data_2kbt_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 2kbt _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 ' 785' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.991 -0.844 . . . . 72.340000000000003 110.991 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 6.7 p -153.88 174.45 14.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.757 . . . . 73.0 110.354 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -140.74 108.52 5.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 71.329999999999998 109.289 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 788' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -75.05 118.35 17.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 71.040000000000006 109.325 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -62.3 142.55 57.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 64.510000000000005 109.378 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 790' ' ' ARG . . . . . 0.439 ' HG3' ' CG ' ' A' ' 838' ' ' GLU . 14.0 mmt85 -116.6 -2.3 11.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 64.140000000000001 110.291 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 791' ' ' TYR . . . . . 0.421 ' CA ' ' HG3' ' A' ' 805' ' ' GLU . 81.4 m-85 -145.25 133.71 21.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 70.439999999999998 110.994 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -67.7 98.14 0.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 72.129999999999995 109.265 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 793' ' ' PHE . . . . . 0.459 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.2 t80 -84.86 173.97 10.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 75.099999999999994 110.964 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 64.6 m -152.36 105.7 3.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 73.430000000000007 108.26 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -68.14 118.53 11.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 63.109999999999999 109.305 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -87.18 -12.15 47.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 73.430000000000007 110.291 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -134.67 -172.83 3.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 73.420000000000002 109.3 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.29 -13.54 23.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 71.430000000000007 110.245 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 44.5 p -87.72 -6.46 58.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 64.430000000000007 109.948 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -100.4 149.59 23.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 75.310000000000002 110.302 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 801' ' ' LEU . . . . . 0.529 HD13 ' CD1' ' A' ' 832' ' ' PHE . 0.9 OUTLIER -87.52 137.46 32.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 71.439999999999998 109.296 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 1.5 p -86.8 96.54 10.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 61.420000000000002 109.984 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 803' ' ' LEU . . . . . 0.468 ' CD1' HG12 ' A' ' 809' ' ' ILE . 0.9 OUTLIER -89.46 159.59 17.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 73.530000000000001 109.345 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -162.74 117.37 1.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 71.209999999999994 109.302 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 805' ' ' GLU . . . . . 0.421 ' HG3' ' CA ' ' A' ' 791' ' ' TYR . 5.5 mt-10 -41.95 138.12 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 72.400000000000006 110.274 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 83.67 8.1 85.09 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.538 1.149 . . . . 72.209999999999994 111.008 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -113.85 163.04 15.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 74.319999999999993 109.334 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 808' ' ' ILE . . . . . 0.425 ' CD1' ' N ' ' A' ' 808' ' ' ILE . 0.0 OUTLIER -113.95 146.06 19.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 74.239999999999995 109.263 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 809' ' ' ILE . . . . . 0.591 ' CG2' ' CZ ' ' A' ' 832' ' ' PHE . 1.7 mp -113.74 114.75 47.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 74.200000000000003 109.294 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 810' ' ' LYS . . . . . 0.42 ' HD2' ' N ' ' A' ' 811' ' ' ILE . 13.4 tptt -68.81 114.91 7.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 70.450000000000003 109.343 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 811' ' ' ILE . . . . . 0.42 ' N ' ' HD2' ' A' ' 810' ' ' LYS . 3.1 mm -73.7 130.83 35.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 75.519999999999996 109.284 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 812' ' ' LEU . . . . . . . . . . . . . 1.7 mt -121.19 -44.13 2.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 74.25 109.301 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -141.52 152.23 43.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.165 . . . . 75.439999999999998 109.261 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 814' ' ' LYS . . . . . 0.563 ' HG2' ' CD1' ' A' ' 821' ' ' TRP . 19.1 mttp . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 72.400000000000006 109.309 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.971 -0.852 . . . . 63.240000000000002 110.971 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 820' ' ' TRP . . . . . 0.516 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.33 172.67 12.37 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.026 -1.101 . . . . 75.349999999999994 108.026 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 821' ' ' TRP . . . . . 0.563 ' CD1' ' HG2' ' A' ' 814' ' ' LYS . 15.6 m0 -128.02 147.29 50.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 72.349999999999994 108.018 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 822' ' ' ARG . . . . . . . . . . . . . 6.6 ttm-85 -97.89 116.05 29.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 74.120000000000005 110.279 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -144.2 -172.26 14.76 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.491 1.119 . . . . 62.420000000000002 111.01 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 824' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -143.41 167.81 21.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.774 . . . . 74.019999999999996 110.258 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 825' ' ' ILE . . . . . 0.463 HD11 ' CD1' ' A' ' 809' ' ' ILE . 2.2 mt -157.39 123.18 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 72.25 109.282 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 8.3 m-30 57.85 20.9 7.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 75.549999999999997 111.012 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 92.55 13.78 56.47 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.463 1.102 . . . . 73.319999999999993 111.018 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -104.93 111.71 24.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 0.751 . . . . 73.219999999999999 110.272 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 829' ' ' ILE . . . . . . . . . . . . . 3.4 mm -88.29 155.13 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.11 . . . . 75.129999999999995 109.301 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 169.54 -169.7 42.2 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 62.210000000000001 110.988 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 831' ' ' TRP . . . . . 0.516 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 73.2 m95 -120.89 150.85 40.42 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.018 -1.105 . . . . 74.25 108.018 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 832' ' ' PHE . . . . . 0.591 ' CZ ' ' CG2' ' A' ' 809' ' ' ILE . 30.5 p90 -153.81 152.44 26.99 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 75.420000000000002 111.009 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 147.93 34.69 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.465 1.771 . . . . 71.239999999999995 111.026 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 834' ' ' SER . . . . . 0.551 ' HB2' ' CE3' ' A' ' 821' ' ' TRP . 7.4 t -89.69 3.88 51.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 63.219999999999999 109.996 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -94.28 -13.46 26.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 73.239999999999995 109.278 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -110.52 -2.09 16.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 65.140000000000001 110.978 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 13.8 m -125.97 169.61 17.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 72.420000000000002 109.305 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 838' ' ' GLU . . . . . 0.439 ' CG ' ' HG3' ' A' ' 790' ' ' ARG . 6.1 mm-40 -137.23 124.7 22.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 73.209999999999994 110.325 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.37 175.2 5.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 74.310000000000002 110.294 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 32.6 t70 40.55 51.64 2.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 70.129999999999995 109.299 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 841' ' ' TYR . . . . . . . . . . . . . 22.9 p90 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 74.230000000000004 111.015 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.973 -0.851 . . . . 71.230000000000004 110.973 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 2.3 p -155.66 170.71 21.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 0.742 . . . . 75.519999999999996 110.373 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -144.92 110.19 5.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 75.349999999999994 109.356 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 788' ' ' LYS . . . . . 0.559 ' HB2' ' CE2' ' A' ' 841' ' ' TYR . 11.9 tttt -73.38 116.12 13.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 70.299999999999997 109.331 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -60.41 133.56 56.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 53.119999999999997 109.27 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 790' ' ' ARG . . . . . 0.46 ' CG ' ' HG3' ' A' ' 838' ' ' GLU . 6.1 mmp_? -107.34 -5.37 17.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 74.319999999999993 110.36 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 791' ' ' TYR . . . . . 0.45 ' CA ' ' HG3' ' A' ' 805' ' ' GLU . 71.7 m-85 -153.42 128.43 9.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.112 . . . . 73.200000000000003 110.99 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.16 108.39 1.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 70.400000000000006 109.28 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 793' ' ' PHE . . . . . 0.447 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.2 t80 -98.82 116.22 30.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 74.120000000000005 110.994 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 4.3 m -82.52 113.51 20.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 75.450000000000003 108.305 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -74.96 105.0 5.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 65.120000000000005 109.308 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -53.39 -22.94 8.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 74.349999999999994 110.315 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -161.12 178.97 8.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 74.209999999999994 109.324 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 54.8 mtp85 -67.43 -10.11 48.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 72.409999999999997 110.295 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 57.4 p -74.13 -10.15 59.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 70.219999999999999 110.034 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -120.98 159.91 24.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 71.129999999999995 110.257 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 801' ' ' LEU . . . . . 0.403 HD23 ' N ' ' A' ' 802' ' ' SER . 0.9 OUTLIER -94.87 137.62 33.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 75.450000000000003 109.296 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 802' ' ' SER . . . . . 0.403 ' N ' HD23 ' A' ' 801' ' ' LEU . 1.0 OUTLIER -83.44 105.82 14.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 65.420000000000002 109.946 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 803' ' ' LEU . . . . . 0.447 ' HB2' ' CB ' ' A' ' 793' ' ' PHE . 0.9 OUTLIER -98.32 156.01 16.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 74.010000000000005 109.276 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 804' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 805' ' ' GLU . 1.0 OUTLIER -155.95 113.09 3.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 72.219999999999999 109.287 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 805' ' ' GLU . . . . . 0.45 ' HG3' ' CA ' ' A' ' 791' ' ' TYR . 7.1 mt-10 -38.79 133.68 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 72.040000000000006 110.298 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 89.85 -1.82 81.32 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.513 1.133 . . . . 71.430000000000007 110.979 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -102.09 164.49 11.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 0.79 . . . . 75.340000000000003 109.322 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 808' ' ' ILE . . . . . 0.474 ' N ' ' CD1' ' A' ' 808' ' ' ILE . 0.0 OUTLIER -113.55 145.55 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 74.420000000000002 109.322 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 809' ' ' ILE . . . . . 0.65 ' CG2' ' CZ ' ' A' ' 832' ' ' PHE . 1.4 mp -115.86 115.66 49.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 74.430000000000007 109.328 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 810' ' ' LYS . . . . . 0.412 ' HD2' ' N ' ' A' ' 811' ' ' ILE . 5.6 tptm -70.02 114.22 7.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 73.219999999999999 109.281 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 811' ' ' ILE . . . . . 0.412 ' N ' ' HD2' ' A' ' 810' ' ' LYS . 12.2 mm -73.95 117.18 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 73.219999999999999 109.315 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 812' ' ' LEU . . . . . . . . . . . . . 1.2 mt -106.94 -53.38 2.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 75.200000000000003 109.295 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -124.71 164.54 19.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 71.299999999999997 109.299 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 814' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 73.209999999999994 109.317 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.041 -0.824 . . . . 62.130000000000003 111.041 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 820' ' ' TRP . . . . . 0.554 ' CE3' ' HB3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.37 172.75 12.27 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.021 -1.103 . . . . 73.239999999999995 108.021 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 821' ' ' TRP . . . . . 0.598 ' CH2' ' OG ' ' A' ' 834' ' ' SER . 41.8 m0 -128.06 144.72 51.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 73.549999999999997 108.008 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 822' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -94.64 103.38 15.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 64.430000000000007 110.32 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -130.09 -174.58 13.74 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.532 1.145 . . . . 73.510000000000005 110.983 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 824' ' ' GLU . . . . . 0.46 ' HB3' ' CD1' ' A' ' 829' ' ' ILE . 1.6 pt-20 -143.46 168.7 19.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 0.786 . . . . 74.120000000000005 110.31 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 825' ' ' ILE . . . . . 0.461 HD12 ' CD1' ' A' ' 809' ' ' ILE . 2.3 mt -156.37 123.62 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 71.109999999999999 109.318 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 826' ' ' TYR . . . . . 0.445 ' CD1' ' N ' ' A' ' 826' ' ' TYR . 5.4 m-30 58.98 20.2 7.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 75.150000000000006 111.048 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 93.54 11.3 58.33 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.5 1.125 . . . . 71.109999999999999 110.997 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -103.48 113.6 27.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 0.761 . . . . 75.510000000000005 110.26 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 829' ' ' ILE . . . . . 0.46 ' CD1' ' HB3' ' A' ' 824' ' ' GLU . 3.6 mm -88.04 157.05 3.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 74.329999999999998 109.315 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 171.51 -170.29 43.21 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.473 1.108 . . . . 53.329999999999998 110.991 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 831' ' ' TRP . . . . . 0.554 ' HB3' ' CE3' ' A' ' 820' ' ' TRP . 81.3 m95 -120.83 146.89 46.08 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.056 -1.09 . . . . 74.510000000000005 108.056 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 832' ' ' PHE . . . . . 0.65 ' CZ ' ' CG2' ' A' ' 809' ' ' ILE . 30.9 p90 -153.57 152.39 27.22 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 74.200000000000003 110.988 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 148.31 35.29 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.46 1.769 . . . . 72.140000000000001 111.008 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 834' ' ' SER . . . . . 0.598 ' OG ' ' CH2' ' A' ' 821' ' ' TRP . 6.4 t -87.49 3.9 45.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 71.239999999999995 110.003 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -99.8 -9.95 22.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 75.129999999999995 109.304 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -107.38 -4.62 18.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 74.430000000000007 111.009 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . 0.507 HG11 ' CD2' ' A' ' 832' ' ' PHE . 15.6 m -119.28 178.74 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 74.319999999999993 109.329 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 838' ' ' GLU . . . . . 0.46 ' HG3' ' CG ' ' A' ' 790' ' ' ARG . 7.3 mt-10 -111.72 173.17 6.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 75.329999999999998 110.302 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 839' ' ' GLU . . . . . 0.434 ' C ' ' N ' ' A' ' 841' ' ' TYR . 11.1 mp0 -149.79 131.66 15.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 72.209999999999994 110.293 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 30.6 t70 40.61 29.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 75.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 841' ' ' TYR . . . . . 0.559 ' CE2' ' HB2' ' A' ' 788' ' ' LYS . 21.1 p90 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 74.120000000000005 111.05 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.032 -0.827 . . . . 63.25 111.032 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 4.7 p -148.76 175.74 10.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 74.109999999999999 110.405 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 787' ' ' ALA . . . . . 0.424 ' CB ' ' O ' ' A' ' 838' ' ' GLU . . . -143.7 110.34 5.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 72.299999999999997 109.264 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 788' ' ' LYS . . . . . 0.556 ' HB2' ' CE2' ' A' ' 841' ' ' TYR . 10.4 tttt -74.79 115.74 14.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 74.420000000000002 109.275 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -53.92 135.62 42.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 70.299999999999997 109.269 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 790' ' ' ARG . . . . . 0.466 ' CG ' ' HG3' ' A' ' 838' ' ' GLU . 17.3 mmt180 -108.4 -5.79 16.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 64.5 110.31 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 791' ' ' TYR . . . . . 0.435 ' CA ' ' HG3' ' A' ' 805' ' ' GLU . 95.0 m-85 -144.86 135.68 24.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 74.329999999999998 110.953 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -68.5 96.71 0.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 75.340000000000003 109.278 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 793' ' ' PHE . . . . . 0.44 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.1 t80 -84.07 174.78 10.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 74.439999999999998 110.99 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 34.9 t -152.28 109.29 3.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 71.099999999999994 108.274 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -75.01 137.41 41.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 74.040000000000006 109.323 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 796' ' ' ARG . . . . . 0.42 ' HD3' ' N ' ' A' ' 797' ' ' ASP . 0.0 OUTLIER -117.28 -9.38 10.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 73.409999999999997 110.299 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 797' ' ' ASP . . . . . 0.42 ' N ' ' HD3' ' A' ' 796' ' ' ARG . 15.6 t0 -143.88 166.8 23.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 73.430000000000007 109.26 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 17.2 mmt85 -73.79 -8.02 54.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 74.25 110.27 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 84.9 p -92.36 12.33 22.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 70.140000000000001 109.958 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -129.97 151.78 50.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 74.109999999999999 110.249 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 801' ' ' LEU . . . . . 0.414 ' CD1' ' C ' ' A' ' 823' ' ' GLY . 0.9 OUTLIER -100.6 137.56 38.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 73.129999999999995 109.31 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 802' ' ' SER . . . . . 0.401 ' N ' HD22 ' A' ' 801' ' ' LEU . 0.6 OUTLIER -78.15 104.87 9.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 73.409999999999997 110.004 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 803' ' ' LEU . . . . . 0.456 HD12 ' CG1' ' A' ' 809' ' ' ILE . 1.2 mp -102.97 150.14 23.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 71.340000000000003 109.281 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -155.69 117.44 4.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 75.049999999999997 109.342 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 805' ' ' GLU . . . . . 0.435 ' HG3' ' CA ' ' A' ' 791' ' ' TYR . 9.8 mt-10 -39.16 134.42 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 62.219999999999999 110.274 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 88.87 -0.16 82.0 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.516 1.135 . . . . 75.230000000000004 110.986 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -103.39 158.34 16.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.77 . . . . 74.219999999999999 109.298 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 808' ' ' ILE . . . . . 0.505 ' N ' ' CD1' ' A' ' 808' ' ' ILE . 0.0 OUTLIER -108.42 141.27 24.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 75.140000000000001 109.318 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 809' ' ' ILE . . . . . 0.653 ' CG2' ' CZ ' ' A' ' 832' ' ' PHE . 1.6 mp -112.15 115.4 49.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 75.430000000000007 109.308 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 810' ' ' LYS . . . . . 0.414 ' HD2' ' N ' ' A' ' 811' ' ' ILE . 5.9 tptm -71.59 114.23 9.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 74.409999999999997 109.273 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 811' ' ' ILE . . . . . 0.414 ' N ' ' HD2' ' A' ' 810' ' ' LYS . 19.3 mm -76.61 128.58 37.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 72.120000000000005 109.342 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 812' ' ' LEU . . . . . 0.412 ' CD2' ' HG3' ' A' ' 810' ' ' LYS . 0.8 OUTLIER -119.31 -41.29 2.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 74.329999999999998 109.335 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -137.5 149.65 46.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 71.439999999999998 109.312 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 814' ' ' LYS . . . . . 0.507 ' HD3' ' CE2' ' A' ' 821' ' ' TRP . 19.3 mttm . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 75.25 109.286 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 110.964 -0.854 . . . . 61.509999999999998 110.964 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 820' ' ' TRP . . . . . 0.715 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.31 172.8 12.2 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.992 -1.114 . . . . 75.420000000000002 107.992 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 821' ' ' TRP . . . . . 0.586 ' CH2' ' OE1' ' A' ' 839' ' ' GLU . 21.9 m0 -129.9 138.4 50.9 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.989 -1.115 . . . . 73.120000000000005 107.989 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 822' ' ' ARG . . . . . 0.429 ' HG3' ' CE2' ' A' ' 831' ' ' TRP . 3.9 ttt180 -87.28 117.32 25.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 74.129999999999995 110.268 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 823' ' ' GLY . . . . . 0.414 ' C ' ' CD1' ' A' ' 801' ' ' LEU . . . -139.95 -166.99 10.85 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.528 1.142 . . . . 64.349999999999994 111.027 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 824' ' ' GLU . . . . . 0.46 ' HB2' ' CD1' ' A' ' 829' ' ' ILE . 19.2 tt0 -155.9 156.79 35.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 0.776 . . . . 74.450000000000003 110.33 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 825' ' ' ILE . . . . . 0.569 HG23 ' CE1' ' A' ' 826' ' ' TYR . 2.7 mt -147.35 126.34 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.122 . . . . 70.120000000000005 109.312 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 826' ' ' TYR . . . . . 0.569 ' CE1' HG23 ' A' ' 825' ' ' ILE . 3.2 m-30 60.03 21.82 10.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 75.439999999999998 110.993 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 90.54 8.46 65.82 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.501 1.126 . . . . 72.540000000000006 111.021 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 62.1 mtm180 -99.52 115.08 28.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 0.78 . . . . 75.450000000000003 110.262 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 829' ' ' ILE . . . . . 0.46 ' CD1' ' HB2' ' A' ' 824' ' ' GLU . 2.7 mm -87.4 155.91 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 70.140000000000001 109.264 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 173.14 -165.55 37.79 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.537 1.148 . . . . 72.120000000000005 111.062 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 831' ' ' TRP . . . . . 0.715 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 57.1 m95 -128.58 151.8 49.05 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.989 -1.115 . . . . 74.439999999999998 107.989 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 832' ' ' PHE . . . . . 0.653 ' CZ ' ' CG2' ' A' ' 809' ' ' ILE . 30.5 p90 -156.51 153.43 24.84 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.434 1.084 . . . . 73.510000000000005 111.016 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 148.24 34.83 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.478 1.778 . . . . 72.530000000000001 111.003 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 834' ' ' SER . . . . . 0.566 ' HB2' ' CZ3' ' A' ' 821' ' ' TRP . 48.5 p -88.74 3.97 49.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 61.420000000000002 109.971 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -97.47 -12.15 22.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.108 . . . . 73.549999999999997 109.283 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -109.75 -3.33 16.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 74.219999999999999 110.972 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . 0.414 HG11 ' CD2' ' A' ' 832' ' ' PHE . 16.5 m -121.78 171.29 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 74.129999999999995 109.315 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 838' ' ' GLU . . . . . 0.466 ' HG3' ' CG ' ' A' ' 790' ' ' ARG . 5.5 mt-10 -114.31 178.82 4.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 75.319999999999993 110.347 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 839' ' ' GLU . . . . . 0.586 ' OE1' ' CH2' ' A' ' 821' ' ' TRP . 5.1 mt-10 -158.41 140.3 13.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 72.319999999999993 110.327 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 840' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 839' ' ' GLU . 26.5 t0 40.47 29.92 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 71.140000000000001 109.28 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 841' ' ' TYR . . . . . 0.556 ' CE2' ' HB2' ' A' ' 788' ' ' LYS . 21.6 p90 . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.517 1.135 . . . . 71.420000000000002 110.963 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 785' ' ' GLY . . . . . 0.436 ' O ' ' CG2' ' A' ' 786' ' ' THR . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.947 -0.861 . . . . 74.310000000000002 110.947 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 786' ' ' THR . . . . . 0.436 ' CG2' ' O ' ' A' ' 785' ' ' GLY . 2.3 p -157.69 179.48 9.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.766 . . . . 73.040000000000006 110.364 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -142.24 108.43 5.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 64.540000000000006 109.309 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 788' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 838' ' ' GLU . 10.9 tttt -74.29 115.48 13.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 63.520000000000003 109.317 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -60.88 137.69 58.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 74.340000000000003 109.259 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 790' ' ' ARG . . . . . 0.405 ' NE ' ' HA ' ' A' ' 790' ' ' ARG . 6.4 mmp_? -111.89 -5.6 14.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 75.450000000000003 110.309 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 791' ' ' TYR . . . . . 0.438 ' CA ' ' HG3' ' A' ' 805' ' ' GLU . 96.9 m-85 -150.51 128.18 11.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 73.319999999999993 111.001 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.9 112.32 3.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 74.420000000000002 109.284 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 793' ' ' PHE . . . . . 0.462 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.1 t80 -102.95 114.78 29.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 73.420000000000002 111.001 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 17.6 t -82.39 123.21 28.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 72.209999999999994 108.294 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -86.48 140.55 29.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 71.439999999999998 109.28 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 796' ' ' ARG . . . . . 0.487 ' CZ ' ' CG ' ' A' ' 797' ' ' ASP . 0.0 OUTLIER -118.05 -7.28 10.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 74.530000000000001 110.32 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 797' ' ' ASP . . . . . 0.487 ' CG ' ' CZ ' ' A' ' 796' ' ' ARG . 0.9 OUTLIER -147.15 165.25 30.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 75.219999999999999 109.315 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -70.4 -10.14 58.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 75.349999999999994 110.277 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 7.5 p -84.79 -17.04 39.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 64.329999999999998 109.973 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -99.59 150.09 22.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 73.409999999999997 110.322 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 801' ' ' LEU . . . . . 0.416 ' HB2' ' N ' ' A' ' 831' ' ' TRP . 0.8 OUTLIER -103.32 139.77 38.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 72.239999999999995 109.28 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 802' ' ' SER . . . . . 0.407 ' N ' HD23 ' A' ' 801' ' ' LEU . 4.7 t -83.07 111.24 18.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 61.32 110.013 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 803' ' ' LEU . . . . . 0.462 ' HB2' ' CB ' ' A' ' 793' ' ' PHE . 0.7 OUTLIER -103.93 161.31 14.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 72.439999999999998 109.31 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -159.03 111.76 2.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 70.120000000000005 109.281 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 805' ' ' GLU . . . . . 0.438 ' HG3' ' CA ' ' A' ' 791' ' ' TYR . 5.9 mt-10 -38.94 136.32 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 72.140000000000001 110.32 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 86.27 4.83 83.43 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.459 1.099 . . . . 71.329999999999998 110.986 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -106.04 164.54 11.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 0.8 . . . . 54.25 109.339 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 808' ' ' ILE . . . . . 0.533 ' N ' ' CD1' ' A' ' 808' ' ' ILE . 0.0 OUTLIER -113.06 144.13 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 75.510000000000005 109.278 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 809' ' ' ILE . . . . . 0.644 ' CG2' ' CZ ' ' A' ' 832' ' ' PHE . 1.5 mp -117.79 116.11 50.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 72.450000000000003 109.344 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 810' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 811' ' ' ILE . 5.7 tptm -74.91 114.17 13.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 73.439999999999998 109.28 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 811' ' ' ILE . . . . . 0.417 ' N ' ' HD2' ' A' ' 810' ' ' LYS . 2.9 mm -70.77 128.28 33.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 54.130000000000003 109.271 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 812' ' ' LEU . . . . . . . . . . . . . 1.1 mt -121.47 -50.5 2.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 74.540000000000006 109.316 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 813' ' ' ASN . . . . . 0.462 ' CB ' ' HB3' ' A' ' 822' ' ' ARG . 2.6 t30 -129.02 88.2 2.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 74.540000000000006 109.281 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 814' ' ' LYS . . . . . 0.419 ' HG3' ' NE1' ' A' ' 821' ' ' TRP . 2.1 ttpm? . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 64.340000000000003 109.294 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.968 -0.853 . . . . 61.310000000000002 110.968 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 820' ' ' TRP . . . . . 0.739 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.4 OUTLIER -142.32 171.85 13.5 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.003 -1.11 . . . . 64.219999999999999 108.003 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 821' ' ' TRP . . . . . 0.588 ' O ' ' CE1' ' A' ' 832' ' ' PHE . 43.0 m0 -126.96 134.16 50.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 75.120000000000005 108.007 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 822' ' ' ARG . . . . . 0.462 ' HB3' ' CB ' ' A' ' 813' ' ' ASN . 5.4 ttm180 -88.44 102.96 15.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 64.510000000000005 110.291 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -127.43 -169.92 12.76 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.517 1.136 . . . . 73.430000000000007 110.973 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 824' ' ' GLU . . . . . 0.464 ' HB2' ' CD1' ' A' ' 829' ' ' ILE . 0.7 OUTLIER -151.49 149.69 29.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 0.792 . . . . 75.409999999999997 110.237 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 825' ' ' ILE . . . . . 0.468 HD11 ' CD1' ' A' ' 809' ' ' ILE . 3.2 mt -139.21 127.73 28.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 71.219999999999999 109.284 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 826' ' ' TYR . . . . . 0.469 ' CD1' ' N ' ' A' ' 826' ' ' TYR . 5.2 m-30 58.64 26.87 15.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 75.329999999999998 111.052 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 84.96 9.62 80.33 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.497 1.123 . . . . 74.230000000000004 111.005 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 56.6 mtt-85 -100.68 116.59 32.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 0.796 . . . . 74.319999999999993 110.319 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 829' ' ' ILE . . . . . 0.464 ' CD1' ' HB2' ' A' ' 824' ' ' GLU . 2.7 mm -87.37 160.55 2.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.464 1.103 . . . . 72.5 109.284 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 165.22 -176.32 40.91 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.526 1.141 . . . . 71.329999999999998 111.018 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 831' ' ' TRP . . . . . 0.739 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 64.6 m95 -117.55 148.9 41.46 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.029 -1.101 . . . . 74.200000000000003 108.029 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 832' ' ' PHE . . . . . 0.644 ' CZ ' ' CG2' ' A' ' 809' ' ' ILE . 38.8 p90 -152.94 152.06 27.5 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 71.530000000000001 110.95 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 147.68 34.27 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.53 1.805 . . . . 73.219999999999999 110.978 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 834' ' ' SER . . . . . 0.56 ' HB2' ' CH2' ' A' ' 821' ' ' TRP . 88.4 p -89.07 3.9 50.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 73.140000000000001 110.01 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 54.8 m-20 -95.55 -10.84 28.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 72.420000000000002 109.287 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -108.87 -7.3 15.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 74.340000000000003 110.998 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . 0.448 ' CG2' ' HA ' ' A' ' 834' ' ' SER . 30.8 m -118.69 176.98 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 74.329999999999998 109.284 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 838' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 788' ' ' LYS . 75.6 mt-10 -147.61 125.6 12.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 75.439999999999998 110.324 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -118.26 178.17 4.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 73.239999999999995 110.341 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 25.9 t0 44.64 40.3 3.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 71.340000000000003 109.275 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 841' ' ' TYR . . . . . . . . . . . . . 28.9 p90 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 73.230000000000004 110.986 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 785' ' ' GLY . . . . . 0.463 ' O ' ' CG2' ' A' ' 786' ' ' THR . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.98 -0.848 . . . . 74.329999999999998 110.98 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 786' ' ' THR . . . . . 0.463 ' CG2' ' O ' ' A' ' 785' ' ' GLY . 2.3 p -158.72 170.07 22.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.76 . . . . 74.540000000000006 110.385 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -147.63 107.39 3.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 73.209999999999994 109.283 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 788' ' ' LYS . . . . . 0.478 ' HB2' ' CZ ' ' A' ' 841' ' ' TYR . 36.9 tttt -65.55 132.45 48.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 74.340000000000003 109.296 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -77.73 128.98 34.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 73.400000000000006 109.299 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 790' ' ' ARG . . . . . 0.46 ' C ' ' CD1' ' A' ' 791' ' ' TYR . 21.9 mmm180 -99.25 -3.79 33.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 61.509999999999998 110.284 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 791' ' ' TYR . . . . . 0.46 ' CD1' ' C ' ' A' ' 790' ' ' ARG . 41.0 m-85 -157.01 128.66 7.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 72.439999999999998 110.993 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.24 118.14 9.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 75.209999999999994 109.295 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 793' ' ' PHE . . . . . 0.464 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.2 t80 -105.74 128.34 53.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 74.430000000000007 111.015 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 55.8 m -92.08 105.06 17.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 73.040000000000006 108.28 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -66.73 111.13 3.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 64.549999999999997 109.281 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.53 -20.57 65.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 73.040000000000006 110.324 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -162.28 -177.82 5.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 73.510000000000005 109.296 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 46.4 mtt-85 -67.51 -11.47 58.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 65.329999999999998 110.307 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 26.4 p -73.12 -10.95 60.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 70.400000000000006 109.964 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -124.55 160.51 28.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 74.5 110.27 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 801' ' ' LEU . . . . . 0.417 HD21 ' N ' ' A' ' 802' ' ' SER . 0.8 OUTLIER -102.6 140.1 37.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 73.409999999999997 109.358 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 802' ' ' SER . . . . . 0.417 ' N ' HD21 ' A' ' 801' ' ' LEU . 9.8 m -78.61 99.5 6.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 64.329999999999998 110.006 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 803' ' ' LEU . . . . . 0.464 ' HB2' ' CB ' ' A' ' 793' ' ' PHE . 1.5 mp -90.45 157.45 17.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 74.420000000000002 109.295 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 2.0 tmtm? -157.07 110.51 2.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 74.150000000000006 109.321 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 805' ' ' GLU . . . . . 0.402 ' HG3' ' CA ' ' A' ' 791' ' ' TYR . 6.3 mt-10 -38.95 134.12 1.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 75.329999999999998 110.292 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 91.53 -7.56 79.79 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 63.310000000000002 111.03 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -97.2 165.42 12.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 64.040000000000006 109.331 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 808' ' ' ILE . . . . . 0.53 ' N ' ' CD1' ' A' ' 808' ' ' ILE . 0.0 OUTLIER -115.46 137.09 50.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 74.219999999999999 109.331 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 809' ' ' ILE . . . . . 0.642 ' CG2' ' CZ ' ' A' ' 832' ' ' PHE . 1.3 mp -107.0 114.99 47.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 75.25 109.334 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 810' ' ' LYS . . . . . 0.406 ' HD2' ' N ' ' A' ' 811' ' ' ILE . 5.7 tptm -69.02 113.77 6.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 75.519999999999996 109.256 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 811' ' ' ILE . . . . . 0.406 ' N ' ' HD2' ' A' ' 810' ' ' LYS . 12.1 mm -74.95 119.82 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 72.409999999999997 109.278 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 812' ' ' LEU . . . . . . . . . . . . . 1.2 mt -110.16 -51.9 2.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 70.530000000000001 109.3 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -122.32 164.57 17.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 74.230000000000004 109.302 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 814' ' ' LYS . . . . . 0.569 ' HA ' ' CD1' ' A' ' 821' ' ' TRP . 2.9 mtmp? . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 74.329999999999998 109.282 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.003 -0.839 . . . . 45.450000000000003 111.003 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 820' ' ' TRP . . . . . 0.739 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.36 172.49 12.62 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.013 -1.106 . . . . 73.400000000000006 108.013 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 821' ' ' TRP . . . . . 0.569 ' CD1' ' HA ' ' A' ' 814' ' ' LYS . 20.4 m0 -129.5 138.36 51.33 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.985 -1.117 . . . . 71.200000000000003 107.985 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 822' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -86.72 126.69 34.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 75.140000000000001 110.301 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -145.27 -159.56 8.17 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.488 1.118 . . . . 74.010000000000005 110.965 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 824' ' ' GLU . . . . . 0.464 ' HB2' ' CD1' ' A' ' 829' ' ' ILE . 0.6 OUTLIER -168.11 148.83 4.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 0.756 . . . . 65.510000000000005 110.312 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 825' ' ' ILE . . . . . 0.555 HG21 ' CD2' ' A' ' 826' ' ' TYR . 2.8 mt -138.07 125.55 29.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 70.510000000000005 109.259 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 826' ' ' TYR . . . . . 0.555 ' CD2' HG21 ' A' ' 825' ' ' ILE . 3.3 m-30 61.18 19.14 9.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 74.019999999999996 111.033 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 98.06 -8.92 63.31 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.505 1.128 . . . . 75.040000000000006 111.014 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -82.02 116.65 21.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 0.766 . . . . 72.409999999999997 110.246 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 829' ' ' ILE . . . . . 0.464 ' CD1' ' HB2' ' A' ' 824' ' ' GLU . 3.1 mm -87.5 156.45 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 74.019999999999996 109.3 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 174.76 -164.98 36.02 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.453 1.096 . . . . 74.140000000000001 111.028 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 831' ' ' TRP . . . . . 0.739 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 44.6 m95 -131.69 169.8 15.68 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.99 -1.115 . . . . 74.099999999999994 107.99 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 832' ' ' PHE . . . . . 0.642 ' CZ ' ' CG2' ' A' ' 809' ' ' ILE . 31.6 p90 -175.79 152.66 1.32 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 73.120000000000005 111.022 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 146.75 32.98 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.493 1.786 . . . . 63.109999999999999 111.023 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 18.8 p -81.69 3.92 23.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 75.340000000000003 109.996 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 21.2 m-20 -97.56 -8.8 28.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 74.209999999999994 109.33 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -109.39 -10.17 14.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 75.200000000000003 110.997 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 30.4 m -117.78 170.58 7.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 73.219999999999999 109.31 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 838' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 788' ' ' LYS . 78.9 mt-10 -144.85 124.91 13.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 72.109999999999999 110.314 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 839' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 840' ' ' ASP . 0.0 OUTLIER -113.75 172.99 6.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 73.329999999999998 110.314 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 840' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 839' ' ' GLU . 25.4 t0 40.48 42.09 1.23 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 71.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 841' ' ' TYR . . . . . 0.478 ' CZ ' ' HB2' ' A' ' 788' ' ' LYS . 39.0 p90 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 75.420000000000002 111.013 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.996 -0.842 . . . . 61.399999999999999 110.996 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 5.5 p -151.48 174.58 13.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 0.772 . . . . 75.230000000000004 110.425 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -140.57 107.88 5.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 74.409999999999997 109.3 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 788' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -74.34 115.58 14.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 74.140000000000001 109.298 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -60.72 132.12 52.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.095 . . . . 75.209999999999994 109.286 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 790' ' ' ARG . . . . . 0.468 ' C ' ' CG ' ' A' ' 791' ' ' TYR . 51.3 mmm-85 -104.58 -5.2 21.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 75.400000000000006 110.308 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 791' ' ' TYR . . . . . 0.468 ' CG ' ' C ' ' A' ' 790' ' ' ARG . 37.3 m-85 -158.09 128.81 6.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 74.129999999999995 110.993 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 7.0 p30 -58.94 124.88 21.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 72.409999999999997 109.302 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 793' ' ' PHE . . . . . 0.554 ' CE2' ' CD ' ' A' ' 800' ' ' GLU . 1.1 t80 -113.69 115.11 27.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 75.530000000000001 110.962 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 60.6 m -84.13 109.86 18.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 72.129999999999995 108.28 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -64.25 98.26 0.22 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 64.209999999999994 109.299 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -63.28 -27.84 69.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 72.319999999999993 110.294 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -135.8 174.74 10.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 62.340000000000003 109.284 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -77.93 -5.04 49.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 75.129999999999995 110.295 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 45.6 p -87.47 -8.87 55.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 70.319999999999993 109.956 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 800' ' ' GLU . . . . . 0.554 ' CD ' ' CE2' ' A' ' 793' ' ' PHE . 32.8 tt0 -105.25 160.49 15.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 74.519999999999996 110.317 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 801' ' ' LEU . . . . . 0.411 ' N ' ' CG ' ' A' ' 800' ' ' GLU . 0.9 OUTLIER -104.17 138.62 40.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 71.200000000000003 109.273 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 1.3 t -79.69 108.33 13.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.092 . . . . 74.510000000000005 110.018 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 803' ' ' LEU . . . . . 0.443 ' HB2' ' CB ' ' A' ' 793' ' ' PHE . 0.5 OUTLIER -100.34 159.46 15.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 73.239999999999995 109.295 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -155.03 112.2 3.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 72.420000000000002 109.308 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -38.86 137.29 0.67 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 75.349999999999994 110.304 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 84.54 7.43 84.56 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.119 . . . . 73.140000000000001 111.008 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -109.85 161.08 15.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.765 . . . . 74.230000000000004 109.306 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 808' ' ' ILE . . . . . 0.438 ' CD1' ' N ' ' A' ' 808' ' ' ILE . 0.0 OUTLIER -112.25 142.55 24.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 72.439999999999998 109.307 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 809' ' ' ILE . . . . . 0.624 ' CG2' ' CZ ' ' A' ' 832' ' ' PHE . 1.8 mp -111.12 114.54 47.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 74.310000000000002 109.298 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 810' ' ' LYS . . . . . 0.418 ' HD2' ' N ' ' A' ' 811' ' ' ILE . 17.4 tptt -69.7 114.13 7.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 74.129999999999995 109.305 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 811' ' ' ILE . . . . . 0.418 ' N ' ' HD2' ' A' ' 810' ' ' LYS . 14.3 mm -74.7 126.85 36.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 64.109999999999999 109.305 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 812' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -117.63 -40.14 3.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 74.219999999999999 109.274 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -137.65 145.35 42.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 64.319999999999993 109.287 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 814' ' ' LYS . . . . . 0.45 ' HG2' ' CD1' ' A' ' 821' ' ' TRP . 14.9 mtmm . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 74.430000000000007 109.291 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.991 -0.843 . . . . 63.130000000000003 110.991 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 820' ' ' TRP . . . . . 0.467 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.34 172.9 12.06 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.981 -1.118 . . . . 75.420000000000002 107.981 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 821' ' ' TRP . . . . . 0.454 ' CZ3' ' HG3' ' A' ' 839' ' ' GLU . 7.9 m0 -133.01 147.43 52.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 74.340000000000003 107.977 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 822' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -88.94 153.98 20.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 75.540000000000006 110.319 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 178.49 -170.0 41.84 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.525 1.141 . . . . 73.239999999999995 111.007 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 824' ' ' GLU . . . . . 0.499 ' CG ' ' N ' ' A' ' 825' ' ' ILE . 20.3 tt0 -153.66 159.26 42.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 0.778 . . . . 75.230000000000004 110.305 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 825' ' ' ILE . . . . . 0.499 ' N ' ' CG ' ' A' ' 824' ' ' GLU . 2.9 mt -151.74 134.65 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 74.510000000000005 109.286 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 826' ' ' TYR . . . . . 0.429 ' CD1' ' N ' ' A' ' 826' ' ' TYR . 10.1 m-30 55.79 17.27 2.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 70.019999999999996 111.028 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 90.4 22.3 35.01 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.129 . . . . 74.200000000000003 110.975 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . 0.421 ' N ' ' HG3' ' A' ' 824' ' ' GLU . 15.8 mmt-85 -114.74 116.95 29.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 0.776 . . . . 72.420000000000002 110.272 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 829' ' ' ILE . . . . . 0.473 ' CD1' ' HB2' ' A' ' 824' ' ' GLU . 2.8 mm -87.28 152.91 3.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 75.239999999999995 109.311 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 171.95 -165.59 38.37 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.48 1.113 . . . . 52.009999999999998 111.015 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 831' ' ' TRP . . . . . 0.467 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 55.6 m95 -125.84 165.66 18.28 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.007 -1.108 . . . . 73.409999999999997 108.007 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 832' ' ' PHE . . . . . 0.624 ' CZ ' ' CG2' ' A' ' 809' ' ' ILE . 34.2 p90 -166.64 154.2 8.92 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 75.200000000000003 110.98 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 148.36 35.14 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.499 1.789 . . . . 72.510000000000005 111.017 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 834' ' ' SER . . . . . 0.464 ' HA ' ' CG2' ' A' ' 837' ' ' VAL . 19.6 p -88.55 3.91 48.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 74.299999999999997 109.984 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -95.45 -13.39 24.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 74.450000000000003 109.323 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -110.07 -8.13 14.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 75.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . 0.464 ' CG2' ' HA ' ' A' ' 834' ' ' SER . 23.2 m -117.43 168.2 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 74.329999999999998 109.267 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 838' ' ' GLU . . . . . 0.464 ' HG3' ' CG ' ' A' ' 790' ' ' ARG . 5.3 mt-10 -110.79 172.87 6.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 70.319999999999993 110.271 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 839' ' ' GLU . . . . . 0.454 ' HG3' ' CZ3' ' A' ' 821' ' ' TRP . 13.1 mm-40 -153.41 139.67 18.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 73.420000000000002 110.283 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 21.0 t70 40.44 29.96 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 75.140000000000001 109.355 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 841' ' ' TYR . . . . . 0.433 ' N ' ' C ' ' A' ' 839' ' ' GLU . 19.2 p90 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 73.540000000000006 111.037 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.988 -0.845 . . . . 54.329999999999998 110.988 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 2.8 p -147.92 166.04 28.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 0.754 . . . . 73.310000000000002 110.405 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 787' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 809' ' ' ILE . . . -144.86 120.89 10.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 72.129999999999995 109.348 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 788' ' ' LYS . . . . . . . . . . . . . 17.5 mtpt -75.32 156.92 35.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 75.150000000000006 109.314 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -95.07 126.77 40.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 65.25 109.287 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 790' ' ' ARG . . . . . 0.519 ' C ' ' CD1' ' A' ' 791' ' ' TYR . 5.4 mmm180 -105.17 3.08 29.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 75.349999999999994 110.287 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 791' ' ' TYR . . . . . 0.519 ' CD1' ' C ' ' A' ' 790' ' ' ARG . 55.6 m-85 -153.44 130.53 11.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 73.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -67.48 96.74 0.53 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 72.420000000000002 109.284 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 793' ' ' PHE . . . . . 0.455 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.1 t80 -84.54 176.15 8.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 75.010000000000005 111.038 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 4.4 p -152.24 105.61 3.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 73.140000000000001 108.285 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -69.22 130.79 43.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 71.519999999999996 109.285 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -101.8 -19.5 15.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.147 . . . . 73.049999999999997 110.293 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -143.3 172.92 12.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 75.430000000000007 109.295 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -73.08 -11.69 60.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 73.099999999999994 110.293 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 74.9 p -84.91 8.65 16.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 55.530000000000001 109.978 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -131.56 150.31 52.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 65.310000000000002 110.293 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 801' ' ' LEU . . . . . 0.419 HD12 ' N ' ' A' ' 824' ' ' GLU . 0.7 OUTLIER -96.06 141.27 29.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 74.019999999999996 109.306 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 802' ' ' SER . . . . . 0.416 ' N ' HD22 ' A' ' 801' ' ' LEU . 1.8 m -82.21 95.4 7.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 74.230000000000004 110.038 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 803' ' ' LEU . . . . . 0.46 HD13 ' CG1' ' A' ' 809' ' ' ILE . 1.3 mp -88.69 153.01 21.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 73.120000000000005 109.315 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 13.4 tptp -160.28 116.32 2.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 73.109999999999999 109.314 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 805' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 791' ' ' TYR . 4.8 mt-10 -39.98 137.25 0.99 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 74.430000000000007 110.302 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 84.3 7.13 85.4 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 70.530000000000001 111.051 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -113.52 158.68 20.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 74.230000000000004 109.284 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 808' ' ' ILE . . . . . 0.545 ' N ' ' CD1' ' A' ' 808' ' ' ILE . 0.0 OUTLIER -108.5 151.47 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 73.329999999999998 109.309 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 809' ' ' ILE . . . . . 0.566 HG21 ' CE1' ' A' ' 832' ' ' PHE . 1.3 mp -121.83 116.14 48.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 72.430000000000007 109.283 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 810' ' ' LYS . . . . . . . . . . . . . 8.0 tptm -73.8 112.7 10.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 74.439999999999998 109.279 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 811' ' ' ILE . . . . . 0.492 ' CG2' ' NZ ' ' A' ' 814' ' ' LYS . 14.7 mm -70.34 122.6 22.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 72.409999999999997 109.328 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 812' ' ' LEU . . . . . . . . . . . . . 2.0 mt -116.04 -46.15 2.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 72.120000000000005 109.348 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -122.28 151.19 41.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 73.200000000000003 109.322 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 814' ' ' LYS . . . . . 0.538 ' HG3' ' CD1' ' A' ' 821' ' ' TRP . 2.8 tppt? . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 74.439999999999998 109.342 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.973 -0.851 . . . . 73.409999999999997 110.973 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 820' ' ' TRP . . . . . 0.456 ' CZ3' ' CG ' ' A' ' 831' ' ' TRP . 1.1 p-90 -142.42 118.49 10.68 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.995 -1.113 . . . . 73.140000000000001 107.995 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 821' ' ' TRP . . . . . 0.538 ' CD1' ' HG3' ' A' ' 814' ' ' LYS . 15.4 m0 -91.97 164.66 13.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 74.109999999999999 108.023 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 822' ' ' ARG . . . . . 0.568 ' HG3' ' CD1' ' A' ' 831' ' ' TRP . 30.3 ttt180 -121.56 121.79 38.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 75.439999999999998 110.304 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -133.97 -149.98 6.13 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.549 1.156 . . . . 75.420000000000002 111.012 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 824' ' ' GLU . . . . . 0.465 ' HB2' ' CD1' ' A' ' 829' ' ' ILE . 18.9 tt0 -163.99 153.44 14.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 0.789 . . . . 75.409999999999997 110.287 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 825' ' ' ILE . . . . . 0.556 HG23 ' CE1' ' A' ' 826' ' ' TYR . 2.3 mt -145.27 124.45 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 75.430000000000007 109.283 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 826' ' ' TYR . . . . . 0.556 ' CE1' HG23 ' A' ' 825' ' ' ILE . 2.8 m-30 60.25 25.77 15.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 75.409999999999997 110.966 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 91.07 -5.41 81.66 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.529 1.143 . . . . 61.420000000000002 110.982 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 -85.28 114.37 22.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 0.774 . . . . 75.439999999999998 110.33 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 829' ' ' ILE . . . . . 0.465 ' CD1' ' HB2' ' A' ' 824' ' ' GLU . 3.1 mm -87.45 156.04 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 75.120000000000005 109.293 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 167.91 -165.98 39.1 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.464 1.102 . . . . 71.099999999999994 110.987 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 831' ' ' TRP . . . . . 0.568 ' CD1' ' HG3' ' A' ' 822' ' ' ARG . 21.8 m95 -128.31 -177.88 4.33 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.98 -1.118 . . . . 74.25 107.98 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 832' ' ' PHE . . . . . 0.566 ' CE1' HG21 ' A' ' 809' ' ' ILE . 29.4 p90 -178.34 154.88 0.93 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 70.120000000000005 111.011 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 833' ' ' PRO . . . . . 0.505 ' HG2' ' CG ' ' A' ' 836' ' ' TYR . 18.2 Cg_endo -75.02 148.45 35.23 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.475 1.776 . . . . 74.439999999999998 111.037 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 23.6 p -81.77 4.0 23.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 73.400000000000006 109.965 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 61.6 m-80 -105.39 0.05 26.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 73.549999999999997 109.328 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 836' ' ' TYR . . . . . 0.505 ' CG ' ' HG2' ' A' ' 833' ' ' PRO . 6.4 m-85 -116.16 0.95 13.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 75.219999999999999 110.964 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 6.1 m -139.63 169.84 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 70.310000000000002 109.318 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 838' ' ' GLU . . . . . 0.407 ' O ' ' CB ' ' A' ' 787' ' ' ALA . 19.8 mt-10 -110.04 174.42 5.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 70.25 110.328 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 839' ' ' GLU . . . . . 0.525 ' HG3' ' CZ3' ' A' ' 821' ' ' TRP . 19.0 mm-40 -149.09 138.38 21.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 74.450000000000003 110.316 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 19.9 t0 40.5 29.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 64.319999999999993 109.298 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 841' ' ' TYR . . . . . 0.449 ' N ' ' C ' ' A' ' 839' ' ' GLU . 18.4 p90 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 75.409999999999997 111.03 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.024 -0.83 . . . . 71.409999999999997 111.024 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 2.4 p -155.03 174.6 14.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 70.239999999999995 110.424 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 787' ' ' ALA . . . . . 0.434 ' CB ' HD12 ' A' ' 811' ' ' ILE . . . -144.81 102.99 3.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 74.349999999999994 109.289 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 788' ' ' LYS . . . . . . . . . . . . . 34.5 tttt -66.58 128.3 35.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 72.099999999999994 109.276 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -75.15 124.7 27.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 72.420000000000002 109.299 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 790' ' ' ARG . . . . . 0.456 ' O ' ' CG ' ' A' ' 791' ' ' TYR . 19.9 mmm180 -98.45 1.26 46.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 74.120000000000005 110.273 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 791' ' ' TYR . . . . . 0.456 ' CG ' ' O ' ' A' ' 790' ' ' ARG . 67.4 m-85 -159.55 128.73 5.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 62.340000000000003 110.941 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.37 109.88 2.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 65.299999999999997 109.316 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 793' ' ' PHE . . . . . 0.557 ' CE2' ' CD ' ' A' ' 800' ' ' GLU . 1.1 t80 -99.12 125.18 44.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 72.510000000000005 111.023 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 97.5 m -92.25 113.25 25.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 73.099999999999994 108.294 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -72.83 104.21 3.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 74.239999999999995 109.306 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -75.15 -25.46 58.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 74.120000000000005 110.321 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -131.58 169.72 15.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 64.540000000000006 109.261 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 56.6 mtp180 -75.52 -4.35 39.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 73.310000000000002 110.317 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 97.2 p -87.97 -12.03 45.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 75.239999999999995 109.996 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 800' ' ' GLU . . . . . 0.557 ' CD ' ' CE2' ' A' ' 793' ' ' PHE . 33.4 tt0 -103.01 157.19 17.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 65.519999999999996 110.283 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 801' ' ' LEU . . . . . 0.408 HD21 ' N ' ' A' ' 802' ' ' SER . 0.8 OUTLIER -103.81 140.02 38.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 62.100000000000001 109.326 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 802' ' ' SER . . . . . 0.408 ' N ' HD21 ' A' ' 801' ' ' LEU . 10.9 t -79.45 112.04 16.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 74.420000000000002 109.979 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 803' ' ' LEU . . . . . 0.462 ' HB2' ' CB ' ' A' ' 793' ' ' PHE . 1.1 mp -107.01 158.87 16.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 75.140000000000001 109.269 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -158.41 113.09 2.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 64.349999999999994 109.309 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -38.93 133.16 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 64.019999999999996 110.295 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 94.76 -14.22 65.73 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.465 1.103 . . . . 63.039999999999999 110.977 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -92.76 162.02 14.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 0.737 . . . . 73.549999999999997 109.288 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 808' ' ' ILE . . . . . 0.489 ' N ' ' CD1' ' A' ' 808' ' ' ILE . 0.0 OUTLIER -116.09 136.51 52.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.519 1.137 . . . . 75.329999999999998 109.328 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 809' ' ' ILE . . . . . 0.585 ' CG2' ' CZ ' ' A' ' 832' ' ' PHE . 1.4 mp -102.19 113.67 39.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 73.319999999999993 109.295 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 810' ' ' LYS . . . . . 0.419 ' HD2' ' N ' ' A' ' 811' ' ' ILE . 11.8 tptt -68.31 115.83 8.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 73.019999999999996 109.288 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 811' ' ' ILE . . . . . 0.434 HD12 ' CB ' ' A' ' 787' ' ' ALA . 5.3 mm -78.48 136.25 24.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 70.439999999999998 109.321 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 812' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -126.97 -46.99 1.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 75.340000000000003 109.301 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -135.96 141.28 44.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 73.400000000000006 109.325 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 814' ' ' LYS . . . . . 0.524 ' CD ' ' CE2' ' A' ' 821' ' ' TRP . 11.2 mtmm . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 75.310000000000002 109.285 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.048 -0.821 . . . . 72.040000000000006 111.048 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 820' ' ' TRP . . . . . 0.476 ' CE3' ' HB3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.34 172.81 12.18 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.003 -1.11 . . . . 73.129999999999995 108.003 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 821' ' ' TRP . . . . . 0.564 ' CZ3' ' HB2' ' A' ' 834' ' ' SER . 16.9 m0 -128.46 146.07 50.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 75.319999999999993 108.053 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 822' ' ' ARG . . . . . 0.504 ' HG3' ' CE2' ' A' ' 831' ' ' TRP . 7.6 ttt180 -99.39 111.23 23.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 75.519999999999996 110.264 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -131.18 -154.66 7.93 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.496 1.123 . . . . 62.109999999999999 110.962 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 824' ' ' GLU . . . . . 0.468 ' HB2' ' CD1' ' A' ' 829' ' ' ILE . 0.8 OUTLIER -168.45 149.06 4.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 0.758 . . . . 74.540000000000006 110.293 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 825' ' ' ILE . . . . . 0.565 HG21 ' CE1' ' A' ' 826' ' ' TYR . 3.6 mt -140.01 128.31 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 71.439999999999998 109.287 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 826' ' ' TYR . . . . . 0.565 ' CE1' HG21 ' A' ' 825' ' ' ILE . 3.5 m-30 60.77 21.89 11.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 75.310000000000002 110.992 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 89.71 6.0 70.73 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 74.299999999999997 110.995 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -97.74 118.09 33.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 0.771 . . . . 73.549999999999997 110.305 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 829' ' ' ILE . . . . . 0.468 ' CD1' ' HB2' ' A' ' 824' ' ' GLU . 2.9 mm -87.41 159.51 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.09 . . . . 71.25 109.302 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 169.64 -179.21 42.23 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 61.210000000000001 110.98 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 831' ' ' TRP . . . . . 0.504 ' CE2' ' HG3' ' A' ' 822' ' ' ARG . 80.5 m95 -117.85 150.14 39.68 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.963 -1.125 . . . . 75.519999999999996 107.963 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 832' ' ' PHE . . . . . 0.585 ' CZ ' ' CG2' ' A' ' 809' ' ' ILE . 32.2 p90 -157.02 153.57 24.32 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 74.120000000000005 110.985 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 148.28 35.19 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.462 1.769 . . . . 63.439999999999998 111.008 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 834' ' ' SER . . . . . 0.564 ' HB2' ' CZ3' ' A' ' 821' ' ' TRP . 60.1 p -86.56 3.91 42.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 73.129999999999995 109.999 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -96.43 -11.11 26.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 72.409999999999997 109.317 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -107.95 -4.64 17.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 73.430000000000007 110.994 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . 0.433 ' CG2' ' HA ' ' A' ' 834' ' ' SER . 16.1 m -122.47 -177.35 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 74.420000000000002 109.287 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 838' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -121.96 175.99 6.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 75.019999999999996 110.281 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 839' ' ' GLU . . . . . 0.452 ' HG3' ' CH2' ' A' ' 821' ' ' TRP . 13.4 mm-40 -150.61 138.08 19.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 73.299999999999997 110.318 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 20.0 t0 40.43 29.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 71.299999999999997 109.28 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 841' ' ' TYR . . . . . 0.445 ' N ' ' C ' ' A' ' 839' ' ' GLU . 17.0 p90 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 73.400000000000006 111.019 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.99 -0.844 . . . . 72.329999999999998 110.99 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 2.8 p -149.91 -179.74 7.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.775 . . . . 73.25 110.423 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 787' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' A' ' 838' ' ' GLU . . . -145.23 114.24 6.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 53.210000000000001 109.296 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 788' ' ' LYS . . . . . 0.452 ' HB2' ' CZ ' ' A' ' 841' ' ' TYR . 11.5 tttt -76.28 116.12 16.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 73.030000000000001 109.331 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -56.31 123.85 16.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 65.209999999999994 109.309 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 790' ' ' ARG . . . . . 0.427 ' C ' ' CG ' ' A' ' 791' ' ' TYR . 21.9 mmm180 -99.74 -6.3 27.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 72.310000000000002 110.287 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 791' ' ' TYR . . . . . 0.427 ' CG ' ' C ' ' A' ' 790' ' ' ARG . 68.9 m-85 -157.91 128.42 6.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 74.019999999999996 111.032 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 18.0 p-10 -60.67 121.23 11.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 75.540000000000006 109.321 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 793' ' ' PHE . . . . . 0.452 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.4 t80 -111.88 113.4 25.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 62.119999999999997 111.0 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 25.3 m -81.97 104.53 12.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 63.140000000000001 108.301 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 795' ' ' ALA . . . . . 0.419 ' CB ' ' HB3' ' A' ' 800' ' ' GLU . . . -61.33 98.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 72.230000000000004 109.278 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 2.8 ptp85 -47.9 -23.91 0.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 73.129999999999995 110.297 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -155.47 169.09 25.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 53.240000000000002 109.302 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.24 -16.87 49.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 74.420000000000002 110.269 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -71.74 -13.89 61.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 52.409999999999997 110.009 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 800' ' ' GLU . . . . . 0.419 ' HB3' ' CB ' ' A' ' 795' ' ' ALA . 1.4 tp10 -110.7 149.48 30.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 70.430000000000007 110.271 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 801' ' ' LEU . . . . . 0.412 HD22 ' N ' ' A' ' 802' ' ' SER . 0.8 OUTLIER -84.82 139.45 31.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 75.230000000000004 109.302 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 802' ' ' SER . . . . . 0.412 ' N ' HD22 ' A' ' 801' ' ' LEU . 1.0 OUTLIER -86.83 105.83 17.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 71.120000000000005 109.987 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 803' ' ' LEU . . . . . 0.452 ' HB2' ' CB ' ' A' ' 793' ' ' PHE . 0.5 OUTLIER -94.79 157.48 15.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 75.25 109.258 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -154.43 111.53 3.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 72.540000000000006 109.326 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -38.98 137.77 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 74.420000000000002 110.3 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 83.77 8.44 84.41 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.475 1.109 . . . . 72.450000000000003 110.982 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -112.4 162.8 15.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 74.519999999999996 109.268 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 808' ' ' ILE . . . . . 0.493 ' O ' ' CD1' ' A' ' 825' ' ' ILE . 0.0 OUTLIER -110.24 146.71 15.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 74.510000000000005 109.297 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 809' ' ' ILE . . . . . 0.61 ' CG2' ' CZ ' ' A' ' 832' ' ' PHE . 1.5 mp -118.54 116.61 51.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 72.209999999999994 109.347 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 810' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 811' ' ' ILE . 14.2 tptp -75.93 114.21 14.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 74.129999999999995 109.322 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 811' ' ' ILE . . . . . 0.413 ' N ' ' HD2' ' A' ' 810' ' ' LYS . 3.3 mm -71.33 128.84 34.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 71.439999999999998 109.303 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 812' ' ' LEU . . . . . . . . . . . . . 2.5 mt -120.17 -51.26 2.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 75.219999999999999 109.348 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 813' ' ' ASN . . . . . 0.468 ' CB ' ' HB3' ' A' ' 822' ' ' ARG . 2.9 t30 -122.46 156.6 33.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 64.239999999999995 109.293 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 814' ' ' LYS . . . . . 0.519 ' HD2' ' CD1' ' A' ' 821' ' ' TRP . 1.5 mmmp? . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 62.210000000000001 109.308 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.969 -0.852 . . . . 71.319999999999993 110.969 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 820' ' ' TRP . . . . . 0.712 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.37 172.6 12.47 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.01 -1.107 . . . . 74.239999999999995 108.01 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 821' ' ' TRP . . . . . 0.593 ' O ' ' CE1' ' A' ' 832' ' ' PHE . 41.0 m0 -130.91 131.39 44.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 73.310000000000002 107.982 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 822' ' ' ARG . . . . . 0.468 ' HB3' ' CB ' ' A' ' 813' ' ' ASN . 22.1 ttp180 -87.56 99.92 12.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 75.239999999999995 110.294 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -119.0 -159.15 10.95 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.507 1.129 . . . . 60.039999999999999 111.011 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 824' ' ' GLU . . . . . 0.486 ' CG ' ' N ' ' A' ' 825' ' ' ILE . 19.8 tt0 -161.12 159.14 28.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 0.769 . . . . 63.520000000000003 110.304 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 825' ' ' ILE . . . . . 0.493 ' CD1' ' O ' ' A' ' 808' ' ' ILE . 2.4 mt -151.87 128.84 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 72.230000000000004 109.281 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 826' ' ' TYR . . . . . 0.535 ' CD2' ' NH2' ' A' ' 828' ' ' ARG . 4.8 m-30 58.51 23.93 11.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 55.219999999999999 110.985 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 85.67 17.34 62.04 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.468 1.105 . . . . 52.409999999999997 110.974 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . 0.535 ' NH2' ' CD2' ' A' ' 826' ' ' TYR . 18.8 mtm105 -108.96 114.75 28.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 0.761 . . . . 73.239999999999995 110.346 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 829' ' ' ILE . . . . . 0.471 ' CD1' ' HB2' ' A' ' 824' ' ' GLU . 2.7 mm -87.42 157.56 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 74.439999999999998 109.275 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 174.07 -169.54 42.57 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.526 1.141 . . . . 74.120000000000005 111.0 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 831' ' ' TRP . . . . . 0.712 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 70.6 m95 -126.58 142.32 51.57 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.009 -1.108 . . . . 75.140000000000001 108.009 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 832' ' ' PHE . . . . . 0.61 ' CZ ' ' CG2' ' A' ' 809' ' ' ILE . 38.5 p90 -148.76 150.95 34.34 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 73.420000000000002 111.004 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 833' ' ' PRO . . . . . 0.45 ' HG2' ' CD1' ' A' ' 836' ' ' TYR . 18.4 Cg_endo -74.99 147.47 34.03 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.492 1.785 . . . . 73.349999999999994 111.018 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 834' ' ' SER . . . . . 0.569 ' HB2' ' CH2' ' A' ' 821' ' ' TRP . 7.7 p -84.36 3.89 33.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 73.450000000000003 109.966 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -97.51 -9.4 27.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 64.329999999999998 109.276 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 836' ' ' TYR . . . . . 0.45 ' CD1' ' HG2' ' A' ' 833' ' ' PRO . 17.2 m-85 -109.97 -0.45 18.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 73.109999999999999 111.021 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . 0.407 HG12 ' CD2' ' A' ' 832' ' ' PHE . 10.8 m -126.47 -176.17 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 64.439999999999998 109.281 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 838' ' ' GLU . . . . . 0.428 ' O ' ' CB ' ' A' ' 787' ' ' ALA . 7.0 mm-40 -125.89 171.55 10.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 74.430000000000007 110.312 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 839' ' ' GLU . . . . . 0.563 ' HG3' ' CH2' ' A' ' 821' ' ' TRP . 14.5 mm-40 -148.23 140.25 24.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 75.450000000000003 110.314 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 840' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 839' ' ' GLU . 20.7 t70 40.51 29.84 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 74.319999999999993 109.284 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 841' ' ' TYR . . . . . 0.452 ' CZ ' ' HB2' ' A' ' 788' ' ' LYS . 18.5 p90 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.433 1.083 . . . . 74.239999999999995 111.002 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 785' ' ' GLY . . . . . 0.49 ' O ' ' CG2' ' A' ' 786' ' ' THR . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 111.005 -0.838 . . . . 73.430000000000007 111.005 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 786' ' ' THR . . . . . 0.49 ' CG2' ' O ' ' A' ' 785' ' ' GLY . 2.5 p -159.8 178.72 9.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 0.736 . . . . 72.129999999999995 110.373 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 787' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 809' ' ' ILE . . . -142.5 111.82 6.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 62.409999999999997 109.258 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 788' ' ' LYS . . . . . 0.406 ' HB2' ' CZ ' ' A' ' 841' ' ' TYR . 13.2 tttt -79.19 118.32 21.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 75.530000000000001 109.298 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -61.15 139.21 58.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 74.209999999999994 109.289 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 790' ' ' ARG . . . . . 0.422 ' C ' ' CD1' ' A' ' 791' ' ' TYR . 37.3 mmm-85 -118.31 -2.7 11.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 73.25 110.311 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 791' ' ' TYR . . . . . 0.422 ' CD1' ' C ' ' A' ' 790' ' ' ARG . 22.1 m-85 -143.97 129.38 18.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 74.510000000000005 110.985 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -65.09 96.68 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 61.299999999999997 109.324 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 793' ' ' PHE . . . . . 0.55 ' CE2' ' OE1' ' A' ' 800' ' ' GLU . 1.1 t80 -83.06 175.04 10.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 74.510000000000005 111.04 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 4.3 p -152.35 105.58 3.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 61.420000000000002 108.264 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -69.35 132.96 47.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 75.109999999999999 109.371 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.53 -18.27 14.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 73.230000000000004 110.343 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -144.99 174.19 11.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 64.310000000000002 109.287 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -72.26 -14.13 61.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 75.109999999999999 110.326 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 2.9 p -84.0 7.92 16.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 71.140000000000001 110.002 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 800' ' ' GLU . . . . . 0.55 ' OE1' ' CE2' ' A' ' 793' ' ' PHE . 29.2 tt0 -129.07 142.23 50.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 73.530000000000001 110.315 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 801' ' ' LEU . . . . . 0.438 ' CD1' ' C ' ' A' ' 823' ' ' GLY . 0.8 OUTLIER -91.03 139.23 30.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.085 . . . . 64.310000000000002 109.297 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 802' ' ' SER . . . . . 0.412 ' N ' HD21 ' A' ' 801' ' ' LEU . 0.9 OUTLIER -80.83 105.17 11.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 71.109999999999999 110.025 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 803' ' ' LEU . . . . . 0.468 HD22 ' CG1' ' A' ' 837' ' ' VAL . 0.4 OUTLIER -99.96 154.35 18.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 72.040000000000006 109.308 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 7.3 tptm -157.35 115.45 3.16 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 74.340000000000003 109.267 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 805' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 791' ' ' TYR . 4.5 mt-10 -39.29 142.31 0.27 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 74.310000000000002 110.318 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 79.26 13.82 82.36 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.519 1.137 . . . . 71.310000000000002 110.975 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -120.05 159.37 24.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 0.784 . . . . 75.099999999999994 109.321 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 808' ' ' ILE . . . . . 0.544 ' N ' ' CD1' ' A' ' 808' ' ' ILE . 0.0 OUTLIER -108.68 148.23 12.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 75.439999999999998 109.263 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 809' ' ' ILE . . . . . 0.571 HG23 ' CE1' ' A' ' 832' ' ' PHE . 1.9 mp -120.16 116.42 50.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 74.409999999999997 109.305 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 810' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -72.99 113.42 10.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 73.209999999999994 109.301 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 811' ' ' ILE . . . . . . . . . . . . . 5.6 mm -70.88 128.52 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 74.219999999999999 109.331 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 812' ' ' LEU . . . . . . . . . . . . . 2.8 mt -120.11 -48.59 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 74.439999999999998 109.295 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 813' ' ' ASN . . . . . 0.456 ' HB2' ' CZ ' ' A' ' 822' ' ' ARG . 9.0 t-20 -120.33 149.42 42.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 73.439999999999998 109.32 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 814' ' ' LYS . . . . . 0.54 ' HD2' ' CD1' ' A' ' 821' ' ' TRP . 1.3 mmmp? . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 75.120000000000005 109.281 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.964 -0.854 . . . . 71.140000000000001 110.964 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 820' ' ' TRP . . . . . 0.509 ' CZ3' ' CG ' ' A' ' 831' ' ' TRP . 1.1 p-90 -142.84 120.31 11.69 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.006 -1.109 . . . . 74.540000000000006 108.006 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 821' ' ' TRP . . . . . 0.54 ' CD1' ' HD2' ' A' ' 814' ' ' LYS . 21.6 m0 -91.61 158.93 16.15 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.958 -1.127 . . . . 72.230000000000004 107.958 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 822' ' ' ARG . . . . . 0.566 ' HG3' ' CD1' ' A' ' 831' ' ' TRP . 44.4 ttp180 -117.65 119.6 35.46 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 75.140000000000001 110.318 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 823' ' ' GLY . . . . . 0.438 ' C ' ' CD1' ' A' ' 801' ' ' LEU . . . -136.93 -161.24 8.92 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.529 1.143 . . . . 71.109999999999999 110.999 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 824' ' ' GLU . . . . . 0.487 ' CG ' ' N ' ' A' ' 825' ' ' ILE . 19.2 tt0 -152.4 158.61 42.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 0.769 . . . . 71.409999999999997 110.315 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 825' ' ' ILE . . . . . 0.566 HG23 ' CD2' ' A' ' 826' ' ' TYR . 2.0 mt -150.78 123.33 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 74.239999999999995 109.318 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 826' ' ' TYR . . . . . 0.566 ' CD2' HG23 ' A' ' 825' ' ' ILE . 6.7 m-85 60.12 26.79 16.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 73.409999999999997 110.956 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 827' ' ' GLY . . . . . 0.402 ' C ' ' OE2' ' A' ' 824' ' ' GLU . . . 89.9 -2.84 82.48 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.476 1.11 . . . . 71.319999999999993 110.995 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 34.1 mtt180 -87.06 111.97 21.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 0.749 . . . . 73.140000000000001 110.266 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 829' ' ' ILE . . . . . 0.467 ' CD1' ' HB2' ' A' ' 824' ' ' GLU . 3.2 mm -87.54 155.92 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 75.109999999999999 109.306 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 163.87 -170.67 39.25 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.472 1.108 . . . . 74.409999999999997 110.982 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 831' ' ' TRP . . . . . 0.566 ' CD1' ' HG3' ' A' ' 822' ' ' ARG . 14.0 m95 -123.7 -176.06 3.37 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.988 -1.116 . . . . 74.120000000000005 107.988 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 832' ' ' PHE . . . . . 0.571 ' CE1' HG23 ' A' ' 809' ' ' ILE . 34.9 p90 -178.36 160.93 1.18 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 62.240000000000002 110.99 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 833' ' ' PRO . . . . . 0.506 ' HG2' ' CG ' ' A' ' 836' ' ' TYR . 18.2 Cg_endo -75.03 148.59 35.37 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.475 1.776 . . . . 72.219999999999999 111.005 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 5.0 p -81.32 3.92 22.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 71.040000000000006 110.011 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -105.48 -0.04 26.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 74.010000000000005 109.267 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 836' ' ' TYR . . . . . 0.506 ' CG ' ' HG2' ' A' ' 833' ' ' PRO . 6.8 m-85 -116.34 8.46 14.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 72.430000000000007 111.011 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . 0.468 ' CG1' HD22 ' A' ' 803' ' ' LEU . 6.6 m -151.65 163.91 2.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 75.349999999999994 109.301 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 838' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -135.93 129.74 32.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 73.540000000000006 110.294 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 839' ' ' GLU . . . . . 0.402 ' C ' ' CD ' ' A' ' 839' ' ' GLU . 0.1 OUTLIER -120.16 169.02 10.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 63.549999999999997 110.253 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 16.8 t0 54.87 28.71 10.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 64.209999999999994 109.326 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 841' ' ' TYR . . . . . 0.406 ' CZ ' ' HB2' ' A' ' 788' ' ' LYS . 37.1 p90 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 74.439999999999998 111.013 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.0 -0.84 . . . . 74.109999999999999 111.0 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 2.4 p -154.78 172.83 17.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 0.767 . . . . 74.409999999999997 110.448 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 787' ' ' ALA . . . . . 0.43 ' CB ' HD13 ' A' ' 811' ' ' ILE . . . -146.28 104.52 3.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 63.200000000000003 109.315 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 788' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 838' ' ' GLU . 36.2 tttt -65.38 132.63 49.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 73.540000000000006 109.288 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 789' ' ' ALA . . . . . 0.407 ' HB2' ' CD1' ' A' ' 809' ' ' ILE . . . -77.34 127.36 32.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 72.129999999999995 109.281 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 790' ' ' ARG . . . . . 0.475 ' C ' ' CG ' ' A' ' 791' ' ' TYR . 17.7 mmm180 -99.56 -2.32 36.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 73.519999999999996 110.286 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 791' ' ' TYR . . . . . 0.475 ' CG ' ' C ' ' A' ' 790' ' ' ARG . 51.0 m-85 -159.17 128.73 5.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 75.109999999999999 111.008 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 19.2 p-10 -64.88 115.89 5.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 71.430000000000007 109.311 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 793' ' ' PHE . . . . . 0.463 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.1 t80 -104.85 125.4 50.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 75.430000000000007 110.981 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 5.0 t -92.72 103.48 15.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 70.109999999999999 108.275 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -61.25 105.59 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 74.430000000000007 109.292 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 4.5 ptm85 -56.56 -21.36 25.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 75.010000000000005 110.342 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -157.01 -178.92 7.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 70.239999999999995 109.312 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 7.5 tpt85 -72.3 -6.01 40.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 75.109999999999999 110.3 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 2.4 p -80.24 -11.63 59.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 75.239999999999995 109.962 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -117.72 150.41 39.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 74.439999999999998 110.318 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 801' ' ' LEU . . . . . 0.406 ' HB2' ' N ' ' A' ' 831' ' ' TRP . 0.8 OUTLIER -88.69 139.63 30.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 74.239999999999995 109.295 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 802' ' ' SER . . . . . 0.404 ' N ' HD22 ' A' ' 801' ' ' LEU . 1.3 t -81.73 108.29 15.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.158 . . . . 72.319999999999993 109.999 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 803' ' ' LEU . . . . . 0.463 ' HB2' ' CB ' ' A' ' 793' ' ' PHE . 0.8 OUTLIER -97.0 157.63 15.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 74.239999999999995 109.321 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 804' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 805' ' ' GLU . 8.1 tmtt? -156.87 110.86 2.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 74.409999999999997 109.284 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 805' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 804' ' ' LYS . 10.3 mt-10 -38.85 134.27 1.01 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 63.32 110.257 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 92.16 -9.33 76.56 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.477 1.111 . . . . 64.030000000000001 111.018 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -96.8 163.65 12.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 74.310000000000002 109.314 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 808' ' ' ILE . . . . . 0.465 ' N ' ' CD1' ' A' ' 808' ' ' ILE . 0.0 OUTLIER -116.09 135.67 55.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 74.310000000000002 109.221 -179.933 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 809' ' ' ILE . . . . . 0.626 ' CG2' ' CZ ' ' A' ' 832' ' ' PHE . 1.3 mp -102.23 113.81 39.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 72.400000000000006 109.256 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 810' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 811' ' ' ILE . 11.7 tptt -66.54 114.88 5.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 72.109999999999999 109.331 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 811' ' ' ILE . . . . . 0.43 HD13 ' CB ' ' A' ' 787' ' ' ALA . 3.8 mm -78.38 131.76 33.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 73.019999999999996 109.296 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 812' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.97 -43.98 2.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 74.549999999999997 109.296 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -133.12 145.49 50.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 73.129999999999995 109.299 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 814' ' ' LYS . . . . . 0.555 ' HA ' ' CD1' ' A' ' 821' ' ' TRP . 13.3 mtmt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 74.25 109.326 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.033 -0.827 . . . . 61.229999999999997 111.033 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 820' ' ' TRP . . . . . 0.732 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.37 172.89 12.07 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.012 -1.107 . . . . 73.200000000000003 108.012 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 821' ' ' TRP . . . . . 0.562 ' CZ3' ' HB2' ' A' ' 834' ' ' SER . 12.0 m0 -130.3 140.58 50.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 72.430000000000007 108.016 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 822' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -89.12 127.33 35.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 73.409999999999997 110.29 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -151.56 -166.1 13.61 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.525 1.141 . . . . 75.239999999999995 111.004 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 824' ' ' GLU . . . . . 0.502 ' CG ' ' N ' ' A' ' 825' ' ' ILE . 19.9 tt0 -157.8 159.44 36.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 0.768 . . . . 73.349999999999994 110.276 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 825' ' ' ILE . . . . . 0.564 HG21 ' CD2' ' A' ' 826' ' ' TYR . 2.8 mt -151.88 133.8 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 74.150000000000006 109.272 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 826' ' ' TYR . . . . . 0.564 ' CD2' HG21 ' A' ' 825' ' ' ILE . 19.0 m-85 56.69 16.78 2.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 75.400000000000006 111.011 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 91.31 20.66 37.62 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.455 1.097 . . . . 52.5 110.968 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . 0.418 ' N ' ' HG3' ' A' ' 824' ' ' GLU . 6.1 mmt85 -113.2 116.8 30.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 0.793 . . . . 74.439999999999998 110.278 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 829' ' ' ILE . . . . . 0.465 ' CD1' ' HB2' ' A' ' 824' ' ' GLU . 2.6 mm -87.19 152.7 3.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 74.25 109.314 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 177.95 -163.93 32.48 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.467 1.104 . . . . 61.32 110.965 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 831' ' ' TRP . . . . . 0.732 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 64.1 m95 -129.67 165.9 20.88 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.014 -1.106 . . . . 73.150000000000006 108.014 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 832' ' ' PHE . . . . . 0.626 ' CZ ' ' CG2' ' A' ' 809' ' ' ILE . 29.8 p90 -174.1 154.14 2.12 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 73.239999999999995 110.966 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 147.57 33.95 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.494 1.786 . . . . 64.530000000000001 111.004 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 834' ' ' SER . . . . . 0.562 ' HB2' ' CZ3' ' A' ' 821' ' ' TRP . 23.4 p -82.2 3.56 26.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 63.350000000000001 110.023 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -100.38 -6.28 25.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 74.400000000000006 109.283 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -108.25 -6.23 16.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 75.010000000000005 111.03 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 16.1 m -122.74 176.54 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 64.120000000000005 109.362 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 838' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 788' ' ' LYS . 7.3 mt-10 -111.01 178.65 4.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 64.150000000000006 110.3 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 839' ' ' GLU . . . . . 0.436 ' C ' ' N ' ' A' ' 841' ' ' TYR . 19.5 mp0 -151.42 131.2 13.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 72.140000000000001 110.294 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 42.4 t0 40.98 29.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 73.150000000000006 109.292 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 841' ' ' TYR . . . . . 0.436 ' N ' ' C ' ' A' ' 839' ' ' GLU . 9.8 p90 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 71.209999999999994 111.057 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.001 -0.84 . . . . 73.099999999999994 111.001 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 3.1 p -155.38 170.31 22.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 0.792 . . . . 64.25 110.443 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 787' ' ' ALA . . . . . 0.403 ' CB ' HD12 ' A' ' 811' ' ' ILE . . . -145.51 105.0 3.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 61.409999999999997 109.328 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 788' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 838' ' ' GLU . 12.7 tttt -68.32 122.76 19.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 73.209999999999994 109.29 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 789' ' ' ALA . . . . . 0.453 ' HB2' ' CD1' ' A' ' 809' ' ' ILE . . . -71.82 138.3 48.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 74.349999999999994 109.306 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 790' ' ' ARG . . . . . 0.415 ' C ' ' CG ' ' A' ' 791' ' ' TYR . 6.3 mmp_? -107.59 -2.84 19.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.087 . . . . 74.319999999999993 110.31 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 791' ' ' TYR . . . . . 0.423 ' CA ' ' HG3' ' A' ' 805' ' ' GLU . 67.9 m-85 -156.66 128.44 7.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 75.150000000000006 111.022 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -64.28 123.19 18.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 74.409999999999997 109.272 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 793' ' ' PHE . . . . . 0.464 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.1 t80 -111.05 113.27 25.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.15 . . . . 74.519999999999996 111.017 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 14.6 t -81.97 107.22 14.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 64.310000000000002 108.278 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -68.83 138.67 54.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 62.340000000000003 109.319 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.52 -12.08 12.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 74.340000000000003 110.296 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -140.17 155.37 46.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 74.540000000000006 109.294 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 798' ' ' ARG . . . . . 0.417 ' HD3' ' N ' ' A' ' 798' ' ' ARG . 0.0 OUTLIER -63.57 -12.45 32.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 74.349999999999994 110.273 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 88.5 p -86.77 7.87 25.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 71.310000000000002 110.021 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -122.87 151.91 41.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 74.549999999999997 110.277 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 801' ' ' LEU . . . . . 0.415 HD23 ' N ' ' A' ' 802' ' ' SER . 0.9 OUTLIER -101.9 138.39 38.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 74.140000000000001 109.35 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 802' ' ' SER . . . . . 0.415 ' N ' HD23 ' A' ' 801' ' ' LEU . 1.0 OUTLIER -80.47 106.44 12.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 72.510000000000005 109.98 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 803' ' ' LEU . . . . . 0.464 ' HB2' ' CB ' ' A' ' 793' ' ' PHE . 0.9 OUTLIER -95.37 156.73 16.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 75.230000000000004 109.325 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -155.12 111.56 3.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 73.140000000000001 109.309 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 805' ' ' GLU . . . . . 0.423 ' HG3' ' CA ' ' A' ' 791' ' ' TYR . 5.6 mt-10 -38.91 136.53 0.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 71.329999999999998 110.321 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 85.86 5.31 83.94 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.462 1.101 . . . . 54.43 111.022 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -108.53 165.24 11.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.765 . . . . 74.109999999999999 109.296 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 808' ' ' ILE . . . . . 0.484 ' N ' ' CD1' ' A' ' 808' ' ' ILE . 0.0 OUTLIER -116.29 138.2 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 73.209999999999994 109.322 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 809' ' ' ILE . . . . . 0.666 ' CG2' ' CZ ' ' A' ' 832' ' ' PHE . 1.4 mp -107.77 114.77 47.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 75.239999999999995 109.309 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 810' ' ' LYS . . . . . 0.406 ' HD2' ' N ' ' A' ' 811' ' ' ILE . 22.1 tptt -68.9 113.41 6.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 74.530000000000001 109.266 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 811' ' ' ILE . . . . . 0.406 ' N ' ' HD2' ' A' ' 810' ' ' LYS . 3.0 mm -72.89 121.69 24.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 72.239999999999995 109.321 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 812' ' ' LEU . . . . . 0.404 ' CD1' ' HA2' ' A' ' 823' ' ' GLY . 1.4 mt -112.74 -48.98 2.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 73.310000000000002 109.299 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -121.82 152.03 39.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 75.200000000000003 109.336 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 814' ' ' LYS . . . . . 0.518 ' HA ' ' CD1' ' A' ' 821' ' ' TRP . 8.7 mtmt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 73.319999999999993 109.292 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.03 -0.828 . . . . 74.25 111.03 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 820' ' ' TRP . . . . . 0.693 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.38 172.7 12.33 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.01 -1.108 . . . . 75.129999999999995 108.01 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 821' ' ' TRP . . . . . 0.553 ' CZ3' ' OG ' ' A' ' 834' ' ' SER . 11.1 m0 -133.03 139.18 47.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 75.420000000000002 107.984 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 822' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -81.78 141.71 33.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 74.349999999999994 110.278 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 823' ' ' GLY . . . . . 0.404 ' HA2' ' CD1' ' A' ' 812' ' ' LEU . . . -166.2 -164.24 21.35 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.472 1.107 . . . . 71.409999999999997 111.021 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 824' ' ' GLU . . . . . 0.496 ' CG ' ' N ' ' A' ' 825' ' ' ILE . 19.6 tt0 -161.23 159.12 28.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 0.748 . . . . 75.109999999999999 110.34 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 825' ' ' ILE . . . . . 0.568 HG22 ' CD2' ' A' ' 826' ' ' TYR . 2.9 mt -151.94 135.21 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 74.430000000000007 109.319 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 826' ' ' TYR . . . . . 0.568 ' CD2' HG22 ' A' ' 825' ' ' ILE . 22.1 m-85 56.07 16.93 2.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 73.239999999999995 110.994 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 90.52 22.04 35.52 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.49 1.119 . . . . 62.299999999999997 111.018 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . 0.416 ' N ' ' HG3' ' A' ' 824' ' ' GLU . 13.1 mmt-85 -114.94 117.78 31.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 0.773 . . . . 72.430000000000007 110.332 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 829' ' ' ILE . . . . . 0.477 ' CD1' ' HB2' ' A' ' 824' ' ' GLU . 2.9 mm -87.25 152.4 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 74.340000000000003 109.281 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 177.16 -164.53 33.92 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 65.510000000000005 110.992 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 831' ' ' TRP . . . . . 0.693 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 56.4 m95 -129.21 157.2 42.51 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.001 -1.111 . . . . 74.409999999999997 108.001 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 832' ' ' PHE . . . . . 0.666 ' CZ ' ' CG2' ' A' ' 809' ' ' ILE . 31.8 p90 -161.81 153.25 15.59 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 74.099999999999994 111.007 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 147.95 34.65 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.522 1.801 . . . . 74.0 111.026 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 834' ' ' SER . . . . . 0.553 ' OG ' ' CZ3' ' A' ' 821' ' ' TRP . 30.3 t -85.16 3.44 39.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 75.400000000000006 109.989 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -96.97 -7.88 31.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 74.519999999999996 109.321 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -111.87 -9.6 14.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 72.549999999999997 110.978 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 15.6 m -122.18 161.68 22.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 74.109999999999999 109.283 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 838' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 788' ' ' LYS . 47.3 mm-40 -134.0 123.66 24.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.093 . . . . 75.040000000000006 110.303 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 839' ' ' GLU . . . . . 0.485 ' OE2' ' CH2' ' A' ' 821' ' ' TRP . 1.3 pt-20 -113.55 -179.6 3.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 73.120000000000005 110.271 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 58.6 t0 41.19 51.59 3.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 51.350000000000001 109.307 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 841' ' ' TYR . . . . . . . . . . . . . 19.9 p90 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 74.239999999999995 110.989 -179.981 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.954 -0.859 . . . . 74.099999999999994 110.954 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 2.9 p -133.56 172.59 12.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 0.758 . . . . 74.540000000000006 110.38 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -134.7 106.53 6.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 70.349999999999994 109.28 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 788' ' ' LYS . . . . . 0.559 ' HB2' ' CE2' ' A' ' 841' ' ' TYR . 8.4 tttt -68.49 121.88 17.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 70.409999999999997 109.3 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -72.06 128.41 35.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 74.310000000000002 109.301 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 790' ' ' ARG . . . . . 0.482 ' HB2' ' CE2' ' A' ' 791' ' ' TYR . 16.0 mmm180 -97.8 -4.77 36.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 75.25 110.268 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 791' ' ' TYR . . . . . 0.482 ' CE2' ' HB2' ' A' ' 790' ' ' ARG . 26.3 m-85 -154.62 129.01 9.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 74.420000000000002 110.994 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -64.01 123.22 18.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 74.530000000000001 109.303 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 793' ' ' PHE . . . . . 0.466 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.1 t80 -111.34 114.06 26.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 75.219999999999999 110.97 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 33.8 m -80.08 125.2 29.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 74.400000000000006 108.31 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -86.63 140.1 30.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 74.040000000000006 109.331 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.91 -9.91 11.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 75.239999999999995 110.333 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -154.8 166.22 34.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 75.439999999999998 109.32 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 1.3 ptp85 -65.4 -13.2 58.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 73.409999999999997 110.318 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 93.4 p -83.83 7.78 16.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 71.340000000000003 109.999 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -128.06 152.91 47.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 75.5 110.312 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 801' ' ' LEU . . . . . 0.417 HD22 ' N ' ' A' ' 802' ' ' SER . 1.0 OUTLIER -107.39 135.11 49.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 51.140000000000001 109.308 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 802' ' ' SER . . . . . 0.417 ' N ' HD22 ' A' ' 801' ' ' LEU . 0.9 OUTLIER -79.03 105.68 10.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 72.120000000000005 109.99 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 803' ' ' LEU . . . . . 0.466 ' HB2' ' CB ' ' A' ' 793' ' ' PHE . 1.7 mp -97.51 161.83 13.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 75.140000000000001 109.295 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -158.09 110.7 2.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 73.150000000000006 109.309 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -38.79 133.82 1.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 74.129999999999995 110.31 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 90.59 -2.36 80.29 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.534 1.146 . . . . 74.530000000000001 110.997 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 807' ' ' ASP . . . . . 0.4 ' OD2' ' OH ' ' A' ' 826' ' ' TYR . 7.4 m-20 -100.24 165.61 11.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 0.763 . . . . 72.430000000000007 109.281 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 808' ' ' ILE . . . . . 0.484 ' O ' ' CD1' ' A' ' 825' ' ' ILE . 0.0 OUTLIER -117.23 141.27 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 72.140000000000001 109.287 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 809' ' ' ILE . . . . . 0.636 ' CG2' ' CZ ' ' A' ' 832' ' ' PHE . 1.7 mp -106.34 114.59 45.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 75.109999999999999 109.291 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 810' ' ' LYS . . . . . 0.418 ' HD2' ' N ' ' A' ' 811' ' ' ILE . 15.2 tptt -75.01 115.12 14.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 63.130000000000003 109.275 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 811' ' ' ILE . . . . . 0.471 ' CG2' ' HB2' ' A' ' 814' ' ' LYS . 2.8 mm -72.33 139.04 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 73.129999999999995 109.278 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 812' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -132.53 -55.53 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 74.120000000000005 109.274 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -83.64 -76.52 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 74.120000000000005 109.326 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 814' ' ' LYS . . . . . 0.571 ' HA ' ' CD1' ' A' ' 821' ' ' TRP . 6.2 tmtt? . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 73.120000000000005 109.283 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.988 -0.845 . . . . 73.25 110.988 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 820' ' ' TRP . . . . . 0.736 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.4 172.75 12.26 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.96 -1.126 . . . . 74.230000000000004 107.96 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 821' ' ' TRP . . . . . 0.596 ' O ' ' CD1' ' A' ' 832' ' ' PHE . 14.0 m0 -126.72 138.94 53.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 75.340000000000003 107.975 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 822' ' ' ARG . . . . . 0.519 ' HG3' ' CE2' ' A' ' 831' ' ' TRP . 5.5 ttt180 -98.06 93.63 6.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 72.530000000000001 110.339 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -116.33 -156.86 10.88 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.55 1.156 . . . . 51.240000000000002 111.013 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 824' ' ' GLU . . . . . 0.465 ' OE1' ' CA ' ' A' ' 825' ' ' ILE . 0.5 OUTLIER -160.14 150.78 18.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 0.781 . . . . 74.019999999999996 110.293 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 825' ' ' ILE . . . . . 0.484 ' CD1' ' O ' ' A' ' 808' ' ' ILE . 3.3 mt -140.0 128.79 26.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 75.150000000000006 109.312 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 826' ' ' TYR . . . . . 0.501 ' CD1' ' N ' ' A' ' 826' ' ' TYR . 4.8 m-30 58.63 23.0 10.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 74.040000000000006 110.963 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 87.76 12.93 65.72 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.475 1.109 . . . . 61.310000000000002 110.979 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 65.0 mtm180 -104.41 117.04 33.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 0.756 . . . . 75.409999999999997 110.305 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 829' ' ' ILE . . . . . 0.462 ' CD1' ' HB2' ' A' ' 824' ' ' GLU . 2.5 mm -87.32 157.34 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 72.129999999999995 109.283 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 830' ' ' GLY . . . . . 0.406 ' CA ' ' HG ' ' A' ' 801' ' ' LEU . . . 169.33 -177.24 43.06 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.468 1.105 . . . . 70.200000000000003 110.96 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 831' ' ' TRP . . . . . 0.736 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 75.5 m95 -114.52 146.74 40.35 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.962 -1.125 . . . . 71.329999999999998 107.962 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 832' ' ' PHE . . . . . 0.636 ' CZ ' ' CG2' ' A' ' 809' ' ' ILE . 32.5 p90 -152.19 151.29 27.35 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 74.239999999999995 111.0 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 147.48 34.07 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.51 1.795 . . . . 72.019999999999996 110.977 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 23.3 p -87.17 -5.26 59.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 64.430000000000007 110.029 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -94.31 1.76 55.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 71.219999999999999 109.299 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -118.8 -8.0 10.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 74.530000000000001 111.028 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 31.0 m -117.68 174.89 3.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 74.439999999999998 109.303 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 838' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 788' ' ' LYS . 14.1 mt-10 -109.76 178.11 4.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 75.430000000000007 110.314 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 839' ' ' GLU . . . . . 0.437 ' C ' ' N ' ' A' ' 841' ' ' TYR . 6.9 mp0 -151.55 128.34 10.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 74.140000000000001 110.311 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 34.3 t70 42.18 28.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 72.439999999999998 109.334 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 841' ' ' TYR . . . . . 0.559 ' CE2' ' HB2' ' A' ' 788' ' ' LYS . 4.1 p90 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.112 . . . . 74.430000000000007 111.024 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.984 -0.847 . . . . 71.439999999999998 110.984 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 2.3 p -150.44 167.59 26.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 0.756 . . . . 72.099999999999994 110.379 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 787' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 809' ' ' ILE . . . -136.34 118.71 15.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 64.239999999999995 109.309 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 788' ' ' LYS . . . . . . . . . . . . . 10.6 tttt -78.39 119.98 22.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 73.510000000000005 109.305 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 789' ' ' ALA . . . . . 0.409 ' HB2' ' CD1' ' A' ' 809' ' ' ILE . . . -65.27 136.69 56.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 74.239999999999995 109.285 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 790' ' ' ARG . . . . . 0.596 ' C ' ' CD1' ' A' ' 791' ' ' TYR . 40.3 mmm-85 -117.28 7.35 12.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.085 . . . . 75.420000000000002 110.336 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 791' ' ' TYR . . . . . 0.596 ' CD1' ' C ' ' A' ' 790' ' ' ARG . 31.8 m-85 -151.61 138.17 18.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 70.409999999999997 111.002 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -73.92 117.17 15.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 73.25 109.324 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 793' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -126.55 113.7 17.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 75.230000000000004 110.963 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 81.2 m -84.37 143.05 29.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 73.340000000000003 108.308 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -99.37 101.86 13.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 74.430000000000007 109.306 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 8.6 mmt85 -50.7 -27.77 7.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 74.439999999999998 110.304 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -157.07 -176.75 6.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 74.420000000000002 109.341 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -69.2 -7.42 36.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 73.120000000000005 110.272 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 3.3 p -74.25 -18.56 60.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.457 1.098 . . . . 74.319999999999993 110.007 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -115.17 149.77 37.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 70.420000000000002 110.278 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 801' ' ' LEU . . . . . 0.415 HD13 ' CD1' ' A' ' 832' ' ' PHE . 1.0 OUTLIER -84.37 132.94 34.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 75.0 109.321 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.16 99.85 1.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 74.030000000000001 110.003 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 803' ' ' LEU . . . . . . . . . . . . . 2.0 tp -96.12 146.62 24.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 65.409999999999997 109.286 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.51 109.88 2.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 74.540000000000006 109.3 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 805' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 791' ' ' TYR . 3.2 mt-10 -39.63 145.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 74.439999999999998 110.26 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 81.41 17.66 70.74 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.515 1.134 . . . . 75.209999999999994 111.012 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -129.73 164.95 22.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.777 . . . . 54.439999999999998 109.329 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 808' ' ' ILE . . . . . 0.544 ' N ' ' CD1' ' A' ' 808' ' ' ILE . 0.0 OUTLIER -108.7 152.82 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 75.200000000000003 109.318 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 809' ' ' ILE . . . . . 0.609 ' CG2' ' CZ ' ' A' ' 832' ' ' PHE . 1.3 mp -118.38 115.24 47.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 74.129999999999995 109.275 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 810' ' ' LYS . . . . . . . . . . . . . 25.4 tptt -75.1 112.92 11.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 74.209999999999994 109.343 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 811' ' ' ILE . . . . . . . . . . . . . 2.9 mm -71.99 119.21 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 71.430000000000007 109.282 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 812' ' ' LEU . . . . . . . . . . . . . 1.2 mt -111.95 -51.58 2.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 74.150000000000006 109.323 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 813' ' ' ASN . . . . . 0.471 ' CB ' ' HB3' ' A' ' 822' ' ' ARG . 0.4 OUTLIER -121.36 141.11 51.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 73.439999999999998 109.256 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 814' ' ' LYS . . . . . 0.523 ' HG3' ' CD1' ' A' ' 821' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 73.239999999999995 109.32 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.996 -0.841 . . . . 64.400000000000006 110.996 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 820' ' ' TRP . . . . . 0.711 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.42 172.32 12.86 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.027 -1.101 . . . . 73.129999999999995 108.027 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 821' ' ' TRP . . . . . 0.595 ' O ' ' CE1' ' A' ' 832' ' ' PHE . 17.8 m0 -132.35 136.34 46.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 73.430000000000007 107.983 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 822' ' ' ARG . . . . . 0.471 ' HB3' ' CB ' ' A' ' 813' ' ' ASN . 8.6 ttp180 -84.5 118.88 24.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 70.430000000000007 110.307 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -140.43 -159.4 7.93 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.571 1.17 . . . . 71.400000000000006 111.027 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 824' ' ' GLU . . . . . 0.489 ' CG ' ' N ' ' A' ' 825' ' ' ILE . 20.7 tt0 -158.36 159.43 35.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.77 . . . . 72.230000000000004 110.319 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 825' ' ' ILE . . . . . 0.489 ' N ' ' CG ' ' A' ' 824' ' ' GLU . 2.3 mt -152.18 130.55 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 73.420000000000002 109.308 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 55.4 26.84 9.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 74.409999999999997 110.98 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 83.27 18.58 64.3 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.468 1.105 . . . . 74.5 110.99 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 59.9 mtt180 -109.33 113.18 25.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 0.761 . . . . 73.400000000000006 110.304 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 829' ' ' ILE . . . . . 0.466 ' CD1' ' HB2' ' A' ' 824' ' ' GLU . 2.6 mm -87.38 158.53 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 73.439999999999998 109.315 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 164.79 -160.61 33.84 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.501 1.125 . . . . 74.010000000000005 110.964 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 831' ' ' TRP . . . . . 0.711 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 49.5 m95 -127.63 144.83 51.04 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.999 -1.111 . . . . 74.510000000000005 107.999 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 832' ' ' PHE . . . . . 0.609 ' CZ ' ' CG2' ' A' ' 809' ' ' ILE . 38.1 p90 -144.0 148.47 42.12 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 75.310000000000002 111.015 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 833' ' ' PRO . . . . . 0.512 ' HG2' ' CD1' ' A' ' 836' ' ' TYR . 18.4 Cg_endo -75.0 147.66 34.21 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.532 1.806 . . . . 74.109999999999999 110.995 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 834' ' ' SER . . . . . 0.558 ' HB2' ' CZ3' ' A' ' 821' ' ' TRP . 79.1 p -82.83 3.82 27.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 71.140000000000001 110.007 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -95.38 -15.1 23.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 73.340000000000003 109.328 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 836' ' ' TYR . . . . . 0.512 ' CD1' ' HG2' ' A' ' 833' ' ' PRO . 7.9 m-85 -114.36 30.42 7.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 75.209999999999994 110.991 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . 0.451 ' CG1' ' O ' ' A' ' 836' ' ' TYR . 26.8 m -155.2 161.45 2.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 74.239999999999995 109.309 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 838' ' ' GLU . . . . . 0.464 ' HG3' ' CG ' ' A' ' 790' ' ' ARG . 12.6 mt-10 -100.83 179.37 4.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 74.200000000000003 110.319 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 839' ' ' GLU . . . . . 0.434 ' C ' ' N ' ' A' ' 841' ' ' TYR . 19.2 mp0 -154.79 129.89 9.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 74.200000000000003 110.303 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 33.5 t70 41.64 29.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 74.319999999999993 109.319 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 841' ' ' TYR . . . . . 0.434 ' N ' ' C ' ' A' ' 839' ' ' GLU . 8.2 p90 . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.453 1.096 . . . . 72.530000000000001 110.961 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.011 -0.836 . . . . 70.430000000000007 111.011 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 2.5 p -154.46 174.08 15.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 0.762 . . . . 71.010000000000005 110.373 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -144.49 105.32 4.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 64.25 109.289 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 788' ' ' LYS . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 841' ' ' TYR . 12.4 tttt -69.36 117.01 10.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 72.219999999999999 109.337 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -63.5 133.38 53.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 64.420000000000002 109.327 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 790' ' ' ARG . . . . . 0.548 ' C ' ' CD1' ' A' ' 791' ' ' TYR . 32.0 mmm-85 -107.04 -1.43 22.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 75.329999999999998 110.314 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 791' ' ' TYR . . . . . 0.548 ' CD1' ' C ' ' A' ' 790' ' ' ARG . 62.2 m-85 -159.53 128.46 5.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 72.129999999999995 110.993 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -61.97 116.17 4.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 64.349999999999994 109.269 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 793' ' ' PHE . . . . . 0.425 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.2 t80 -107.84 114.08 27.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 73.439999999999998 110.975 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 41.4 t -81.38 108.68 15.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 74.299999999999997 108.296 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -69.94 104.13 2.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 60.039999999999999 109.296 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 11.1 ptt180 -56.51 -19.91 17.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 74.549999999999997 110.264 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -163.41 171.94 15.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 63.229999999999997 109.241 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -15.97 16.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 73.420000000000002 110.312 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 1.7 p -70.38 -7.58 44.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 73.510000000000005 110.024 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -125.49 150.02 47.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 73.450000000000003 110.312 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 801' ' ' LEU . . . . . 0.414 HD21 ' N ' ' A' ' 802' ' ' SER . 0.9 OUTLIER -88.52 138.06 31.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 72.239999999999995 109.331 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 802' ' ' SER . . . . . 0.414 ' N ' HD21 ' A' ' 801' ' ' LEU . 3.7 p -81.46 101.35 9.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 73.200000000000003 109.997 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 803' ' ' LEU . . . . . 0.425 ' HB2' ' CB ' ' A' ' 793' ' ' PHE . 0.5 OUTLIER -92.92 157.17 16.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 74.209999999999994 109.328 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 804' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 805' ' ' GLU . 7.7 tmtm? -156.63 111.24 2.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.472 1.108 . . . . 75.200000000000003 109.356 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 805' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 804' ' ' LYS . 7.6 mt-10 -38.86 133.42 1.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 74.310000000000002 110.292 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 90.43 -3.14 81.69 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.493 1.121 . . . . 62.049999999999997 110.964 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -104.45 159.74 15.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.777 . . . . 75.040000000000006 109.309 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 808' ' ' ILE . . . . . 0.506 ' N ' ' CD1' ' A' ' 808' ' ' ILE . 0.0 OUTLIER -110.64 139.99 31.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 64.400000000000006 109.32 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 809' ' ' ILE . . . . . 0.566 HG23 ' CZ ' ' A' ' 832' ' ' PHE . 1.5 mp -105.61 113.83 43.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 72.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 810' ' ' LYS . . . . . 0.406 ' HD2' ' N ' ' A' ' 811' ' ' ILE . 15.8 tptp -68.36 114.38 6.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 62.149999999999999 109.34 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 811' ' ' ILE . . . . . 0.406 ' N ' ' HD2' ' A' ' 810' ' ' LYS . 3.5 mm -75.94 137.97 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 72.329999999999998 109.278 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 812' ' ' LEU . . . . . . . . . . . . . 2.1 mt -128.68 -48.0 1.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 62.219999999999999 109.295 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -134.36 141.1 46.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 64.230000000000004 109.32 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 814' ' ' LYS . . . . . 0.408 ' HD3' ' NE1' ' A' ' 821' ' ' TRP . 38.2 mttt . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 73.019999999999996 109.303 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.979 -0.848 . . . . 64.120000000000005 110.979 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 820' ' ' TRP . . . . . 0.729 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.35 172.69 12.35 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.999 -1.111 . . . . 74.439999999999998 107.999 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 821' ' ' TRP . . . . . 0.58 ' CH2' ' OG ' ' A' ' 834' ' ' SER . 20.9 m0 -126.34 138.19 53.55 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.986 -1.116 . . . . 71.209999999999994 107.986 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 822' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -95.77 105.43 17.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 75.340000000000003 110.263 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -126.31 -154.53 8.67 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 73.219999999999999 110.96 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 824' ' ' GLU . . . . . 0.489 ' CG ' ' N ' ' A' ' 825' ' ' ILE . 19.9 tt0 -164.14 159.1 19.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 0.75 . . . . 74.140000000000001 110.32 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 825' ' ' ILE . . . . . 0.489 ' N ' ' CG ' ' A' ' 824' ' ' GLU . 3.2 mt -151.19 129.87 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 74.540000000000006 109.298 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 9.0 m-30 57.85 21.86 8.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 73.519999999999996 110.973 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 88.13 15.69 60.42 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.467 1.104 . . . . 73.299999999999997 111.019 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 34.2 mtt85 -107.28 115.35 30.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.756 . . . . 73.120000000000005 110.269 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 829' ' ' ILE . . . . . 0.468 ' CD1' ' HB2' ' A' ' 824' ' ' GLU . 2.7 mm -87.34 156.2 3.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 64.310000000000002 109.294 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 174.0 -169.89 42.96 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 61.049999999999997 110.967 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 831' ' ' TRP . . . . . 0.729 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 60.7 m95 -127.2 145.78 50.64 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.018 -1.104 . . . . 75.150000000000006 108.018 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 832' ' ' PHE . . . . . 0.566 ' CZ ' HG23 ' A' ' 809' ' ' ILE . 31.0 p90 -150.44 151.18 30.58 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 74.430000000000007 110.993 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 147.59 33.92 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.506 1.793 . . . . 74.120000000000005 110.972 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 834' ' ' SER . . . . . 0.58 ' OG ' ' CH2' ' A' ' 821' ' ' TRP . 3.1 t -84.23 3.89 33.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 73.439999999999998 110.028 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -95.57 -12.46 25.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 72.109999999999999 109.319 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -110.24 -5.25 15.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 74.319999999999993 110.988 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . 0.488 HG11 ' CD2' ' A' ' 832' ' ' PHE . 21.0 m -121.88 179.3 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 72.420000000000002 109.291 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 838' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 788' ' ' LYS . 78.1 mt-10 -151.45 126.12 9.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 75.420000000000002 110.34 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 839' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 840' ' ' ASP . 0.0 OUTLIER -117.37 175.23 5.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 74.420000000000002 110.278 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 840' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 839' ' ' GLU . 46.7 t0 40.48 36.21 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 74.319999999999993 109.307 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 841' ' ' TYR . . . . . 0.518 ' CZ ' ' HB2' ' A' ' 788' ' ' LYS . 38.9 p90 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 73.530000000000001 111.004 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 785' ' ' GLY . . . . . 0.448 ' O ' ' CG2' ' A' ' 786' ' ' THR . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 110.983 -0.847 . . . . 63.030000000000001 110.983 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 786' ' ' THR . . . . . 0.448 ' CG2' ' O ' ' A' ' 785' ' ' GLY . 3.2 p -158.12 169.88 23.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 0.777 . . . . 71.109999999999999 110.411 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 787' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 809' ' ' ILE . . . -142.19 122.81 14.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 75.140000000000001 109.288 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 788' ' ' LYS . . . . . . . . . . . . . 13.8 mtpt -70.81 165.8 22.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 75.019999999999996 109.332 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -106.2 116.88 32.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 63.229999999999997 109.322 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 790' ' ' ARG . . . . . 0.549 ' HB2' ' CE1' ' A' ' 791' ' ' TYR . 13.3 mmt180 -97.07 0.73 49.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 71.219999999999999 110.288 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 791' ' ' TYR . . . . . 0.549 ' CE1' ' HB2' ' A' ' 790' ' ' ARG . 27.4 m-85 -152.0 139.44 19.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 73.439999999999998 111.011 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -79.38 112.64 16.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 71.319999999999993 109.279 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 793' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -110.41 113.87 26.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 72.5 110.964 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 2.9 t -95.85 95.78 8.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 71.109999999999999 108.283 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -43.21 133.58 3.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 73.549999999999997 109.327 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.4 -15.2 21.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.579 1.175 . . . . 73.409999999999997 110.306 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -141.89 174.5 10.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 71.239999999999995 109.297 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -81.63 3.48 25.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 75.150000000000006 110.32 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 97.3 p -102.71 8.52 39.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 61.240000000000002 110.004 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -121.1 148.64 43.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 73.209999999999994 110.296 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 801' ' ' LEU . . . . . 0.42 ' HB2' ' N ' ' A' ' 831' ' ' TRP . 0.9 OUTLIER -85.68 137.86 32.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 73.409999999999997 109.245 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 802' ' ' SER . . . . . 0.408 ' N ' HD21 ' A' ' 801' ' ' LEU . 0.2 OUTLIER -77.68 97.85 5.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 73.129999999999995 110.003 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 803' ' ' LEU . . . . . 0.445 HD23 ' CG1' ' A' ' 837' ' ' VAL . 1.0 OUTLIER -93.12 153.41 18.68 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.464 1.102 . . . . 73.430000000000007 109.289 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 8.4 mtmm -163.4 120.78 1.86 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 75.340000000000003 109.283 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -44.83 147.74 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 75.030000000000001 110.338 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 75.93 21.39 76.44 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.451 1.094 . . . . 51.340000000000003 111.033 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -128.94 163.06 26.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.745 . . . . 75.239999999999995 109.279 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 808' ' ' ILE . . . . . 0.548 ' N ' ' CD1' ' A' ' 808' ' ' ILE . 0.0 OUTLIER -110.31 152.62 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 71.129999999999995 109.293 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 809' ' ' ILE . . . . . 0.578 ' CG2' ' CZ ' ' A' ' 832' ' ' PHE . 1.2 mp -123.72 116.9 49.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 74.430000000000007 109.318 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 810' ' ' LYS . . . . . 0.415 ' HD2' ' N ' ' A' ' 811' ' ' ILE . 5.9 tptm -75.79 115.9 15.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 73.219999999999999 109.322 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 811' ' ' ILE . . . . . 0.415 ' N ' ' HD2' ' A' ' 810' ' ' LYS . 2.8 mm -74.6 116.12 16.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 71.409999999999997 109.318 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 812' ' ' LEU . . . . . 0.414 ' CD2' ' HG3' ' A' ' 810' ' ' LYS . 0.9 OUTLIER -107.66 -49.89 3.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 74.209999999999994 109.296 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 813' ' ' ASN . . . . . 0.435 HD21 ' N ' ' A' ' 814' ' ' LYS . 0.1 OUTLIER -128.5 136.58 50.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 74.439999999999998 109.299 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 814' ' ' LYS . . . . . 0.435 ' N ' HD21 ' A' ' 813' ' ' ASN . 14.4 ttpp . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 74.019999999999996 109.291 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.977 -0.849 . . . . 43.350000000000001 110.977 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 820' ' ' TRP . . . . . 0.743 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.4 OUTLIER -142.35 172.16 13.06 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.022 -1.103 . . . . 73.329999999999998 108.022 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 821' ' ' TRP . . . . . 0.556 ' CH2' ' HB2' ' A' ' 834' ' ' SER . 45.4 m0 -127.53 136.49 51.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 75.329999999999998 108.019 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 822' ' ' ARG . . . . . 0.417 ' HB3' ' CB ' ' A' ' 813' ' ' ASN . 5.9 tmm_? -87.92 102.37 14.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 74.099999999999994 110.297 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -121.99 -158.1 10.21 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.498 1.124 . . . . 44.210000000000001 110.99 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 824' ' ' GLU . . . . . 0.472 ' HB2' ' CD1' ' A' ' 829' ' ' ILE . 0.5 OUTLIER -165.66 149.61 8.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 0.787 . . . . 62.5 110.314 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 825' ' ' ILE . . . . . 0.569 HG23 ' CD2' ' A' ' 826' ' ' TYR . 2.7 mt -139.08 127.67 28.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 75.530000000000001 109.267 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 826' ' ' TYR . . . . . 0.569 ' CD2' HG23 ' A' ' 825' ' ' ILE . 3.8 m-30 61.39 16.73 7.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 74.319999999999993 111.011 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 98.5 -8.76 62.31 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.515 1.134 . . . . 73.019999999999996 111.0 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.21 118.24 23.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 0.738 . . . . 74.530000000000001 110.259 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 829' ' ' ILE . . . . . 0.472 ' CD1' ' HB2' ' A' ' 824' ' ' GLU . 2.5 mm -88.46 158.4 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 74.409999999999997 109.295 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 172.83 -165.37 37.71 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.49 1.119 . . . . 71.430000000000007 110.962 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 831' ' ' TRP . . . . . 0.743 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 63.3 m95 -127.77 150.36 49.84 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.995 -1.113 . . . . 73.239999999999995 107.995 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 832' ' ' PHE . . . . . 0.578 ' CZ ' ' CG2' ' A' ' 809' ' ' ILE . 46.7 p90 -155.67 153.22 25.83 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 75.200000000000003 110.98 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 833' ' ' PRO . . . . . 0.493 ' HG2' ' CG ' ' A' ' 836' ' ' TYR . 18.4 Cg_endo -74.98 146.61 32.92 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.498 1.789 . . . . 73.329999999999998 111.028 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 834' ' ' SER . . . . . 0.556 ' HB2' ' CH2' ' A' ' 821' ' ' TRP . 6.9 p -82.4 3.31 28.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 74.219999999999999 110.064 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -103.98 0.37 29.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 71.209999999999994 109.333 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 836' ' ' TYR . . . . . 0.493 ' CG ' ' HG2' ' A' ' 833' ' ' PRO . 10.4 m-85 -117.21 17.99 14.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 75.209999999999994 111.044 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . 0.445 ' CG1' HD23 ' A' ' 803' ' ' LEU . 24.8 m -151.14 157.3 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 74.219999999999999 109.308 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 838' ' ' GLU . . . . . 0.443 ' OE1' ' NH2' ' A' ' 790' ' ' ARG . 12.1 mt-10 -87.04 179.85 6.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 71.109999999999999 110.33 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 31.9 mp0 -154.96 129.96 9.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 75.230000000000004 110.284 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 30.7 t70 43.63 31.31 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 74.340000000000003 109.315 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 841' ' ' TYR . . . . . . . . . . . . . 20.4 p90 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 74.329999999999998 111.036 179.947 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.976 -0.85 . . . . 71.420000000000002 110.976 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 2.4 p -150.66 172.25 15.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 0.784 . . . . 63.329999999999998 110.372 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -143.55 117.7 9.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 71.25 109.312 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 788' ' ' LYS . . . . . 0.556 ' HB2' ' CE2' ' A' ' 841' ' ' TYR . 10.2 tttt -76.7 121.39 23.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 74.420000000000002 109.304 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 789' ' ' ALA . . . . . 0.416 ' HB2' ' CD1' ' A' ' 809' ' ' ILE . . . -64.81 134.45 54.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 75.409999999999997 109.297 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 790' ' ' ARG . . . . . 0.481 ' C ' ' CD1' ' A' ' 791' ' ' TYR . 10.3 mmt85 -115.97 0.27 13.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 74.120000000000005 110.359 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 791' ' ' TYR . . . . . 0.481 ' CD1' ' C ' ' A' ' 790' ' ' ARG . 25.9 m-85 -144.15 137.8 27.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 75.319999999999993 111.019 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -75.38 119.56 19.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 75.310000000000002 109.309 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 793' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -128.76 113.9 15.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 73.430000000000007 110.99 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 21.4 t -85.39 139.11 31.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 74.120000000000005 108.318 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -93.18 98.58 11.38 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 64.010000000000005 109.3 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 16.9 mmt-85 -51.27 -24.92 4.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 74.420000000000002 110.285 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -151.21 178.57 9.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 75.329999999999998 109.318 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 44.2 mtp180 -73.02 -4.01 29.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 74.099999999999994 110.334 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 10.9 p -79.69 -20.64 46.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 71.120000000000005 110.012 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -105.12 149.97 25.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 64.329999999999998 110.288 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 801' ' ' LEU . . . . . 0.481 HD12 ' CD1' ' A' ' 832' ' ' PHE . 1.0 OUTLIER -84.42 132.63 34.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 63.520000000000003 109.284 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.67 100.8 2.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 71.519999999999996 110.012 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 803' ' ' LEU . . . . . . . . . . . . . 2.3 tp -97.48 146.51 25.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 74.450000000000003 109.298 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.89 111.7 2.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 73.439999999999998 109.279 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 805' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 791' ' ' TYR . 3.0 mt-10 -39.7 146.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 65.140000000000001 110.277 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 77.4 19.57 76.26 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.53 1.144 . . . . 71.040000000000006 111.031 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -126.74 163.82 22.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 0.739 . . . . 72.549999999999997 109.297 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 808' ' ' ILE . . . . . 0.537 ' N ' ' CD1' ' A' ' 808' ' ' ILE . 0.0 OUTLIER -108.65 148.01 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 71.230000000000004 109.293 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 809' ' ' ILE . . . . . 0.559 HG22 ' CZ ' ' A' ' 832' ' ' PHE . 1.2 mp -118.83 116.29 50.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 71.25 109.261 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 810' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -75.27 113.69 12.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 63.439999999999998 109.246 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 811' ' ' ILE . . . . . . . . . . . . . 2.9 mm -72.77 113.91 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 73.230000000000004 109.264 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 812' ' ' LEU . . . . . 0.463 ' CD1' ' HA2' ' A' ' 823' ' ' GLY . 0.8 OUTLIER -105.07 -48.68 3.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 74.230000000000004 109.299 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -130.94 140.28 50.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 73.25 109.276 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 814' ' ' LYS . . . . . . . . . . . . . 15.9 ttpp . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.531 1.145 . . . . 75.219999999999999 109.241 -179.975 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.969 -0.852 . . . . 61.509999999999998 110.969 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 820' ' ' TRP . . . . . 0.737 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.4 OUTLIER -142.35 172.54 12.55 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.015 -1.105 . . . . 75.420000000000002 108.015 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 821' ' ' TRP . . . . . 0.56 ' O ' ' CD1' ' A' ' 832' ' ' PHE . 40.0 m0 -128.89 136.39 50.36 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.978 -1.119 . . . . 74.409999999999997 107.978 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 822' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -86.78 109.24 19.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 75.129999999999995 110.294 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 823' ' ' GLY . . . . . 0.463 ' HA2' ' CD1' ' A' ' 812' ' ' LEU . . . -137.77 -175.66 14.01 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.449 1.093 . . . . 44.439999999999998 111.031 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 824' ' ' GLU . . . . . 0.443 ' HB3' ' CD1' ' A' ' 829' ' ' ILE . 0.8 OUTLIER -141.24 167.46 22.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 0.744 . . . . 73.530000000000001 110.306 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 825' ' ' ILE . . . . . 0.464 HD13 ' CD1' ' A' ' 809' ' ' ILE . 1.9 mt -156.91 122.12 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 74.430000000000007 109.337 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 826' ' ' TYR . . . . . 0.471 ' CD1' ' N ' ' A' ' 826' ' ' TYR . 5.4 m-30 58.44 23.92 11.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 75.019999999999996 111.02 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 90.44 10.23 63.96 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.509 1.131 . . . . 73.420000000000002 110.976 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 80.7 mtt-85 -99.74 111.45 23.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 0.765 . . . . 73.510000000000005 110.313 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 829' ' ' ILE . . . . . 0.443 ' CD1' ' HB3' ' A' ' 824' ' ' GLU . 4.8 mm -90.49 155.14 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 72.230000000000004 109.299 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 168.66 -160.26 33.69 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.495 1.122 . . . . 74.450000000000003 111.003 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 831' ' ' TRP . . . . . 0.737 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 61.7 m95 -128.19 147.7 50.58 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.987 -1.116 . . . . 73.430000000000007 107.987 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 832' ' ' PHE . . . . . 0.56 ' CD1' ' O ' ' A' ' 821' ' ' TRP . 32.0 p90 -150.18 151.02 30.9 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 74.420000000000002 111.011 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 148.32 35.41 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.514 1.797 . . . . 75.510000000000005 111.01 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 834' ' ' SER . . . . . 0.551 ' HB2' ' CH2' ' A' ' 821' ' ' TRP . 15.1 p -84.19 3.94 32.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 75.329999999999998 110.019 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -96.4 -11.82 25.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 75.510000000000005 109.253 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 836' ' ' TYR . . . . . 0.466 ' HA ' ' CD1' ' A' ' 791' ' ' TYR . 5.9 m-85 -113.7 27.55 9.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 73.510000000000005 110.993 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . 0.425 ' CG1' ' O ' ' A' ' 836' ' ' TYR . 25.3 m -154.39 163.25 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 75.200000000000003 109.272 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 838' ' ' GLU . . . . . 0.42 ' HG2' ' CG ' ' A' ' 790' ' ' ARG . 59.6 mm-40 -135.23 123.99 23.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 74.450000000000003 110.345 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -113.25 155.19 25.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 75.439999999999998 110.293 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 46.8 t0 57.13 51.37 10.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 70.019999999999996 109.322 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 841' ' ' TYR . . . . . 0.556 ' CE2' ' HB2' ' A' ' 788' ' ' LYS . 28.8 p90 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 70.439999999999998 110.959 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 110.998 -0.841 . . . . 65.019999999999996 110.998 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 3.2 p -153.24 170.49 20.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 0.741 . . . . 74.310000000000002 110.382 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -144.96 107.48 4.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 71.209999999999994 109.282 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 788' ' ' LYS . . . . . 0.505 ' HB2' ' CZ ' ' A' ' 841' ' ' TYR . 36.7 tttt -66.71 130.92 44.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 73.150000000000006 109.299 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 789' ' ' ALA . . . . . 0.45 ' HB2' ' CD1' ' A' ' 809' ' ' ILE . . . -77.47 133.72 38.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 71.099999999999994 109.325 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 790' ' ' ARG . . . . . 0.495 ' C ' ' CG ' ' A' ' 791' ' ' TYR . 17.9 mmm180 -104.23 -0.12 28.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 74.25 110.281 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 791' ' ' TYR . . . . . 0.495 ' CG ' ' C ' ' A' ' 790' ' ' ARG . 32.2 m-85 -159.35 128.93 5.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 72.230000000000004 111.003 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -65.77 108.99 2.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 75.219999999999999 109.316 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 793' ' ' PHE . . . . . 0.452 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.2 t80 -98.54 123.03 42.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 75.120000000000005 111.009 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 58.5 m -87.65 124.27 33.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 74.340000000000003 108.27 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -88.19 125.49 34.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 75.439999999999998 109.293 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -98.32 -24.81 15.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 74.040000000000006 110.331 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -139.3 172.63 12.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 75.040000000000006 109.326 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -68.57 -8.54 42.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 75.129999999999995 110.259 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 60.5 p -88.89 16.35 7.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 74.109999999999999 109.98 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 800' ' ' GLU . . . . . 0.422 ' CD ' ' CE2' ' A' ' 793' ' ' PHE . 11.4 tt0 -139.79 145.88 38.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 75.420000000000002 110.293 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 801' ' ' LEU . . . . . 0.419 HD21 ' N ' ' A' ' 802' ' ' SER . 0.9 OUTLIER -101.77 136.61 41.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 73.310000000000002 109.312 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 802' ' ' SER . . . . . 0.419 ' N ' HD21 ' A' ' 801' ' ' LEU . 4.1 m -76.58 100.97 5.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 71.340000000000003 109.97 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 803' ' ' LEU . . . . . 0.452 ' HB2' ' CB ' ' A' ' 793' ' ' PHE . 0.6 OUTLIER -94.21 157.11 16.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 75.030000000000001 109.262 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 804' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 805' ' ' GLU . 0.4 OUTLIER -156.28 111.41 2.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 73.400000000000006 109.283 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 805' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 804' ' ' LYS . 5.0 mt-10 -38.91 135.0 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 62.130000000000003 110.31 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 91.47 -8.06 79.36 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.528 1.142 . . . . 72.120000000000005 110.977 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -99.8 159.28 15.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 0.789 . . . . 61.32 109.285 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 808' ' ' ILE . . . . . 0.54 ' N ' ' CD1' ' A' ' 808' ' ' ILE . 0.0 OUTLIER -110.36 138.03 40.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 70.340000000000003 109.287 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 809' ' ' ILE . . . . . 0.647 ' CG2' ' CZ ' ' A' ' 832' ' ' PHE . 1.3 mp -107.17 114.87 47.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 63.409999999999997 109.29 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 810' ' ' LYS . . . . . 0.447 ' HG3' ' CD2' ' A' ' 812' ' ' LEU . 5.1 tptm -68.18 113.63 5.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 65.450000000000003 109.288 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 811' ' ' ILE . . . . . . . . . . . . . 4.3 mm -76.76 110.02 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 71.010000000000005 109.289 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 812' ' ' LEU . . . . . 0.447 ' CD2' ' HG3' ' A' ' 810' ' ' LYS . 1.3 mt -100.16 -38.08 8.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 74.129999999999995 109.288 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -141.89 140.13 32.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 73.430000000000007 109.311 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 814' ' ' LYS . . . . . 0.415 ' HG3' ' NE1' ' A' ' 821' ' ' TRP . 11.6 ttpp . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 71.439999999999998 109.29 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.966 -0.854 . . . . 53.210000000000001 110.966 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 820' ' ' TRP . . . . . 0.493 ' CE3' ' HB3' ' A' ' 831' ' ' TRP . 0.3 OUTLIER -142.34 171.44 14.05 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.974 -1.121 . . . . 73.329999999999998 107.974 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 821' ' ' TRP . . . . . 0.549 ' CH2' ' HB2' ' A' ' 834' ' ' SER . 50.3 m0 -124.49 143.25 50.76 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.955 -1.128 . . . . 75.140000000000001 107.955 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 822' ' ' ARG . . . . . 0.508 ' HG3' ' CE2' ' A' ' 831' ' ' TRP . 1.9 ttt180 -95.76 102.57 14.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 74.420000000000002 110.329 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -126.18 -165.87 12.11 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 74.319999999999993 111.009 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 824' ' ' GLU . . . . . 0.49 ' CG ' ' N ' ' A' ' 825' ' ' ILE . 18.6 tt0 -156.65 158.8 37.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 0.738 . . . . 74.420000000000002 110.329 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 825' ' ' ILE . . . . . 0.49 ' N ' ' CG ' ' A' ' 824' ' ' GLU . 3.1 mt -148.22 128.18 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 75.120000000000005 109.314 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 56.96 23.1 7.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 75.200000000000003 110.974 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 88.54 14.71 61.19 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.494 1.121 . . . . 75.430000000000007 110.989 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . 0.48 ' CD ' ' O ' ' A' ' 825' ' ' ILE . 2.8 mpt_? -105.45 114.14 28.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.583 0.814 . . . . 75.430000000000007 110.303 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 829' ' ' ILE . . . . . 0.461 ' CD1' ' HB2' ' A' ' 824' ' ' GLU . 2.5 mm -87.39 153.44 3.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 75.239999999999995 109.296 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 176.43 -178.36 47.78 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.529 1.143 . . . . 75.319999999999993 111.006 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 831' ' ' TRP . . . . . 0.508 ' CE2' ' HG3' ' A' ' 822' ' ' ARG . 81.7 m95 -118.72 144.2 46.39 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.997 -1.112 . . . . 72.239999999999995 107.997 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 832' ' ' PHE . . . . . 0.647 ' CZ ' ' CG2' ' A' ' 809' ' ' ILE . 35.3 p90 -151.73 151.76 29.03 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 75.219999999999999 111.034 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 148.11 34.62 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.474 1.776 . . . . 72.150000000000006 110.944 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 834' ' ' SER . . . . . 0.549 ' HB2' ' CH2' ' A' ' 821' ' ' TRP . 52.0 p -83.79 3.92 31.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 75.230000000000004 109.98 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -96.33 -10.03 28.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 72.239999999999995 109.263 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -109.88 -1.68 17.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 74.430000000000007 111.0 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 33.0 m -126.38 173.69 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 74.120000000000005 109.314 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 838' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 788' ' ' LYS . 61.0 mm-40 -144.4 123.64 12.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 73.530000000000001 110.284 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.13 168.38 9.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 74.230000000000004 110.342 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 23.4 t0 40.42 46.48 2.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 73.019999999999996 109.319 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 841' ' ' TYR . . . . . 0.505 ' CZ ' ' HB2' ' A' ' 788' ' ' LYS . 37.0 p90 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 74.400000000000006 111.035 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.021 -0.832 . . . . 73.040000000000006 111.021 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 3.6 p -141.6 -178.24 5.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 0.782 . . . . 74.430000000000007 110.446 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 787' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 809' ' ' ILE . . . -148.39 110.62 4.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 71.400000000000006 109.308 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 788' ' ' LYS . . . . . 0.569 ' HB2' ' CE2' ' A' ' 841' ' ' TYR . 10.2 tttt -79.91 120.41 24.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 71.420000000000002 109.298 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -64.87 135.33 55.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 71.5 109.294 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 790' ' ' ARG . . . . . 0.423 ' CG ' ' CD ' ' A' ' 838' ' ' GLU . 4.2 mmm180 -107.84 -6.66 16.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 74.409999999999997 110.265 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 791' ' ' TYR . . . . . 0.448 ' CA ' ' HG3' ' A' ' 805' ' ' GLU . 76.9 m-85 -141.71 135.54 29.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 75.109999999999999 111.005 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -68.2 98.41 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 71.430000000000007 109.279 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 793' ' ' PHE . . . . . 0.45 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.1 t80 -83.75 178.09 8.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 73.340000000000003 111.013 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 3.8 t -152.27 111.13 3.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 73.310000000000002 108.343 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -80.4 139.32 36.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 73.239999999999995 109.26 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 796' ' ' ARG . . . . . 0.465 ' CZ ' ' HB2' ' A' ' 797' ' ' ASP . 0.0 OUTLIER -117.15 -7.6 11.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 75.549999999999997 110.309 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 797' ' ' ASP . . . . . 0.465 ' HB2' ' CZ ' ' A' ' 796' ' ' ARG . 25.4 t70 -154.22 163.81 39.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 75.109999999999999 109.286 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 36.3 ptt-85 -64.96 -18.53 65.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 75.239999999999995 110.268 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 52.1 p -73.94 -8.42 56.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 72.420000000000002 110.007 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -118.16 151.66 37.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 74.200000000000003 110.317 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 801' ' ' LEU . . . . . 0.413 HD22 ' N ' ' A' ' 802' ' ' SER . 0.8 OUTLIER -101.1 138.47 38.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 73.049999999999997 109.313 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 802' ' ' SER . . . . . 0.413 ' N ' HD22 ' A' ' 801' ' ' LEU . 0.4 OUTLIER -77.93 104.24 8.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 74.430000000000007 110.003 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 803' ' ' LEU . . . . . 0.461 HD13 ' CG1' ' A' ' 809' ' ' ILE . 2.2 mp -101.14 151.27 22.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 75.019999999999996 109.278 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -156.8 118.63 3.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 74.099999999999994 109.265 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 805' ' ' GLU . . . . . 0.448 ' HG3' ' CA ' ' A' ' 791' ' ' TYR . 4.8 mt-10 -39.15 135.3 0.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 72.140000000000001 110.273 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 85.5 4.93 85.33 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.528 1.143 . . . . 73.329999999999998 111.0 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -107.62 158.06 17.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 0.768 . . . . 73.430000000000007 109.277 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 808' ' ' ILE . . . . . 0.51 ' N ' ' CD1' ' A' ' 808' ' ' ILE . 0.0 OUTLIER -109.85 147.09 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 75.519999999999996 109.328 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 809' ' ' ILE . . . . . 0.586 ' CG2' ' CZ ' ' A' ' 832' ' ' PHE . 1.6 mp -118.63 115.97 49.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 65.239999999999995 109.274 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 810' ' ' LYS . . . . . . . . . . . . . 6.8 tptm -71.87 112.07 7.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 73.5 109.319 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 811' ' ' ILE . . . . . . . . . . . . . 15.8 mm -70.35 121.05 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 72.129999999999995 109.306 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 812' ' ' LEU . . . . . . . . . . . . . 2.2 mt -113.09 -48.02 3.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 75.140000000000001 109.28 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -124.28 151.25 44.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 74.349999999999994 109.258 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 814' ' ' LYS . . . . . 0.526 ' HA ' ' CD1' ' A' ' 821' ' ' TRP . 9.5 mttm . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 75.540000000000006 109.359 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.988 -0.845 . . . . 63.149999999999999 110.988 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 820' ' ' TRP . . . . . 0.587 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.34 172.56 12.53 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.987 -1.116 . . . . 75.510000000000005 107.987 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 821' ' ' TRP . . . . . 0.526 ' CD1' ' HA ' ' A' ' 814' ' ' LYS . 11.9 m0 -131.41 144.69 51.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 74.310000000000002 107.99 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 822' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -90.23 132.56 35.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 74.519999999999996 110.335 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -152.23 -155.51 7.08 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.558 1.161 . . . . 63.030000000000001 111.028 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 824' ' ' GLU . . . . . 0.472 ' HB2' ' CD1' ' A' ' 829' ' ' ILE . 18.2 tt0 -167.45 156.79 10.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 0.746 . . . . 74.430000000000007 110.292 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 825' ' ' ILE . . . . . 0.569 HG23 ' CE1' ' A' ' 826' ' ' TYR . 2.3 mt -147.39 124.13 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 73.299999999999997 109.32 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 826' ' ' TYR . . . . . 0.569 ' CE1' HG23 ' A' ' 825' ' ' ILE . 3.2 m-30 61.72 19.16 10.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 75.140000000000001 110.985 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 96.73 -2.98 62.61 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.52 1.138 . . . . 74.030000000000001 111.043 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . 0.462 ' CD ' ' HB2' ' A' ' 826' ' ' TYR . 1.8 mpt_? -88.35 115.31 25.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.742 . . . . 74.400000000000006 110.287 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 829' ' ' ILE . . . . . 0.472 ' CD1' ' HB2' ' A' ' 824' ' ' GLU . 2.9 mm -87.42 155.01 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 65.530000000000001 109.332 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 173.15 -163.56 35.2 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.499 1.124 . . . . 74.409999999999997 111.006 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 831' ' ' TRP . . . . . 0.587 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 43.3 m95 -128.97 170.67 13.17 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.039 -1.097 . . . . 75.209999999999994 108.039 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 832' ' ' PHE . . . . . 0.586 ' CZ ' ' CG2' ' A' ' 809' ' ' ILE . 29.0 p90 -175.14 152.3 1.44 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.125 . . . . 71.209999999999994 111.011 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 146.79 33.17 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.779 . . . . 70.120000000000005 111.01 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 11.1 p -85.0 3.86 36.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 71.010000000000005 110.003 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -100.59 -3.83 29.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 75.099999999999994 109.282 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -110.8 -4.81 15.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.117 . . . . 75.25 111.023 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 29.1 m -128.63 166.32 26.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 75.450000000000003 109.293 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 838' ' ' GLU . . . . . 0.423 ' CD ' ' CG ' ' A' ' 790' ' ' ARG . 33.2 mt-10 -111.54 133.18 54.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 71.420000000000002 110.317 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 839' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 841' ' ' TYR . 0.3 OUTLIER -109.84 142.53 41.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 74.349999999999994 110.317 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 840' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 839' ' ' GLU . 23.7 t0 40.0 29.87 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 70.209999999999994 109.308 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 841' ' ' TYR . . . . . 0.569 ' CE2' ' HB2' ' A' ' 788' ' ' LYS . 2.1 p90 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 71.230000000000004 111.015 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 110.967 -0.853 . . . . 62.310000000000002 110.967 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 2.6 p -138.27 -179.06 5.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 0.787 . . . . 73.340000000000003 110.407 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 787' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 809' ' ' ILE . . . -150.34 104.71 3.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 73.450000000000003 109.294 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 788' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -74.31 114.08 12.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 74.140000000000001 109.335 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -58.99 126.78 29.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 64.439999999999998 109.309 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 790' ' ' ARG . . . . . 0.443 ' C ' ' CD1' ' A' ' 791' ' ' TYR . 14.0 mmt180 -107.01 -3.1 20.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 75.219999999999999 110.355 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 791' ' ' TYR . . . . . 0.443 ' CD1' ' C ' ' A' ' 790' ' ' ARG . 75.9 m-85 -153.33 128.26 9.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 73.219999999999999 111.022 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 792' ' ' ASP . . . . . 0.404 ' OD2' ' N ' ' A' ' 792' ' ' ASP . 16.7 p-10 -64.77 109.86 2.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 75.5 109.32 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 793' ' ' PHE . . . . . 0.557 ' CZ ' ' HG3' ' A' ' 833' ' ' PRO . 4.5 t80 -102.94 132.02 49.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 73.310000000000002 110.997 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 34.6 m -88.09 127.64 35.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 73.219999999999999 108.316 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 795' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 796' ' ' ARG . . . -82.2 103.43 11.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 64.450000000000003 109.303 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 796' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 795' ' ' ALA . 12.1 ptm180 -38.94 -34.89 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 74.450000000000003 110.352 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -157.06 174.69 15.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 72.310000000000002 109.286 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 4.2 tpt85 -59.09 -25.95 64.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 74.420000000000002 110.322 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.94 -21.58 64.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 71.0 109.995 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -97.25 146.21 25.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 70.450000000000003 110.304 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 801' ' ' LEU . . . . . 0.453 ' CB ' ' O ' ' A' ' 831' ' ' TRP . 4.0 tp -84.31 133.03 34.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.153 . . . . 74.239999999999995 109.318 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 9.4 t -94.98 122.32 37.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 73.519999999999996 110.008 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 803' ' ' LEU . . . . . 0.451 ' HB2' ' CB ' ' A' ' 793' ' ' PHE . 0.2 OUTLIER -96.08 160.48 14.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 73.530000000000001 109.277 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 804' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 805' ' ' GLU . 0.6 OUTLIER -157.34 110.62 2.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 73.230000000000004 109.317 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 805' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 791' ' ' TYR . 4.6 mt-10 -38.86 136.63 0.74 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 72.439999999999998 110.304 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 86.34 6.06 81.65 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.496 1.123 . . . . 51.039999999999999 111.01 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -109.43 157.16 19.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 0.787 . . . . 75.439999999999998 109.228 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 808' ' ' ILE . . . . . 0.529 ' N ' ' CD1' ' A' ' 808' ' ' ILE . 0.0 OUTLIER -109.58 138.73 35.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.528 1.142 . . . . 73.530000000000001 109.284 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 809' ' ' ILE . . . . . 0.587 ' CG2' ' CZ ' ' A' ' 832' ' ' PHE . 2.1 mp -116.13 117.23 54.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.425 1.078 . . . . 75.129999999999995 109.315 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 810' ' ' LYS . . . . . . . . . . . . . 5.3 tptm -76.23 114.21 14.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 75.400000000000006 109.261 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 811' ' ' ILE . . . . . . . . . . . . . 2.9 mm -70.2 124.36 26.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 71.400000000000006 109.333 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 812' ' ' LEU . . . . . . . . . . . . . 1.4 mt -116.23 -43.66 2.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 75.430000000000007 109.278 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -132.78 157.81 44.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 75.219999999999999 109.315 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 814' ' ' LYS . . . . . 0.415 ' HD3' ' NE1' ' A' ' 821' ' ' TRP . 13.6 mttt . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 74.120000000000005 109.292 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.066 0 N-CA-C 111.004 -0.838 . . . . 72.150000000000006 111.004 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 820' ' ' TRP . . . . . 0.542 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.47 172.05 13.22 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.021 -1.103 . . . . 74.140000000000001 108.021 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 821' ' ' TRP . . . . . 0.559 ' CZ3' ' HB2' ' A' ' 834' ' ' SER . 40.4 m0 -131.42 132.54 44.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 75.209999999999994 108.03 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 822' ' ' ARG . . . . . 0.495 ' HG3' ' CE2' ' A' ' 831' ' ' TRP . 27.3 ttt180 -90.36 113.15 24.98 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 75.239999999999995 110.269 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -132.51 -151.54 6.76 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.493 1.121 . . . . 64.150000000000006 111.03 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 824' ' ' GLU . . . . . 0.469 ' HB2' ' CD1' ' A' ' 829' ' ' ILE . 15.6 tt0 -164.23 156.87 17.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 0.736 . . . . 71.040000000000006 110.319 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 825' ' ' ILE . . . . . 0.553 HG23 ' CD2' ' A' ' 826' ' ' TYR . 2.0 mt -152.86 128.19 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 54.210000000000001 109.291 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 826' ' ' TYR . . . . . 0.553 ' CD2' HG23 ' A' ' 825' ' ' ILE . 4.3 m-30 60.73 22.48 12.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 75.329999999999998 110.956 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 89.29 4.94 73.37 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.517 1.136 . . . . 75.340000000000003 111.018 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 65.8 mtt-85 -95.85 119.04 33.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 0.772 . . . . 73.409999999999997 110.311 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 829' ' ' ILE . . . . . 0.469 ' CD1' ' HB2' ' A' ' 824' ' ' GLU . 2.6 mm -92.75 159.2 2.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 74.109999999999999 109.293 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 830' ' ' GLY . . . . . 0.418 ' N ' HD11 ' A' ' 801' ' ' LEU . . . 164.77 -158.7 31.56 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.481 1.113 . . . . 74.030000000000001 110.994 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 831' ' ' TRP . . . . . 0.542 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 52.1 m95 -130.26 174.78 9.5 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.983 -1.117 . . . . 73.329999999999998 107.983 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 832' ' ' PHE . . . . . 0.587 ' CZ ' ' CG2' ' A' ' 809' ' ' ILE . 41.0 p90 -178.33 154.43 0.91 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 75.329999999999998 110.996 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 833' ' ' PRO . . . . . 0.557 ' HG3' ' CZ ' ' A' ' 793' ' ' PHE . 18.5 Cg_endo -74.93 146.19 32.65 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.519 1.8 . . . . 74.540000000000006 111.009 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 834' ' ' SER . . . . . 0.559 ' HB2' ' CZ3' ' A' ' 821' ' ' TRP . 54.3 p -83.75 -8.74 59.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 75.019999999999996 110.028 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . 0.41 ' N ' ' OD1' ' A' ' 835' ' ' ASN . 0.7 OUTLIER -77.88 -13.9 59.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 75.230000000000004 109.326 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 836' ' ' TYR . . . . . 0.412 ' O ' ' CG1' ' A' ' 837' ' ' VAL . 15.9 m-85 -114.68 25.39 11.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 75.129999999999995 111.024 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . 0.468 ' CG2' ' HA ' ' A' ' 834' ' ' SER . 13.9 m -153.95 168.24 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 73.040000000000006 109.28 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 838' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -116.52 171.22 7.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 61.149999999999999 110.27 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 839' ' ' GLU . . . . . 0.547 ' HG3' ' CZ3' ' A' ' 821' ' ' TRP . 3.6 mm-40 -148.18 140.06 23.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 71.150000000000006 110.293 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 33.2 t70 46.23 26.04 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 75.439999999999998 109.282 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 841' ' ' TYR . . . . . 0.406 ' N ' ' C ' ' A' ' 839' ' ' GLU . 16.3 p90 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 73.030000000000001 111.002 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 110.982 -0.847 . . . . 53.219999999999999 110.982 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 781' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -26.93 10.45 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.551 1.816 . . . . 73.420000000000002 111.031 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 782' ' ' GLY . . . . . . . . . . . . . . . 52.54 172.67 0.03 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.486 1.116 . . . . 62.520000000000003 111.011 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 783' ' ' THR . . . . . . . . . . . . . 64.2 m -87.8 117.62 26.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 0.779 . . . . 74.140000000000001 110.401 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 784' ' ' PHE . . . . . 0.426 ' CZ ' ' HD2' ' A' ' 814' ' ' LYS . 34.3 m-85 -85.61 -60.56 1.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 72.040000000000006 111.013 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . 161.82 -100.24 0.18 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.485 1.115 . . . . 72.340000000000003 110.991 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 6.7 p -153.88 174.45 14.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.757 . . . . 73.0 110.354 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -140.74 108.52 5.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 71.329999999999998 109.289 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 788' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -75.05 118.35 17.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 71.040000000000006 109.325 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -62.3 142.55 57.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 64.510000000000005 109.378 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 790' ' ' ARG . . . . . 0.439 ' HG3' ' CG ' ' A' ' 838' ' ' GLU . 14.0 mmt85 -116.6 -2.3 11.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 64.140000000000001 110.291 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 791' ' ' TYR . . . . . 0.421 ' CA ' ' HG3' ' A' ' 805' ' ' GLU . 81.4 m-85 -145.25 133.71 21.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 70.439999999999998 110.994 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -67.7 98.14 0.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 72.129999999999995 109.265 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 793' ' ' PHE . . . . . 0.459 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.2 t80 -84.86 173.97 10.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 75.099999999999994 110.964 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 64.6 m -152.36 105.7 3.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 73.430000000000007 108.26 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -68.14 118.53 11.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 63.109999999999999 109.305 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -87.18 -12.15 47.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 73.430000000000007 110.291 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -134.67 -172.83 3.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 73.420000000000002 109.3 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.29 -13.54 23.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 71.430000000000007 110.245 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 44.5 p -87.72 -6.46 58.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 64.430000000000007 109.948 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -100.4 149.59 23.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 75.310000000000002 110.302 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 801' ' ' LEU . . . . . 0.529 HD13 ' CD1' ' A' ' 832' ' ' PHE . 0.9 OUTLIER -87.52 137.46 32.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 71.439999999999998 109.296 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 1.5 p -86.8 96.54 10.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 61.420000000000002 109.984 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 803' ' ' LEU . . . . . 0.468 ' CD1' HG12 ' A' ' 809' ' ' ILE . 0.9 OUTLIER -89.46 159.59 17.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 73.530000000000001 109.345 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -162.74 117.37 1.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 71.209999999999994 109.302 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 805' ' ' GLU . . . . . 0.421 ' HG3' ' CA ' ' A' ' 791' ' ' TYR . 5.5 mt-10 -41.95 138.12 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 72.400000000000006 110.274 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 83.67 8.1 85.09 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.538 1.149 . . . . 72.209999999999994 111.008 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -113.85 163.04 15.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 74.319999999999993 109.334 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 808' ' ' ILE . . . . . 0.425 ' CD1' ' N ' ' A' ' 808' ' ' ILE . 0.0 OUTLIER -113.95 146.06 19.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 74.239999999999995 109.263 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 809' ' ' ILE . . . . . 0.591 ' CG2' ' CZ ' ' A' ' 832' ' ' PHE . 1.7 mp -113.74 114.75 47.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 74.200000000000003 109.294 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 810' ' ' LYS . . . . . 0.42 ' HD2' ' N ' ' A' ' 811' ' ' ILE . 13.4 tptt -68.81 114.91 7.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 70.450000000000003 109.343 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 811' ' ' ILE . . . . . 0.42 ' N ' ' HD2' ' A' ' 810' ' ' LYS . 3.1 mm -73.7 130.83 35.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 75.519999999999996 109.284 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 812' ' ' LEU . . . . . . . . . . . . . 1.7 mt -121.19 -44.13 2.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 74.25 109.301 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -141.52 152.23 43.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.165 . . . . 75.439999999999998 109.261 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 814' ' ' LYS . . . . . 0.563 ' HG2' ' CD1' ' A' ' 821' ' ' TRP . 19.1 mttp -131.94 90.84 2.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 72.400000000000006 109.309 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . 0.452 ' HA ' ' CE ' ' A' ' 815' ' ' LYS . 0.2 OUTLIER -43.35 -34.85 1.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.175 . . . . 75.120000000000005 109.352 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 816' ' ' GLY . . . . . . . . . . . . . . . 168.49 -166.09 39.32 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 74.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -90.66 18.01 6.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 0.779 . . . . 74.310000000000002 110.273 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -157.39 136.32 11.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 70.200000000000003 110.3 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . 118.16 -109.26 1.76 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.456 1.097 . . . . 63.240000000000002 110.971 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 820' ' ' TRP . . . . . 0.516 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.33 172.67 12.37 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.026 -1.101 . . . . 75.349999999999994 108.026 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 821' ' ' TRP . . . . . 0.563 ' CD1' ' HG2' ' A' ' 814' ' ' LYS . 15.6 m0 -128.02 147.29 50.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 72.349999999999994 108.018 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 822' ' ' ARG . . . . . . . . . . . . . 6.6 ttm-85 -97.89 116.05 29.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 74.120000000000005 110.279 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -144.2 -172.26 14.76 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.491 1.119 . . . . 62.420000000000002 111.01 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 824' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -143.41 167.81 21.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.774 . . . . 74.019999999999996 110.258 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 825' ' ' ILE . . . . . 0.463 HD11 ' CD1' ' A' ' 809' ' ' ILE . 2.2 mt -157.39 123.18 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 72.25 109.282 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 8.3 m-30 57.85 20.9 7.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 75.549999999999997 111.012 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 92.55 13.78 56.47 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.463 1.102 . . . . 73.319999999999993 111.018 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -104.93 111.71 24.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 0.751 . . . . 73.219999999999999 110.272 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 829' ' ' ILE . . . . . . . . . . . . . 3.4 mm -88.29 155.13 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.11 . . . . 75.129999999999995 109.301 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 169.54 -169.7 42.2 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 62.210000000000001 110.988 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 831' ' ' TRP . . . . . 0.516 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 73.2 m95 -120.89 150.85 40.42 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.018 -1.105 . . . . 74.25 108.018 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 832' ' ' PHE . . . . . 0.591 ' CZ ' ' CG2' ' A' ' 809' ' ' ILE . 30.5 p90 -153.81 152.44 26.99 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 75.420000000000002 111.009 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 147.93 34.69 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.465 1.771 . . . . 71.239999999999995 111.026 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 834' ' ' SER . . . . . 0.551 ' HB2' ' CE3' ' A' ' 821' ' ' TRP . 7.4 t -89.69 3.88 51.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 63.219999999999999 109.996 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -94.28 -13.46 26.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 73.239999999999995 109.278 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -110.52 -2.09 16.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 65.140000000000001 110.978 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 13.8 m -125.97 169.61 17.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 72.420000000000002 109.305 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 838' ' ' GLU . . . . . 0.439 ' CG ' ' HG3' ' A' ' 790' ' ' ARG . 6.1 mm-40 -137.23 124.7 22.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 73.209999999999994 110.325 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.37 175.2 5.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 74.310000000000002 110.294 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 32.6 t70 40.55 51.64 2.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 70.129999999999995 109.299 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 841' ' ' TYR . . . . . 0.541 ' CD1' ' N ' ' A' ' 842' ' ' SER . 22.9 p90 -104.23 -36.99 7.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 74.230000000000004 111.015 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 842' ' ' SER . . . . . 0.541 ' N ' ' CD1' ' A' ' 841' ' ' TYR . 18.9 p -153.51 165.45 35.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 71.439999999999998 110.01 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -111.01 165.23 12.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 74.129999999999995 110.332 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 844' ' ' TYR . . . . . 0.401 ' O ' ' CG ' ' A' ' 844' ' ' TYR . 1.5 t80 -122.22 57.74 1.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 73.120000000000005 111.024 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 845' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -46.42 156.49 0.49 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 65.540000000000006 109.295 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 846' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 167.68 26.52 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.492 1.785 . . . . 63.310000000000002 111.002 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -66.99 158.86 29.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 74.219999999999999 110.305 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 848' ' ' THR . . . . . . . . . . . . . 6.2 p . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 63.439999999999998 110.415 -179.96 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 110.999 -0.841 . . . . 55.100000000000001 110.999 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 781' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 74.91 3.86 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.533 1.807 . . . . 74.239999999999995 110.959 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 782' ' ' GLY . . . . . . . . . . . . . . . -175.46 56.24 0.12 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.525 1.141 . . . . 65.209999999999994 110.996 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 783' ' ' THR . . . . . . . . . . . . . 92.3 m -81.85 143.68 31.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 0.791 . . . . 74.030000000000001 110.365 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 784' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -57.29 -74.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 73.230000000000004 111.015 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . 129.68 -51.74 0.85 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.442 1.089 . . . . 71.230000000000004 110.973 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 2.3 p -155.66 170.71 21.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 0.742 . . . . 75.519999999999996 110.373 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -144.92 110.19 5.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 75.349999999999994 109.356 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 788' ' ' LYS . . . . . 0.559 ' HB2' ' CE2' ' A' ' 841' ' ' TYR . 11.9 tttt -73.38 116.12 13.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 70.299999999999997 109.331 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -60.41 133.56 56.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 53.119999999999997 109.27 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 790' ' ' ARG . . . . . 0.46 ' CG ' ' HG3' ' A' ' 838' ' ' GLU . 6.1 mmp_? -107.34 -5.37 17.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 74.319999999999993 110.36 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 791' ' ' TYR . . . . . 0.45 ' CA ' ' HG3' ' A' ' 805' ' ' GLU . 71.7 m-85 -153.42 128.43 9.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.112 . . . . 73.200000000000003 110.99 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.16 108.39 1.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 70.400000000000006 109.28 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 793' ' ' PHE . . . . . 0.447 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.2 t80 -98.82 116.22 30.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 74.120000000000005 110.994 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 4.3 m -82.52 113.51 20.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 75.450000000000003 108.305 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -74.96 105.0 5.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 65.120000000000005 109.308 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -53.39 -22.94 8.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 74.349999999999994 110.315 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -161.12 178.97 8.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 74.209999999999994 109.324 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 54.8 mtp85 -67.43 -10.11 48.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 72.409999999999997 110.295 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 57.4 p -74.13 -10.15 59.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 70.219999999999999 110.034 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -120.98 159.91 24.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 71.129999999999995 110.257 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 801' ' ' LEU . . . . . 0.403 HD23 ' N ' ' A' ' 802' ' ' SER . 0.9 OUTLIER -94.87 137.62 33.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 75.450000000000003 109.296 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 802' ' ' SER . . . . . 0.403 ' N ' HD23 ' A' ' 801' ' ' LEU . 1.0 OUTLIER -83.44 105.82 14.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 65.420000000000002 109.946 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 803' ' ' LEU . . . . . 0.447 ' HB2' ' CB ' ' A' ' 793' ' ' PHE . 0.9 OUTLIER -98.32 156.01 16.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 74.010000000000005 109.276 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 804' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 805' ' ' GLU . 1.0 OUTLIER -155.95 113.09 3.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 72.219999999999999 109.287 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 805' ' ' GLU . . . . . 0.45 ' HG3' ' CA ' ' A' ' 791' ' ' TYR . 7.1 mt-10 -38.79 133.68 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 72.040000000000006 110.298 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 89.85 -1.82 81.32 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.513 1.133 . . . . 71.430000000000007 110.979 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -102.09 164.49 11.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 0.79 . . . . 75.340000000000003 109.322 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 808' ' ' ILE . . . . . 0.474 ' N ' ' CD1' ' A' ' 808' ' ' ILE . 0.0 OUTLIER -113.55 145.55 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 74.420000000000002 109.322 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 809' ' ' ILE . . . . . 0.65 ' CG2' ' CZ ' ' A' ' 832' ' ' PHE . 1.4 mp -115.86 115.66 49.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 74.430000000000007 109.328 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 810' ' ' LYS . . . . . 0.412 ' HD2' ' N ' ' A' ' 811' ' ' ILE . 5.6 tptm -70.02 114.22 7.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 73.219999999999999 109.281 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 811' ' ' ILE . . . . . 0.412 ' N ' ' HD2' ' A' ' 810' ' ' LYS . 12.2 mm -73.95 117.18 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 73.219999999999999 109.315 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 812' ' ' LEU . . . . . . . . . . . . . 1.2 mt -106.94 -53.38 2.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 75.200000000000003 109.295 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -124.71 164.54 19.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 71.299999999999997 109.299 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 814' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? -133.42 82.99 2.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 73.209999999999994 109.317 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . 0.437 ' HA ' ' CE ' ' A' ' 815' ' ' LYS . 0.3 OUTLIER -73.75 90.16 1.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 73.010000000000005 109.261 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 816' ' ' GLY . . . . . . . . . . . . . . . 59.56 147.99 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.491 1.119 . . . . 75.409999999999997 111.017 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -73.28 -17.45 61.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 0.763 . . . . 75.209999999999994 110.317 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -119.63 75.17 1.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 74.430000000000007 110.297 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . -173.17 -109.15 0.22 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.544 1.153 . . . . 62.130000000000003 111.041 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 820' ' ' TRP . . . . . 0.554 ' CE3' ' HB3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.37 172.75 12.27 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.021 -1.103 . . . . 73.239999999999995 108.021 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 821' ' ' TRP . . . . . 0.598 ' CH2' ' OG ' ' A' ' 834' ' ' SER . 41.8 m0 -128.06 144.72 51.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 73.549999999999997 108.008 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 822' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -94.64 103.38 15.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 64.430000000000007 110.32 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -130.09 -174.58 13.74 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.532 1.145 . . . . 73.510000000000005 110.983 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 824' ' ' GLU . . . . . 0.46 ' HB3' ' CD1' ' A' ' 829' ' ' ILE . 1.6 pt-20 -143.46 168.7 19.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 0.786 . . . . 74.120000000000005 110.31 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 825' ' ' ILE . . . . . 0.461 HD12 ' CD1' ' A' ' 809' ' ' ILE . 2.3 mt -156.37 123.62 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 71.109999999999999 109.318 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 826' ' ' TYR . . . . . 0.445 ' CD1' ' N ' ' A' ' 826' ' ' TYR . 5.4 m-30 58.98 20.2 7.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 75.150000000000006 111.048 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 93.54 11.3 58.33 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.5 1.125 . . . . 71.109999999999999 110.997 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -103.48 113.6 27.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 0.761 . . . . 75.510000000000005 110.26 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 829' ' ' ILE . . . . . 0.46 ' CD1' ' HB3' ' A' ' 824' ' ' GLU . 3.6 mm -88.04 157.05 3.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 74.329999999999998 109.315 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 171.51 -170.29 43.21 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.473 1.108 . . . . 53.329999999999998 110.991 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 831' ' ' TRP . . . . . 0.554 ' HB3' ' CE3' ' A' ' 820' ' ' TRP . 81.3 m95 -120.83 146.89 46.08 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.056 -1.09 . . . . 74.510000000000005 108.056 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 832' ' ' PHE . . . . . 0.65 ' CZ ' ' CG2' ' A' ' 809' ' ' ILE . 30.9 p90 -153.57 152.39 27.22 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 74.200000000000003 110.988 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 148.31 35.29 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.46 1.769 . . . . 72.140000000000001 111.008 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 834' ' ' SER . . . . . 0.598 ' OG ' ' CH2' ' A' ' 821' ' ' TRP . 6.4 t -87.49 3.9 45.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 71.239999999999995 110.003 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -99.8 -9.95 22.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 75.129999999999995 109.304 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -107.38 -4.62 18.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 74.430000000000007 111.009 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . 0.507 HG11 ' CD2' ' A' ' 832' ' ' PHE . 15.6 m -119.28 178.74 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 74.319999999999993 109.329 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 838' ' ' GLU . . . . . 0.46 ' HG3' ' CG ' ' A' ' 790' ' ' ARG . 7.3 mt-10 -111.72 173.17 6.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 75.329999999999998 110.302 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 839' ' ' GLU . . . . . 0.434 ' C ' ' N ' ' A' ' 841' ' ' TYR . 11.1 mp0 -149.79 131.66 15.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 72.209999999999994 110.293 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 30.6 t70 40.61 29.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 75.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 841' ' ' TYR . . . . . 0.559 ' CE2' ' HB2' ' A' ' 788' ' ' LYS . 21.1 p90 -55.32 -36.28 66.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 74.120000000000005 111.05 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 842' ' ' SER . . . . . 0.414 ' N ' ' CD1' ' A' ' 841' ' ' TYR . 9.3 p -156.39 134.67 11.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 65.340000000000003 109.971 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -162.17 131.03 4.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 74.549999999999997 110.279 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 844' ' ' TYR . . . . . . . . . . . . . 5.8 t80 51.82 54.35 11.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 71.319999999999993 110.983 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 845' ' ' LEU . . . . . . . . . . . . . 27.4 mt -61.16 158.55 35.15 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 70.310000000000002 109.267 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 846' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -166.95 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.459 1.768 . . . . 65.329999999999998 110.984 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -81.26 82.18 7.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 72.540000000000006 110.318 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 848' ' ' THR . . . . . . . . . . . . . 5.0 m . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 74.150000000000006 110.372 -179.967 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.001 -0.84 . . . . 75.530000000000001 111.001 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 781' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -47.7 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.532 1.806 . . . . 74.319999999999993 111.039 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 782' ' ' GLY . . . . . . . . . . . . . . . 107.37 83.4 1.57 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.49 1.119 . . . . 75.209999999999994 110.96 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 783' ' ' THR . . . . . 0.441 HG22 ' CD2' ' A' ' 784' ' ' PHE . 2.6 m -66.54 -63.88 0.98 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 0.768 . . . . 74.239999999999995 110.404 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 784' ' ' PHE . . . . . 0.482 ' CG ' ' HE2' ' A' ' 814' ' ' LYS . 95.1 m-85 -101.76 -69.45 0.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 74.400000000000006 110.985 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . 169.27 -106.25 0.24 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.508 1.13 . . . . 63.25 111.032 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 4.7 p -148.76 175.74 10.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 74.109999999999999 110.405 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 787' ' ' ALA . . . . . 0.424 ' CB ' ' O ' ' A' ' 838' ' ' GLU . . . -143.7 110.34 5.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 72.299999999999997 109.264 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 788' ' ' LYS . . . . . 0.556 ' HB2' ' CE2' ' A' ' 841' ' ' TYR . 10.4 tttt -74.79 115.74 14.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 74.420000000000002 109.275 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -53.92 135.62 42.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 70.299999999999997 109.269 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 790' ' ' ARG . . . . . 0.466 ' CG ' ' HG3' ' A' ' 838' ' ' GLU . 17.3 mmt180 -108.4 -5.79 16.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 64.5 110.31 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 791' ' ' TYR . . . . . 0.435 ' CA ' ' HG3' ' A' ' 805' ' ' GLU . 95.0 m-85 -144.86 135.68 24.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 74.329999999999998 110.953 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -68.5 96.71 0.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 75.340000000000003 109.278 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 793' ' ' PHE . . . . . 0.44 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.1 t80 -84.07 174.78 10.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 74.439999999999998 110.99 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 34.9 t -152.28 109.29 3.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 71.099999999999994 108.274 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -75.01 137.41 41.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 74.040000000000006 109.323 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 796' ' ' ARG . . . . . 0.42 ' HD3' ' N ' ' A' ' 797' ' ' ASP . 0.0 OUTLIER -117.28 -9.38 10.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 73.409999999999997 110.299 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 797' ' ' ASP . . . . . 0.42 ' N ' ' HD3' ' A' ' 796' ' ' ARG . 15.6 t0 -143.88 166.8 23.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 73.430000000000007 109.26 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 17.2 mmt85 -73.79 -8.02 54.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 74.25 110.27 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 84.9 p -92.36 12.33 22.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 70.140000000000001 109.958 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -129.97 151.78 50.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 74.109999999999999 110.249 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 801' ' ' LEU . . . . . 0.414 ' CD1' ' C ' ' A' ' 823' ' ' GLY . 0.9 OUTLIER -100.6 137.56 38.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 73.129999999999995 109.31 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 802' ' ' SER . . . . . 0.401 ' N ' HD22 ' A' ' 801' ' ' LEU . 0.6 OUTLIER -78.15 104.87 9.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 73.409999999999997 110.004 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 803' ' ' LEU . . . . . 0.456 HD12 ' CG1' ' A' ' 809' ' ' ILE . 1.2 mp -102.97 150.14 23.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 71.340000000000003 109.281 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -155.69 117.44 4.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 75.049999999999997 109.342 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 805' ' ' GLU . . . . . 0.435 ' HG3' ' CA ' ' A' ' 791' ' ' TYR . 9.8 mt-10 -39.16 134.42 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 62.219999999999999 110.274 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 88.87 -0.16 82.0 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.516 1.135 . . . . 75.230000000000004 110.986 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -103.39 158.34 16.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.77 . . . . 74.219999999999999 109.298 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 808' ' ' ILE . . . . . 0.505 ' N ' ' CD1' ' A' ' 808' ' ' ILE . 0.0 OUTLIER -108.42 141.27 24.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 75.140000000000001 109.318 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 809' ' ' ILE . . . . . 0.653 ' CG2' ' CZ ' ' A' ' 832' ' ' PHE . 1.6 mp -112.15 115.4 49.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 75.430000000000007 109.308 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 810' ' ' LYS . . . . . 0.414 ' HD2' ' N ' ' A' ' 811' ' ' ILE . 5.9 tptm -71.59 114.23 9.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 74.409999999999997 109.273 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 811' ' ' ILE . . . . . 0.414 ' N ' ' HD2' ' A' ' 810' ' ' LYS . 19.3 mm -76.61 128.58 37.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 72.120000000000005 109.342 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 812' ' ' LEU . . . . . 0.412 ' CD2' ' HG3' ' A' ' 810' ' ' LYS . 0.8 OUTLIER -119.31 -41.29 2.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 74.329999999999998 109.335 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -137.5 149.65 46.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 71.439999999999998 109.312 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 814' ' ' LYS . . . . . 0.507 ' HD3' ' CE2' ' A' ' 821' ' ' TRP . 19.3 mttm -129.42 91.28 3.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 75.25 109.286 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 9.6 mmmm -42.19 135.72 2.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 73.510000000000005 109.299 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 816' ' ' GLY . . . . . . . . . . . . . . . -43.3 -27.25 0.7 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.485 1.116 . . . . 74.450000000000003 110.989 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -103.75 167.45 9.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 0.796 . . . . 74.030000000000001 110.332 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 818' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 819' ' ' GLY . 77.1 mt-30 -80.66 2.32 26.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 71.319999999999993 110.331 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 819' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 818' ' ' GLN . . . -37.79 -83.32 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.502 1.126 . . . . 61.509999999999998 110.964 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 820' ' ' TRP . . . . . 0.715 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.31 172.8 12.2 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.992 -1.114 . . . . 75.420000000000002 107.992 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 821' ' ' TRP . . . . . 0.586 ' CH2' ' OE1' ' A' ' 839' ' ' GLU . 21.9 m0 -129.9 138.4 50.9 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.989 -1.115 . . . . 73.120000000000005 107.989 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 822' ' ' ARG . . . . . 0.429 ' HG3' ' CE2' ' A' ' 831' ' ' TRP . 3.9 ttt180 -87.28 117.32 25.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 74.129999999999995 110.268 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 823' ' ' GLY . . . . . 0.414 ' C ' ' CD1' ' A' ' 801' ' ' LEU . . . -139.95 -166.99 10.85 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.528 1.142 . . . . 64.349999999999994 111.027 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 824' ' ' GLU . . . . . 0.46 ' HB2' ' CD1' ' A' ' 829' ' ' ILE . 19.2 tt0 -155.9 156.79 35.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 0.776 . . . . 74.450000000000003 110.33 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 825' ' ' ILE . . . . . 0.569 HG23 ' CE1' ' A' ' 826' ' ' TYR . 2.7 mt -147.35 126.34 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.122 . . . . 70.120000000000005 109.312 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 826' ' ' TYR . . . . . 0.569 ' CE1' HG23 ' A' ' 825' ' ' ILE . 3.2 m-30 60.03 21.82 10.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 75.439999999999998 110.993 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 90.54 8.46 65.82 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.501 1.126 . . . . 72.540000000000006 111.021 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 62.1 mtm180 -99.52 115.08 28.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 0.78 . . . . 75.450000000000003 110.262 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 829' ' ' ILE . . . . . 0.46 ' CD1' ' HB2' ' A' ' 824' ' ' GLU . 2.7 mm -87.4 155.91 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 70.140000000000001 109.264 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 173.14 -165.55 37.79 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.537 1.148 . . . . 72.120000000000005 111.062 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 831' ' ' TRP . . . . . 0.715 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 57.1 m95 -128.58 151.8 49.05 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.989 -1.115 . . . . 74.439999999999998 107.989 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 832' ' ' PHE . . . . . 0.653 ' CZ ' ' CG2' ' A' ' 809' ' ' ILE . 30.5 p90 -156.51 153.43 24.84 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.434 1.084 . . . . 73.510000000000005 111.016 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 148.24 34.83 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.478 1.778 . . . . 72.530000000000001 111.003 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 834' ' ' SER . . . . . 0.566 ' HB2' ' CZ3' ' A' ' 821' ' ' TRP . 48.5 p -88.74 3.97 49.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 61.420000000000002 109.971 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -97.47 -12.15 22.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.108 . . . . 73.549999999999997 109.283 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -109.75 -3.33 16.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 74.219999999999999 110.972 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . 0.414 HG11 ' CD2' ' A' ' 832' ' ' PHE . 16.5 m -121.78 171.29 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 74.129999999999995 109.315 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 838' ' ' GLU . . . . . 0.466 ' HG3' ' CG ' ' A' ' 790' ' ' ARG . 5.5 mt-10 -114.31 178.82 4.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 75.319999999999993 110.347 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 839' ' ' GLU . . . . . 0.586 ' OE1' ' CH2' ' A' ' 821' ' ' TRP . 5.1 mt-10 -158.41 140.3 13.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 72.319999999999993 110.327 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 840' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 839' ' ' GLU . 26.5 t0 40.47 29.92 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 71.140000000000001 109.28 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 841' ' ' TYR . . . . . 0.556 ' CE2' ' HB2' ' A' ' 788' ' ' LYS . 21.6 p90 -62.7 -39.97 95.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.517 1.135 . . . . 71.420000000000002 110.963 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 842' ' ' SER . . . . . 0.514 ' N ' ' CD1' ' A' ' 841' ' ' TYR . 86.5 p -146.73 169.75 18.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 62.32 110.022 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -130.48 -174.41 3.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 73.120000000000005 110.333 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 844' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -102.44 49.45 0.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 72.400000000000006 111.041 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 845' ' ' LEU . . . . . . . . . . . . . 4.9 mt -49.99 158.44 0.92 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 65.519999999999996 109.327 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 846' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -165.8 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.495 1.787 . . . . 75.310000000000002 111.033 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 41.7 mp0 -83.08 97.47 8.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 72.349999999999994 110.276 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 848' ' ' THR . . . . . . . . . . . . . 11.6 p . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 71.0 110.398 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.033 -0.827 . . . . 71.230000000000004 111.033 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 781' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -2.05 12.03 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.474 1.776 . . . . 71.420000000000002 110.974 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 782' ' ' GLY . . . . . . . . . . . . . . . 178.5 41.89 0.07 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.118 . . . . 65.129999999999995 111.025 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 783' ' ' THR . . . . . . . . . . . . . 22.7 m -83.62 167.18 17.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 0.781 . . . . 53.409999999999997 110.375 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 784' ' ' PHE . . . . . 0.563 ' CZ ' ' OE2' ' A' ' 839' ' ' GLU . 3.7 m-30 -51.44 -76.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 74.540000000000006 111.023 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 785' ' ' GLY . . . . . 0.436 ' O ' ' CG2' ' A' ' 786' ' ' THR . . . 112.26 -56.71 0.46 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.457 1.098 . . . . 74.310000000000002 110.947 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 786' ' ' THR . . . . . 0.436 ' CG2' ' O ' ' A' ' 785' ' ' GLY . 2.3 p -157.69 179.48 9.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.766 . . . . 73.040000000000006 110.364 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -142.24 108.43 5.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 64.540000000000006 109.309 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 788' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 838' ' ' GLU . 10.9 tttt -74.29 115.48 13.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 63.520000000000003 109.317 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -60.88 137.69 58.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 74.340000000000003 109.259 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 790' ' ' ARG . . . . . 0.405 ' NE ' ' HA ' ' A' ' 790' ' ' ARG . 6.4 mmp_? -111.89 -5.6 14.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 75.450000000000003 110.309 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 791' ' ' TYR . . . . . 0.438 ' CA ' ' HG3' ' A' ' 805' ' ' GLU . 96.9 m-85 -150.51 128.18 11.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 73.319999999999993 111.001 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.9 112.32 3.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 74.420000000000002 109.284 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 793' ' ' PHE . . . . . 0.462 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.1 t80 -102.95 114.78 29.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 73.420000000000002 111.001 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 17.6 t -82.39 123.21 28.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 72.209999999999994 108.294 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -86.48 140.55 29.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 71.439999999999998 109.28 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 796' ' ' ARG . . . . . 0.487 ' CZ ' ' CG ' ' A' ' 797' ' ' ASP . 0.0 OUTLIER -118.05 -7.28 10.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 74.530000000000001 110.32 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 797' ' ' ASP . . . . . 0.487 ' CG ' ' CZ ' ' A' ' 796' ' ' ARG . 0.9 OUTLIER -147.15 165.25 30.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 75.219999999999999 109.315 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -70.4 -10.14 58.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 75.349999999999994 110.277 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 7.5 p -84.79 -17.04 39.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 64.329999999999998 109.973 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -99.59 150.09 22.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 73.409999999999997 110.322 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 801' ' ' LEU . . . . . 0.416 ' HB2' ' N ' ' A' ' 831' ' ' TRP . 0.8 OUTLIER -103.32 139.77 38.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 72.239999999999995 109.28 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 802' ' ' SER . . . . . 0.407 ' N ' HD23 ' A' ' 801' ' ' LEU . 4.7 t -83.07 111.24 18.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 61.32 110.013 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 803' ' ' LEU . . . . . 0.462 ' HB2' ' CB ' ' A' ' 793' ' ' PHE . 0.7 OUTLIER -103.93 161.31 14.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 72.439999999999998 109.31 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -159.03 111.76 2.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 70.120000000000005 109.281 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 805' ' ' GLU . . . . . 0.438 ' HG3' ' CA ' ' A' ' 791' ' ' TYR . 5.9 mt-10 -38.94 136.32 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 72.140000000000001 110.32 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 86.27 4.83 83.43 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.459 1.099 . . . . 71.329999999999998 110.986 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -106.04 164.54 11.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 0.8 . . . . 54.25 109.339 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 808' ' ' ILE . . . . . 0.533 ' N ' ' CD1' ' A' ' 808' ' ' ILE . 0.0 OUTLIER -113.06 144.13 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 75.510000000000005 109.278 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 809' ' ' ILE . . . . . 0.644 ' CG2' ' CZ ' ' A' ' 832' ' ' PHE . 1.5 mp -117.79 116.11 50.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 72.450000000000003 109.344 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 810' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 811' ' ' ILE . 5.7 tptm -74.91 114.17 13.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 73.439999999999998 109.28 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 811' ' ' ILE . . . . . 0.417 ' N ' ' HD2' ' A' ' 810' ' ' LYS . 2.9 mm -70.77 128.28 33.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 54.130000000000003 109.271 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 812' ' ' LEU . . . . . . . . . . . . . 1.1 mt -121.47 -50.5 2.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 74.540000000000006 109.316 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 813' ' ' ASN . . . . . 0.462 ' CB ' ' HB3' ' A' ' 822' ' ' ARG . 2.6 t30 -129.02 88.2 2.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 74.540000000000006 109.281 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 814' ' ' LYS . . . . . 0.553 ' HE3' ' CE2' ' A' ' 784' ' ' PHE . 2.1 ttpm? -84.25 79.61 9.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 64.340000000000003 109.294 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 16.7 mtpp -40.7 -46.54 2.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 73.430000000000007 109.292 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 816' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 818' ' ' GLN . . . 159.53 150.74 5.92 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.534 1.146 . . . . 64.409999999999997 111.039 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -39.07 -29.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.757 . . . . 75.329999999999998 110.266 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 818' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 816' ' ' GLY . 72.2 mt-30 -100.39 109.81 21.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 74.129999999999995 110.264 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . 130.6 -119.58 2.77 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.523 1.139 . . . . 61.310000000000002 110.968 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 820' ' ' TRP . . . . . 0.739 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.4 OUTLIER -142.32 171.85 13.5 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.003 -1.11 . . . . 64.219999999999999 108.003 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 821' ' ' TRP . . . . . 0.588 ' O ' ' CE1' ' A' ' 832' ' ' PHE . 43.0 m0 -126.96 134.16 50.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 75.120000000000005 108.007 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 822' ' ' ARG . . . . . 0.462 ' HB3' ' CB ' ' A' ' 813' ' ' ASN . 5.4 ttm180 -88.44 102.96 15.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 64.510000000000005 110.291 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -127.43 -169.92 12.76 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.517 1.136 . . . . 73.430000000000007 110.973 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 824' ' ' GLU . . . . . 0.464 ' HB2' ' CD1' ' A' ' 829' ' ' ILE . 0.7 OUTLIER -151.49 149.69 29.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 0.792 . . . . 75.409999999999997 110.237 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 825' ' ' ILE . . . . . 0.468 HD11 ' CD1' ' A' ' 809' ' ' ILE . 3.2 mt -139.21 127.73 28.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 71.219999999999999 109.284 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 826' ' ' TYR . . . . . 0.469 ' CD1' ' N ' ' A' ' 826' ' ' TYR . 5.2 m-30 58.64 26.87 15.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 75.329999999999998 111.052 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 84.96 9.62 80.33 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.497 1.123 . . . . 74.230000000000004 111.005 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 56.6 mtt-85 -100.68 116.59 32.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 0.796 . . . . 74.319999999999993 110.319 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 829' ' ' ILE . . . . . 0.464 ' CD1' ' HB2' ' A' ' 824' ' ' GLU . 2.7 mm -87.37 160.55 2.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.464 1.103 . . . . 72.5 109.284 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 165.22 -176.32 40.91 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.526 1.141 . . . . 71.329999999999998 111.018 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 831' ' ' TRP . . . . . 0.739 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 64.6 m95 -117.55 148.9 41.46 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.029 -1.101 . . . . 74.200000000000003 108.029 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 832' ' ' PHE . . . . . 0.644 ' CZ ' ' CG2' ' A' ' 809' ' ' ILE . 38.8 p90 -152.94 152.06 27.5 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 71.530000000000001 110.95 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 147.68 34.27 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.53 1.805 . . . . 73.219999999999999 110.978 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 834' ' ' SER . . . . . 0.56 ' HB2' ' CH2' ' A' ' 821' ' ' TRP . 88.4 p -89.07 3.9 50.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 73.140000000000001 110.01 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 54.8 m-20 -95.55 -10.84 28.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 72.420000000000002 109.287 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -108.87 -7.3 15.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 74.340000000000003 110.998 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . 0.448 ' CG2' ' HA ' ' A' ' 834' ' ' SER . 30.8 m -118.69 176.98 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 74.329999999999998 109.284 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 838' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 788' ' ' LYS . 75.6 mt-10 -147.61 125.6 12.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 75.439999999999998 110.324 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 839' ' ' GLU . . . . . 0.563 ' OE2' ' CZ ' ' A' ' 784' ' ' PHE . 0.9 OUTLIER -118.26 178.17 4.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 73.239999999999995 110.341 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 25.9 t0 44.64 40.3 3.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 71.340000000000003 109.275 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 841' ' ' TYR . . . . . 0.575 ' CD1' ' N ' ' A' ' 842' ' ' SER . 28.9 p90 -96.66 -38.76 9.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 73.230000000000004 110.986 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 842' ' ' SER . . . . . 0.575 ' N ' ' CD1' ' A' ' 841' ' ' TYR . 31.7 p -155.01 174.55 15.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 73.409999999999997 110.043 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 14.4 mp0 -121.05 172.51 7.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 73.530000000000001 110.33 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 844' ' ' TYR . . . . . 0.498 ' O ' ' CD1' ' A' ' 844' ' ' TYR . 1.0 OUTLIER -133.91 37.77 3.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 72.219999999999999 110.977 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 845' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -69.62 156.12 92.26 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 74.129999999999995 109.318 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 846' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 123.48 7.92 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.512 1.796 . . . . 74.129999999999995 111.032 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -63.54 144.71 56.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 74.510000000000005 110.36 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 848' ' ' THR . . . . . . . . . . . . . 20.4 p . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 70.5 110.413 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.975 -0.85 . . . . 43.310000000000002 110.975 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 781' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -35.11 3.3 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.515 1.798 . . . . 71.450000000000003 111.013 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 782' ' ' GLY . . . . . . . . . . . . . . . -98.04 -168.97 32.04 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.443 1.089 . . . . 63.140000000000001 111.001 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 783' ' ' THR . . . . . . . . . . . . . 2.9 m -134.28 -174.75 3.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 0.753 . . . . 73.329999999999998 110.439 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 784' ' ' PHE . . . . . 0.43 ' CE2' ' HE3' ' A' ' 814' ' ' LYS . 4.8 m-30 -75.43 -75.47 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 75.129999999999995 110.952 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 785' ' ' GLY . . . . . 0.463 ' O ' ' CG2' ' A' ' 786' ' ' THR . . . -177.85 -116.58 0.49 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.539 1.149 . . . . 74.329999999999998 110.98 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 786' ' ' THR . . . . . 0.463 ' CG2' ' O ' ' A' ' 785' ' ' GLY . 2.3 p -158.72 170.07 22.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.76 . . . . 74.540000000000006 110.385 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -147.63 107.39 3.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 73.209999999999994 109.283 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 788' ' ' LYS . . . . . 0.478 ' HB2' ' CZ ' ' A' ' 841' ' ' TYR . 36.9 tttt -65.55 132.45 48.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 74.340000000000003 109.296 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -77.73 128.98 34.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 73.400000000000006 109.299 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 790' ' ' ARG . . . . . 0.46 ' C ' ' CD1' ' A' ' 791' ' ' TYR . 21.9 mmm180 -99.25 -3.79 33.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 61.509999999999998 110.284 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 791' ' ' TYR . . . . . 0.46 ' CD1' ' C ' ' A' ' 790' ' ' ARG . 41.0 m-85 -157.01 128.66 7.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 72.439999999999998 110.993 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.24 118.14 9.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 75.209999999999994 109.295 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 793' ' ' PHE . . . . . 0.464 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.2 t80 -105.74 128.34 53.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 74.430000000000007 111.015 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 55.8 m -92.08 105.06 17.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 73.040000000000006 108.28 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -66.73 111.13 3.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 64.549999999999997 109.281 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.53 -20.57 65.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 73.040000000000006 110.324 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -162.28 -177.82 5.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 73.510000000000005 109.296 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 46.4 mtt-85 -67.51 -11.47 58.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 65.329999999999998 110.307 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 26.4 p -73.12 -10.95 60.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 70.400000000000006 109.964 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -124.55 160.51 28.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 74.5 110.27 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 801' ' ' LEU . . . . . 0.417 HD21 ' N ' ' A' ' 802' ' ' SER . 0.8 OUTLIER -102.6 140.1 37.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 73.409999999999997 109.358 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 802' ' ' SER . . . . . 0.417 ' N ' HD21 ' A' ' 801' ' ' LEU . 9.8 m -78.61 99.5 6.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 64.329999999999998 110.006 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 803' ' ' LEU . . . . . 0.464 ' HB2' ' CB ' ' A' ' 793' ' ' PHE . 1.5 mp -90.45 157.45 17.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 74.420000000000002 109.295 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 2.0 tmtm? -157.07 110.51 2.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 74.150000000000006 109.321 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 805' ' ' GLU . . . . . 0.402 ' HG3' ' CA ' ' A' ' 791' ' ' TYR . 6.3 mt-10 -38.95 134.12 1.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 75.329999999999998 110.292 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 91.53 -7.56 79.79 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 63.310000000000002 111.03 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -97.2 165.42 12.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 64.040000000000006 109.331 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 808' ' ' ILE . . . . . 0.53 ' N ' ' CD1' ' A' ' 808' ' ' ILE . 0.0 OUTLIER -115.46 137.09 50.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 74.219999999999999 109.331 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 809' ' ' ILE . . . . . 0.642 ' CG2' ' CZ ' ' A' ' 832' ' ' PHE . 1.3 mp -107.0 114.99 47.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 75.25 109.334 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 810' ' ' LYS . . . . . 0.406 ' HD2' ' N ' ' A' ' 811' ' ' ILE . 5.7 tptm -69.02 113.77 6.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 75.519999999999996 109.256 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 811' ' ' ILE . . . . . 0.406 ' N ' ' HD2' ' A' ' 810' ' ' LYS . 12.1 mm -74.95 119.82 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 72.409999999999997 109.278 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 812' ' ' LEU . . . . . . . . . . . . . 1.2 mt -110.16 -51.9 2.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 70.530000000000001 109.3 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -122.32 164.57 17.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 74.230000000000004 109.302 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 814' ' ' LYS . . . . . 0.569 ' HA ' ' CD1' ' A' ' 821' ' ' TRP . 2.9 mtmp? -134.76 83.66 2.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 74.329999999999998 109.282 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . 0.422 ' HA ' ' CE ' ' A' ' 815' ' ' LYS . 0.3 OUTLIER -82.1 138.67 34.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 74.140000000000001 109.317 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 816' ' ' GLY . . . . . . . . . . . . . . . 50.15 178.38 0.02 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.508 1.13 . . . . 63.420000000000002 110.985 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 14.8 mp0 -98.5 -35.78 10.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 72.549999999999997 110.232 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -120.85 -4.28 9.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 74.0 110.28 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . -61.27 -107.76 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.477 1.111 . . . . 45.450000000000003 111.003 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 820' ' ' TRP . . . . . 0.739 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.36 172.49 12.62 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.013 -1.106 . . . . 73.400000000000006 108.013 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 821' ' ' TRP . . . . . 0.569 ' CD1' ' HA ' ' A' ' 814' ' ' LYS . 20.4 m0 -129.5 138.36 51.33 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.985 -1.117 . . . . 71.200000000000003 107.985 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 822' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -86.72 126.69 34.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 75.140000000000001 110.301 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -145.27 -159.56 8.17 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.488 1.118 . . . . 74.010000000000005 110.965 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 824' ' ' GLU . . . . . 0.464 ' HB2' ' CD1' ' A' ' 829' ' ' ILE . 0.6 OUTLIER -168.11 148.83 4.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 0.756 . . . . 65.510000000000005 110.312 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 825' ' ' ILE . . . . . 0.555 HG21 ' CD2' ' A' ' 826' ' ' TYR . 2.8 mt -138.07 125.55 29.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 70.510000000000005 109.259 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 826' ' ' TYR . . . . . 0.555 ' CD2' HG21 ' A' ' 825' ' ' ILE . 3.3 m-30 61.18 19.14 9.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 74.019999999999996 111.033 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 98.06 -8.92 63.31 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.505 1.128 . . . . 75.040000000000006 111.014 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -82.02 116.65 21.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 0.766 . . . . 72.409999999999997 110.246 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 829' ' ' ILE . . . . . 0.464 ' CD1' ' HB2' ' A' ' 824' ' ' GLU . 3.1 mm -87.5 156.45 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 74.019999999999996 109.3 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 174.76 -164.98 36.02 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.453 1.096 . . . . 74.140000000000001 111.028 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 831' ' ' TRP . . . . . 0.739 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 44.6 m95 -131.69 169.8 15.68 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.99 -1.115 . . . . 74.099999999999994 107.99 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 832' ' ' PHE . . . . . 0.642 ' CZ ' ' CG2' ' A' ' 809' ' ' ILE . 31.6 p90 -175.79 152.66 1.32 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 73.120000000000005 111.022 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 146.75 32.98 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.493 1.786 . . . . 63.109999999999999 111.023 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 18.8 p -81.69 3.92 23.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 75.340000000000003 109.996 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 21.2 m-20 -97.56 -8.8 28.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 74.209999999999994 109.33 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -109.39 -10.17 14.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 75.200000000000003 110.997 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 30.4 m -117.78 170.58 7.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 73.219999999999999 109.31 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 838' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 788' ' ' LYS . 78.9 mt-10 -144.85 124.91 13.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 72.109999999999999 110.314 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 839' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 840' ' ' ASP . 0.0 OUTLIER -113.75 172.99 6.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 73.329999999999998 110.314 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 840' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 839' ' ' GLU . 25.4 t0 40.48 42.09 1.23 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 71.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 841' ' ' TYR . . . . . 0.478 ' CZ ' ' HB2' ' A' ' 788' ' ' LYS . 39.0 p90 -95.53 -38.05 10.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 75.420000000000002 111.013 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 842' ' ' SER . . . . . 0.436 ' N ' ' CD1' ' A' ' 841' ' ' TYR . 82.7 p -157.24 174.94 14.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 75.140000000000001 109.996 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -94.71 178.78 5.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 73.340000000000003 110.307 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 844' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -127.82 53.2 1.79 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 74.140000000000001 110.98 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 845' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -48.57 160.05 0.49 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 61.140000000000001 109.292 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 846' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 138.76 23.38 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.467 1.772 . . . . 72.0 110.981 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -60.12 102.92 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 74.530000000000001 110.33 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 848' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 73.140000000000001 110.431 179.978 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.007 -0.837 . . . . 63.329999999999998 111.007 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 781' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 130.24 13.15 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.49 1.784 . . . . 74.430000000000007 111.032 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 782' ' ' GLY . . . . . . . . . . . . . . . -137.1 27.62 2.88 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.542 1.151 . . . . 72.430000000000007 110.991 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 783' ' ' THR . . . . . . . . . . . . . 35.0 m -89.19 161.89 16.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 0.749 . . . . 72.310000000000002 110.371 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 784' ' ' PHE . . . . . 0.489 ' CD1' HG23 ' A' ' 811' ' ' ILE . 14.4 m-85 -156.17 149.65 24.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 73.049999999999997 111.03 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . -109.82 -117.91 3.96 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.475 1.109 . . . . 61.399999999999999 110.996 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 5.5 p -151.48 174.58 13.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 0.772 . . . . 75.230000000000004 110.425 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -140.57 107.88 5.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 74.409999999999997 109.3 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 788' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -74.34 115.58 14.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 74.140000000000001 109.298 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -60.72 132.12 52.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.095 . . . . 75.209999999999994 109.286 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 790' ' ' ARG . . . . . 0.468 ' C ' ' CG ' ' A' ' 791' ' ' TYR . 51.3 mmm-85 -104.58 -5.2 21.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 75.400000000000006 110.308 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 791' ' ' TYR . . . . . 0.468 ' CG ' ' C ' ' A' ' 790' ' ' ARG . 37.3 m-85 -158.09 128.81 6.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 74.129999999999995 110.993 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 7.0 p30 -58.94 124.88 21.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 72.409999999999997 109.302 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 793' ' ' PHE . . . . . 0.554 ' CE2' ' CD ' ' A' ' 800' ' ' GLU . 1.1 t80 -113.69 115.11 27.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 75.530000000000001 110.962 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 60.6 m -84.13 109.86 18.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 72.129999999999995 108.28 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -64.25 98.26 0.22 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 64.209999999999994 109.299 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -63.28 -27.84 69.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 72.319999999999993 110.294 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -135.8 174.74 10.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 62.340000000000003 109.284 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -77.93 -5.04 49.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 75.129999999999995 110.295 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 45.6 p -87.47 -8.87 55.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 70.319999999999993 109.956 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 800' ' ' GLU . . . . . 0.554 ' CD ' ' CE2' ' A' ' 793' ' ' PHE . 32.8 tt0 -105.25 160.49 15.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 74.519999999999996 110.317 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 801' ' ' LEU . . . . . 0.411 ' N ' ' CG ' ' A' ' 800' ' ' GLU . 0.9 OUTLIER -104.17 138.62 40.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 71.200000000000003 109.273 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 1.3 t -79.69 108.33 13.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.092 . . . . 74.510000000000005 110.018 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 803' ' ' LEU . . . . . 0.443 ' HB2' ' CB ' ' A' ' 793' ' ' PHE . 0.5 OUTLIER -100.34 159.46 15.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 73.239999999999995 109.295 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -155.03 112.2 3.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 72.420000000000002 109.308 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -38.86 137.29 0.67 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 75.349999999999994 110.304 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 84.54 7.43 84.56 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.119 . . . . 73.140000000000001 111.008 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -109.85 161.08 15.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.765 . . . . 74.230000000000004 109.306 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 808' ' ' ILE . . . . . 0.438 ' CD1' ' N ' ' A' ' 808' ' ' ILE . 0.0 OUTLIER -112.25 142.55 24.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 72.439999999999998 109.307 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 809' ' ' ILE . . . . . 0.624 ' CG2' ' CZ ' ' A' ' 832' ' ' PHE . 1.8 mp -111.12 114.54 47.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 74.310000000000002 109.298 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 810' ' ' LYS . . . . . 0.418 ' HD2' ' N ' ' A' ' 811' ' ' ILE . 17.4 tptt -69.7 114.13 7.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 74.129999999999995 109.305 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 811' ' ' ILE . . . . . 0.489 HG23 ' CD1' ' A' ' 784' ' ' PHE . 14.3 mm -74.7 126.85 36.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 64.109999999999999 109.305 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 812' ' ' LEU . . . . . 0.47 ' O ' ' CE2' ' A' ' 784' ' ' PHE . 0.7 OUTLIER -117.63 -40.14 3.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 74.219999999999999 109.274 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -137.65 145.35 42.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 64.319999999999993 109.287 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 814' ' ' LYS . . . . . 0.45 ' HG2' ' CD1' ' A' ' 821' ' ' TRP . 14.9 mtmm -133.66 91.25 2.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 74.430000000000007 109.291 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 17.9 mmtp -40.63 -29.74 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 74.129999999999995 109.375 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 816' ' ' GLY . . . . . 0.445 ' N ' ' C ' ' A' ' 814' ' ' LYS . . . 100.62 -83.92 0.55 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.542 1.151 . . . . 53.100000000000001 111.025 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -57.28 161.8 3.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 0.753 . . . . 72.129999999999995 110.252 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -46.5 157.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 73.230000000000004 110.314 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . 142.41 -107.23 0.48 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.524 1.14 . . . . 63.130000000000003 110.991 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 820' ' ' TRP . . . . . 0.467 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.34 172.9 12.06 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.981 -1.118 . . . . 75.420000000000002 107.981 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 821' ' ' TRP . . . . . 0.454 ' CZ3' ' HG3' ' A' ' 839' ' ' GLU . 7.9 m0 -133.01 147.43 52.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 74.340000000000003 107.977 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 822' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -88.94 153.98 20.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 75.540000000000006 110.319 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 178.49 -170.0 41.84 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.525 1.141 . . . . 73.239999999999995 111.007 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 824' ' ' GLU . . . . . 0.499 ' CG ' ' N ' ' A' ' 825' ' ' ILE . 20.3 tt0 -153.66 159.26 42.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 0.778 . . . . 75.230000000000004 110.305 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 825' ' ' ILE . . . . . 0.499 ' N ' ' CG ' ' A' ' 824' ' ' GLU . 2.9 mt -151.74 134.65 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 74.510000000000005 109.286 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 826' ' ' TYR . . . . . 0.429 ' CD1' ' N ' ' A' ' 826' ' ' TYR . 10.1 m-30 55.79 17.27 2.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 70.019999999999996 111.028 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 90.4 22.3 35.01 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.129 . . . . 74.200000000000003 110.975 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . 0.421 ' N ' ' HG3' ' A' ' 824' ' ' GLU . 15.8 mmt-85 -114.74 116.95 29.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 0.776 . . . . 72.420000000000002 110.272 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 829' ' ' ILE . . . . . 0.473 ' CD1' ' HB2' ' A' ' 824' ' ' GLU . 2.8 mm -87.28 152.91 3.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 75.239999999999995 109.311 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 171.95 -165.59 38.37 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.48 1.113 . . . . 52.009999999999998 111.015 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 831' ' ' TRP . . . . . 0.467 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 55.6 m95 -125.84 165.66 18.28 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.007 -1.108 . . . . 73.409999999999997 108.007 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 832' ' ' PHE . . . . . 0.624 ' CZ ' ' CG2' ' A' ' 809' ' ' ILE . 34.2 p90 -166.64 154.2 8.92 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 75.200000000000003 110.98 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 148.36 35.14 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.499 1.789 . . . . 72.510000000000005 111.017 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 834' ' ' SER . . . . . 0.464 ' HA ' ' CG2' ' A' ' 837' ' ' VAL . 19.6 p -88.55 3.91 48.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 74.299999999999997 109.984 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -95.45 -13.39 24.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 74.450000000000003 109.323 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -110.07 -8.13 14.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 75.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . 0.464 ' CG2' ' HA ' ' A' ' 834' ' ' SER . 23.2 m -117.43 168.2 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 74.329999999999998 109.267 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 838' ' ' GLU . . . . . 0.464 ' HG3' ' CG ' ' A' ' 790' ' ' ARG . 5.3 mt-10 -110.79 172.87 6.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 70.319999999999993 110.271 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 839' ' ' GLU . . . . . 0.454 ' HG3' ' CZ3' ' A' ' 821' ' ' TRP . 13.1 mm-40 -153.41 139.67 18.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 73.420000000000002 110.283 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 21.0 t70 40.44 29.96 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 75.140000000000001 109.355 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 841' ' ' TYR . . . . . 0.433 ' N ' ' C ' ' A' ' 839' ' ' GLU . 19.2 p90 -60.43 -28.84 68.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 73.540000000000006 111.037 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 842' ' ' SER . . . . . 0.419 ' OG ' ' CD1' ' A' ' 841' ' ' TYR . 75.6 p -150.07 176.78 10.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 63.43 110.036 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 843' ' ' GLU . . . . . 0.404 ' O ' ' CB ' ' A' ' 844' ' ' TYR . 20.8 tt0 -170.03 154.66 5.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 75.430000000000007 110.264 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 844' ' ' TYR . . . . . 0.404 ' CB ' ' O ' ' A' ' 843' ' ' GLU . 0.4 OUTLIER 67.69 41.31 2.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 74.109999999999999 111.015 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 845' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -48.65 163.97 0.3 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 62.399999999999999 109.354 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 846' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 169.81 21.8 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.504 1.791 . . . . 73.209999999999994 111.013 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -64.03 134.64 55.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 72.430000000000007 110.272 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 848' ' ' THR . . . . . . . . . . . . . 21.4 m . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 73.400000000000006 110.399 179.971 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.985 -0.846 . . . . 65.219999999999999 110.985 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 781' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 95.39 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.521 1.8 . . . . 74.420000000000002 111.033 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 782' ' ' GLY . . . . . . . . . . . . . . . -108.08 137.12 13.9 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.125 . . . . 74.349999999999994 111.019 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 783' ' ' THR . . . . . . . . . . . . . 52.0 m -126.44 144.28 50.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 0.782 . . . . 72.430000000000007 110.405 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 784' ' ' PHE . . . . . 0.614 ' CE1' ' CE ' ' A' ' 814' ' ' LYS . 16.7 m-30 -48.22 177.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 72.140000000000001 111.006 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . -170.44 -99.31 0.12 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.467 1.104 . . . . 54.329999999999998 110.988 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 2.8 p -147.92 166.04 28.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 0.754 . . . . 73.310000000000002 110.405 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 787' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 809' ' ' ILE . . . -144.86 120.89 10.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 72.129999999999995 109.348 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 788' ' ' LYS . . . . . . . . . . . . . 17.5 mtpt -75.32 156.92 35.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 75.150000000000006 109.314 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -95.07 126.77 40.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 65.25 109.287 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 790' ' ' ARG . . . . . 0.519 ' C ' ' CD1' ' A' ' 791' ' ' TYR . 5.4 mmm180 -105.17 3.08 29.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 75.349999999999994 110.287 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 791' ' ' TYR . . . . . 0.519 ' CD1' ' C ' ' A' ' 790' ' ' ARG . 55.6 m-85 -153.44 130.53 11.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 73.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -67.48 96.74 0.53 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 72.420000000000002 109.284 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 793' ' ' PHE . . . . . 0.455 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.1 t80 -84.54 176.15 8.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 75.010000000000005 111.038 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 4.4 p -152.24 105.61 3.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 73.140000000000001 108.285 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -69.22 130.79 43.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 71.519999999999996 109.285 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -101.8 -19.5 15.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.147 . . . . 73.049999999999997 110.293 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -143.3 172.92 12.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 75.430000000000007 109.295 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -73.08 -11.69 60.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 73.099999999999994 110.293 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 74.9 p -84.91 8.65 16.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 55.530000000000001 109.978 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -131.56 150.31 52.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 65.310000000000002 110.293 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 801' ' ' LEU . . . . . 0.419 HD12 ' N ' ' A' ' 824' ' ' GLU . 0.7 OUTLIER -96.06 141.27 29.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 74.019999999999996 109.306 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 802' ' ' SER . . . . . 0.416 ' N ' HD22 ' A' ' 801' ' ' LEU . 1.8 m -82.21 95.4 7.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 74.230000000000004 110.038 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 803' ' ' LEU . . . . . 0.46 HD13 ' CG1' ' A' ' 809' ' ' ILE . 1.3 mp -88.69 153.01 21.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 73.120000000000005 109.315 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 13.4 tptp -160.28 116.32 2.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 73.109999999999999 109.314 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 805' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 791' ' ' TYR . 4.8 mt-10 -39.98 137.25 0.99 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 74.430000000000007 110.302 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 84.3 7.13 85.4 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 70.530000000000001 111.051 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -113.52 158.68 20.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 74.230000000000004 109.284 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 808' ' ' ILE . . . . . 0.545 ' N ' ' CD1' ' A' ' 808' ' ' ILE . 0.0 OUTLIER -108.5 151.47 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 73.329999999999998 109.309 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 809' ' ' ILE . . . . . 0.566 HG21 ' CE1' ' A' ' 832' ' ' PHE . 1.3 mp -121.83 116.14 48.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 72.430000000000007 109.283 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 810' ' ' LYS . . . . . . . . . . . . . 8.0 tptm -73.8 112.7 10.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 74.439999999999998 109.279 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 811' ' ' ILE . . . . . 0.492 ' CG2' ' NZ ' ' A' ' 814' ' ' LYS . 14.7 mm -70.34 122.6 22.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 72.409999999999997 109.328 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 812' ' ' LEU . . . . . . . . . . . . . 2.0 mt -116.04 -46.15 2.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 72.120000000000005 109.348 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -122.28 151.19 41.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 73.200000000000003 109.322 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 814' ' ' LYS . . . . . 0.614 ' CE ' ' CE1' ' A' ' 784' ' ' PHE . 2.8 tppt? -134.0 68.74 1.48 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 74.439999999999998 109.342 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp -52.92 110.98 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 74.409999999999997 109.272 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 816' ' ' GLY . . . . . . . . . . . . . . . 68.64 -163.62 49.49 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.518 1.136 . . . . 65.420000000000002 110.974 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -87.28 -43.93 11.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 0.785 . . . . 74.329999999999998 110.309 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -146.44 139.4 25.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 64.450000000000003 110.249 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . 161.95 -91.22 0.11 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.49 1.119 . . . . 73.409999999999997 110.973 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 820' ' ' TRP . . . . . 0.456 ' CZ3' ' CG ' ' A' ' 831' ' ' TRP . 1.1 p-90 -142.42 118.49 10.68 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.995 -1.113 . . . . 73.140000000000001 107.995 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 821' ' ' TRP . . . . . 0.538 ' CD1' ' HG3' ' A' ' 814' ' ' LYS . 15.4 m0 -91.97 164.66 13.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 74.109999999999999 108.023 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 822' ' ' ARG . . . . . 0.568 ' HG3' ' CD1' ' A' ' 831' ' ' TRP . 30.3 ttt180 -121.56 121.79 38.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 75.439999999999998 110.304 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -133.97 -149.98 6.13 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.549 1.156 . . . . 75.420000000000002 111.012 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 824' ' ' GLU . . . . . 0.465 ' HB2' ' CD1' ' A' ' 829' ' ' ILE . 18.9 tt0 -163.99 153.44 14.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 0.789 . . . . 75.409999999999997 110.287 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 825' ' ' ILE . . . . . 0.556 HG23 ' CE1' ' A' ' 826' ' ' TYR . 2.3 mt -145.27 124.45 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 75.430000000000007 109.283 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 826' ' ' TYR . . . . . 0.556 ' CE1' HG23 ' A' ' 825' ' ' ILE . 2.8 m-30 60.25 25.77 15.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 75.409999999999997 110.966 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 91.07 -5.41 81.66 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.529 1.143 . . . . 61.420000000000002 110.982 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 -85.28 114.37 22.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 0.774 . . . . 75.439999999999998 110.33 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 829' ' ' ILE . . . . . 0.465 ' CD1' ' HB2' ' A' ' 824' ' ' GLU . 3.1 mm -87.45 156.04 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 75.120000000000005 109.293 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 167.91 -165.98 39.1 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.464 1.102 . . . . 71.099999999999994 110.987 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 831' ' ' TRP . . . . . 0.568 ' CD1' ' HG3' ' A' ' 822' ' ' ARG . 21.8 m95 -128.31 -177.88 4.33 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.98 -1.118 . . . . 74.25 107.98 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 832' ' ' PHE . . . . . 0.566 ' CE1' HG21 ' A' ' 809' ' ' ILE . 29.4 p90 -178.34 154.88 0.93 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 70.120000000000005 111.011 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 833' ' ' PRO . . . . . 0.505 ' HG2' ' CG ' ' A' ' 836' ' ' TYR . 18.2 Cg_endo -75.02 148.45 35.23 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.475 1.776 . . . . 74.439999999999998 111.037 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 23.6 p -81.77 4.0 23.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 73.400000000000006 109.965 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 61.6 m-80 -105.39 0.05 26.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 73.549999999999997 109.328 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 836' ' ' TYR . . . . . 0.505 ' CG ' ' HG2' ' A' ' 833' ' ' PRO . 6.4 m-85 -116.16 0.95 13.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 75.219999999999999 110.964 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 6.1 m -139.63 169.84 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 70.310000000000002 109.318 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 838' ' ' GLU . . . . . 0.407 ' O ' ' CB ' ' A' ' 787' ' ' ALA . 19.8 mt-10 -110.04 174.42 5.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 70.25 110.328 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 839' ' ' GLU . . . . . 0.525 ' HG3' ' CZ3' ' A' ' 821' ' ' TRP . 19.0 mm-40 -149.09 138.38 21.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 74.450000000000003 110.316 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 19.9 t0 40.5 29.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 64.319999999999993 109.298 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 841' ' ' TYR . . . . . 0.449 ' N ' ' C ' ' A' ' 839' ' ' GLU . 18.4 p90 -58.77 -34.26 71.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 75.409999999999997 111.03 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 842' ' ' SER . . . . . 0.408 ' N ' ' CD1' ' A' ' 841' ' ' TYR . 57.4 p -151.72 174.87 12.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 73.420000000000002 110.005 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -115.26 126.81 54.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 71.25 110.314 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 844' ' ' TYR . . . . . 0.5 ' O ' ' CD1' ' A' ' 844' ' ' TYR . 1.1 t80 -134.48 40.28 3.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 73.120000000000005 110.996 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 845' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.13 160.99 76.13 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 72.530000000000001 109.328 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 846' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 153.39 41.48 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.492 1.785 . . . . 71.340000000000003 110.997 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -45.41 157.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 75.439999999999998 110.27 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 848' ' ' THR . . . . . . . . . . . . . 5.7 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 70.040000000000006 110.421 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.003 -0.839 . . . . 63.420000000000002 111.003 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 781' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -19.44 17.88 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.512 1.796 . . . . 63.229999999999997 110.995 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 782' ' ' GLY . . . . . . . . . . . . . . . 165.82 -131.03 2.27 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.513 1.133 . . . . 54.350000000000001 111.011 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 783' ' ' THR . . . . . . . . . . . . . 3.2 m -145.55 132.95 20.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 0.758 . . . . 73.349999999999994 110.457 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 784' ' ' PHE . . . . . 0.516 ' CD1' HG22 ' A' ' 811' ' ' ILE . 84.2 m-85 -139.13 -176.59 4.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 65.25 110.961 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . -143.45 -105.69 0.53 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.46 1.1 . . . . 71.409999999999997 111.024 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 2.4 p -155.03 174.6 14.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 70.239999999999995 110.424 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 787' ' ' ALA . . . . . 0.434 ' CB ' HD12 ' A' ' 811' ' ' ILE . . . -144.81 102.99 3.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 74.349999999999994 109.289 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 788' ' ' LYS . . . . . . . . . . . . . 34.5 tttt -66.58 128.3 35.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 72.099999999999994 109.276 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -75.15 124.7 27.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 72.420000000000002 109.299 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 790' ' ' ARG . . . . . 0.456 ' O ' ' CG ' ' A' ' 791' ' ' TYR . 19.9 mmm180 -98.45 1.26 46.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 74.120000000000005 110.273 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 791' ' ' TYR . . . . . 0.456 ' CG ' ' O ' ' A' ' 790' ' ' ARG . 67.4 m-85 -159.55 128.73 5.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 62.340000000000003 110.941 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.37 109.88 2.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 65.299999999999997 109.316 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 793' ' ' PHE . . . . . 0.557 ' CE2' ' CD ' ' A' ' 800' ' ' GLU . 1.1 t80 -99.12 125.18 44.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 72.510000000000005 111.023 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 97.5 m -92.25 113.25 25.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 73.099999999999994 108.294 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -72.83 104.21 3.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 74.239999999999995 109.306 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -75.15 -25.46 58.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 74.120000000000005 110.321 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -131.58 169.72 15.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 64.540000000000006 109.261 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 56.6 mtp180 -75.52 -4.35 39.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 73.310000000000002 110.317 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 97.2 p -87.97 -12.03 45.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 75.239999999999995 109.996 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 800' ' ' GLU . . . . . 0.557 ' CD ' ' CE2' ' A' ' 793' ' ' PHE . 33.4 tt0 -103.01 157.19 17.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 65.519999999999996 110.283 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 801' ' ' LEU . . . . . 0.408 HD21 ' N ' ' A' ' 802' ' ' SER . 0.8 OUTLIER -103.81 140.02 38.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 62.100000000000001 109.326 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 802' ' ' SER . . . . . 0.408 ' N ' HD21 ' A' ' 801' ' ' LEU . 10.9 t -79.45 112.04 16.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 74.420000000000002 109.979 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 803' ' ' LEU . . . . . 0.462 ' HB2' ' CB ' ' A' ' 793' ' ' PHE . 1.1 mp -107.01 158.87 16.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 75.140000000000001 109.269 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -158.41 113.09 2.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 64.349999999999994 109.309 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -38.93 133.16 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 64.019999999999996 110.295 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 94.76 -14.22 65.73 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.465 1.103 . . . . 63.039999999999999 110.977 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -92.76 162.02 14.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 0.737 . . . . 73.549999999999997 109.288 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 808' ' ' ILE . . . . . 0.489 ' N ' ' CD1' ' A' ' 808' ' ' ILE . 0.0 OUTLIER -116.09 136.51 52.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.519 1.137 . . . . 75.329999999999998 109.328 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 809' ' ' ILE . . . . . 0.585 ' CG2' ' CZ ' ' A' ' 832' ' ' PHE . 1.4 mp -102.19 113.67 39.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 73.319999999999993 109.295 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 810' ' ' LYS . . . . . 0.419 ' HD2' ' N ' ' A' ' 811' ' ' ILE . 11.8 tptt -68.31 115.83 8.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 73.019999999999996 109.288 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 811' ' ' ILE . . . . . 0.516 HG22 ' CD1' ' A' ' 784' ' ' PHE . 5.3 mm -78.48 136.25 24.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 70.439999999999998 109.321 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 812' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -126.97 -46.99 1.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 75.340000000000003 109.301 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -135.96 141.28 44.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 73.400000000000006 109.325 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 814' ' ' LYS . . . . . 0.524 ' CD ' ' CE2' ' A' ' 821' ' ' TRP . 11.2 mtmm -125.63 89.18 2.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 75.310000000000002 109.285 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 10.3 mmmm -46.04 -26.35 0.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 75.310000000000002 109.326 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 816' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 814' ' ' LYS . . . 161.11 167.46 21.6 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 72.120000000000005 111.03 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -68.71 -7.82 37.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 0.766 . . . . 74.420000000000002 110.284 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -124.09 132.86 53.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 72.340000000000003 110.252 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . 115.52 -109.44 2.06 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.497 1.123 . . . . 72.040000000000006 111.048 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 820' ' ' TRP . . . . . 0.476 ' CE3' ' HB3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.34 172.81 12.18 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.003 -1.11 . . . . 73.129999999999995 108.003 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 821' ' ' TRP . . . . . 0.564 ' CZ3' ' HB2' ' A' ' 834' ' ' SER . 16.9 m0 -128.46 146.07 50.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 75.319999999999993 108.053 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 822' ' ' ARG . . . . . 0.504 ' HG3' ' CE2' ' A' ' 831' ' ' TRP . 7.6 ttt180 -99.39 111.23 23.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 75.519999999999996 110.264 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -131.18 -154.66 7.93 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.496 1.123 . . . . 62.109999999999999 110.962 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 824' ' ' GLU . . . . . 0.468 ' HB2' ' CD1' ' A' ' 829' ' ' ILE . 0.8 OUTLIER -168.45 149.06 4.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 0.758 . . . . 74.540000000000006 110.293 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 825' ' ' ILE . . . . . 0.565 HG21 ' CE1' ' A' ' 826' ' ' TYR . 3.6 mt -140.01 128.31 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 71.439999999999998 109.287 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 826' ' ' TYR . . . . . 0.565 ' CE1' HG21 ' A' ' 825' ' ' ILE . 3.5 m-30 60.77 21.89 11.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 75.310000000000002 110.992 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 89.71 6.0 70.73 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 74.299999999999997 110.995 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -97.74 118.09 33.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 0.771 . . . . 73.549999999999997 110.305 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 829' ' ' ILE . . . . . 0.468 ' CD1' ' HB2' ' A' ' 824' ' ' GLU . 2.9 mm -87.41 159.51 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.09 . . . . 71.25 109.302 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 169.64 -179.21 42.23 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 61.210000000000001 110.98 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 831' ' ' TRP . . . . . 0.504 ' CE2' ' HG3' ' A' ' 822' ' ' ARG . 80.5 m95 -117.85 150.14 39.68 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.963 -1.125 . . . . 75.519999999999996 107.963 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 832' ' ' PHE . . . . . 0.585 ' CZ ' ' CG2' ' A' ' 809' ' ' ILE . 32.2 p90 -157.02 153.57 24.32 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 74.120000000000005 110.985 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 148.28 35.19 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.462 1.769 . . . . 63.439999999999998 111.008 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 834' ' ' SER . . . . . 0.564 ' HB2' ' CZ3' ' A' ' 821' ' ' TRP . 60.1 p -86.56 3.91 42.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 73.129999999999995 109.999 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -96.43 -11.11 26.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 72.409999999999997 109.317 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -107.95 -4.64 17.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 73.430000000000007 110.994 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . 0.433 ' CG2' ' HA ' ' A' ' 834' ' ' SER . 16.1 m -122.47 -177.35 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 74.420000000000002 109.287 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 838' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -121.96 175.99 6.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 75.019999999999996 110.281 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 839' ' ' GLU . . . . . 0.452 ' HG3' ' CH2' ' A' ' 821' ' ' TRP . 13.4 mm-40 -150.61 138.08 19.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 73.299999999999997 110.318 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 20.0 t0 40.43 29.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 71.299999999999997 109.28 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 841' ' ' TYR . . . . . 0.473 ' CD1' ' N ' ' A' ' 842' ' ' SER . 17.0 p90 -58.34 -38.52 77.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 73.400000000000006 111.019 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 842' ' ' SER . . . . . 0.473 ' N ' ' CD1' ' A' ' 841' ' ' TYR . 24.3 p -155.63 135.86 13.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 62.229999999999997 109.975 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -94.98 158.72 15.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 72.400000000000006 110.32 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 844' ' ' TYR . . . . . 0.577 ' C ' ' CD1' ' A' ' 844' ' ' TYR . 0.0 OUTLIER -87.23 41.65 0.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 65.549999999999997 111.035 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 845' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 844' ' ' TYR . 6.7 mt -38.67 153.53 0.16 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 75.5 109.288 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 846' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 152.62 40.98 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.554 1.818 . . . . 72.129999999999995 110.978 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.72 147.33 28.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 74.319999999999993 110.322 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 848' ' ' THR . . . . . . . . . . . . . 22.0 m . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 64.430000000000007 110.375 179.986 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.966 -0.853 . . . . 72.129999999999995 110.966 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 781' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 170.87 19.46 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.478 1.778 . . . . 65.010000000000005 110.995 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 782' ' ' GLY . . . . . . . . . . . . . . . -107.5 114.86 4.38 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.475 1.109 . . . . 71.420000000000002 110.968 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 783' ' ' THR . . . . . . . . . . . . . 22.3 m -46.29 -30.67 2.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 0.753 . . . . 72.109999999999999 110.415 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 784' ' ' PHE . . . . . 0.65 ' CZ ' ' NZ ' ' A' ' 814' ' ' LYS . 19.0 m-85 -110.54 -68.57 0.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 74.239999999999995 111.008 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . 167.89 -106.51 0.26 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.461 1.101 . . . . 72.329999999999998 110.99 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 2.8 p -149.91 -179.74 7.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.775 . . . . 73.25 110.423 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 787' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' A' ' 838' ' ' GLU . . . -145.23 114.24 6.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 53.210000000000001 109.296 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 788' ' ' LYS . . . . . 0.452 ' HB2' ' CZ ' ' A' ' 841' ' ' TYR . 11.5 tttt -76.28 116.12 16.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 73.030000000000001 109.331 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -56.31 123.85 16.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 65.209999999999994 109.309 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 790' ' ' ARG . . . . . 0.427 ' C ' ' CG ' ' A' ' 791' ' ' TYR . 21.9 mmm180 -99.74 -6.3 27.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 72.310000000000002 110.287 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 791' ' ' TYR . . . . . 0.427 ' CG ' ' C ' ' A' ' 790' ' ' ARG . 68.9 m-85 -157.91 128.42 6.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 74.019999999999996 111.032 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 18.0 p-10 -60.67 121.23 11.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 75.540000000000006 109.321 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 793' ' ' PHE . . . . . 0.452 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.4 t80 -111.88 113.4 25.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 62.119999999999997 111.0 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 25.3 m -81.97 104.53 12.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 63.140000000000001 108.301 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . 0.419 ' CB ' ' HB3' ' A' ' 800' ' ' GLU . . . -61.33 98.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 72.230000000000004 109.278 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 2.8 ptp85 -47.9 -23.91 0.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 73.129999999999995 110.297 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -155.47 169.09 25.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 53.240000000000002 109.302 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.24 -16.87 49.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 74.420000000000002 110.269 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -71.74 -13.89 61.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 52.409999999999997 110.009 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 800' ' ' GLU . . . . . 0.419 ' HB3' ' CB ' ' A' ' 795' ' ' ALA . 1.4 tp10 -110.7 149.48 30.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 70.430000000000007 110.271 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 801' ' ' LEU . . . . . 0.412 HD22 ' N ' ' A' ' 802' ' ' SER . 0.8 OUTLIER -84.82 139.45 31.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 75.230000000000004 109.302 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 802' ' ' SER . . . . . 0.412 ' N ' HD22 ' A' ' 801' ' ' LEU . 1.0 OUTLIER -86.83 105.83 17.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 71.120000000000005 109.987 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 803' ' ' LEU . . . . . 0.452 ' HB2' ' CB ' ' A' ' 793' ' ' PHE . 0.5 OUTLIER -94.79 157.48 15.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 75.25 109.258 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -154.43 111.53 3.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 72.540000000000006 109.326 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -38.98 137.77 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 74.420000000000002 110.3 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 83.77 8.44 84.41 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.475 1.109 . . . . 72.450000000000003 110.982 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -112.4 162.8 15.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 74.519999999999996 109.268 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 808' ' ' ILE . . . . . 0.493 ' O ' ' CD1' ' A' ' 825' ' ' ILE . 0.0 OUTLIER -110.24 146.71 15.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 74.510000000000005 109.297 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 809' ' ' ILE . . . . . 0.61 ' CG2' ' CZ ' ' A' ' 832' ' ' PHE . 1.5 mp -118.54 116.61 51.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 72.209999999999994 109.347 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 810' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 811' ' ' ILE . 14.2 tptp -75.93 114.21 14.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 74.129999999999995 109.322 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 811' ' ' ILE . . . . . 0.413 ' N ' ' HD2' ' A' ' 810' ' ' LYS . 3.3 mm -71.33 128.84 34.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 71.439999999999998 109.303 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 812' ' ' LEU . . . . . . . . . . . . . 2.5 mt -120.17 -51.26 2.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 75.219999999999999 109.348 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 813' ' ' ASN . . . . . 0.468 ' CB ' ' HB3' ' A' ' 822' ' ' ARG . 2.9 t30 -122.46 156.6 33.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 64.239999999999995 109.293 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 814' ' ' LYS . . . . . 0.65 ' NZ ' ' CZ ' ' A' ' 784' ' ' PHE . 1.5 mmmp? -134.18 62.12 1.66 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 62.210000000000001 109.308 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -52.08 110.48 0.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 74.420000000000002 109.291 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 816' ' ' GLY . . . . . . . . . . . . . . . 43.67 -168.23 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.133 . . . . 62.310000000000002 111.008 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -113.58 172.64 6.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 0.786 . . . . 74.329999999999998 110.305 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 42.27 34.15 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 61.240000000000002 110.328 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . -122.72 -107.44 1.9 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.501 1.126 . . . . 71.319999999999993 110.969 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 820' ' ' TRP . . . . . 0.712 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.37 172.6 12.47 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.01 -1.107 . . . . 74.239999999999995 108.01 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 821' ' ' TRP . . . . . 0.593 ' O ' ' CE1' ' A' ' 832' ' ' PHE . 41.0 m0 -130.91 131.39 44.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 73.310000000000002 107.982 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 822' ' ' ARG . . . . . 0.468 ' HB3' ' CB ' ' A' ' 813' ' ' ASN . 22.1 ttp180 -87.56 99.92 12.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 75.239999999999995 110.294 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -119.0 -159.15 10.95 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.507 1.129 . . . . 60.039999999999999 111.011 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 824' ' ' GLU . . . . . 0.486 ' CG ' ' N ' ' A' ' 825' ' ' ILE . 19.8 tt0 -161.12 159.14 28.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 0.769 . . . . 63.520000000000003 110.304 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 825' ' ' ILE . . . . . 0.493 ' CD1' ' O ' ' A' ' 808' ' ' ILE . 2.4 mt -151.87 128.84 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 72.230000000000004 109.281 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 826' ' ' TYR . . . . . 0.535 ' CD2' ' NH2' ' A' ' 828' ' ' ARG . 4.8 m-30 58.51 23.93 11.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 55.219999999999999 110.985 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 85.67 17.34 62.04 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.468 1.105 . . . . 52.409999999999997 110.974 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . 0.535 ' NH2' ' CD2' ' A' ' 826' ' ' TYR . 18.8 mtm105 -108.96 114.75 28.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 0.761 . . . . 73.239999999999995 110.346 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 829' ' ' ILE . . . . . 0.471 ' CD1' ' HB2' ' A' ' 824' ' ' GLU . 2.7 mm -87.42 157.56 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 74.439999999999998 109.275 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 174.07 -169.54 42.57 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.526 1.141 . . . . 74.120000000000005 111.0 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 831' ' ' TRP . . . . . 0.712 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 70.6 m95 -126.58 142.32 51.57 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.009 -1.108 . . . . 75.140000000000001 108.009 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 832' ' ' PHE . . . . . 0.61 ' CZ ' ' CG2' ' A' ' 809' ' ' ILE . 38.5 p90 -148.76 150.95 34.34 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 73.420000000000002 111.004 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 833' ' ' PRO . . . . . 0.45 ' HG2' ' CD1' ' A' ' 836' ' ' TYR . 18.4 Cg_endo -74.99 147.47 34.03 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.492 1.785 . . . . 73.349999999999994 111.018 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 834' ' ' SER . . . . . 0.569 ' HB2' ' CH2' ' A' ' 821' ' ' TRP . 7.7 p -84.36 3.89 33.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 73.450000000000003 109.966 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -97.51 -9.4 27.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 64.329999999999998 109.276 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 836' ' ' TYR . . . . . 0.45 ' CD1' ' HG2' ' A' ' 833' ' ' PRO . 17.2 m-85 -109.97 -0.45 18.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 73.109999999999999 111.021 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . 0.407 HG12 ' CD2' ' A' ' 832' ' ' PHE . 10.8 m -126.47 -176.17 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 64.439999999999998 109.281 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 838' ' ' GLU . . . . . 0.428 ' O ' ' CB ' ' A' ' 787' ' ' ALA . 7.0 mm-40 -125.89 171.55 10.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 74.430000000000007 110.312 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 839' ' ' GLU . . . . . 0.563 ' HG3' ' CH2' ' A' ' 821' ' ' TRP . 14.5 mm-40 -148.23 140.25 24.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 75.450000000000003 110.314 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 840' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 839' ' ' GLU . 20.7 t70 40.51 29.84 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 74.319999999999993 109.284 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 841' ' ' TYR . . . . . 0.466 ' CD1' ' N ' ' A' ' 842' ' ' SER . 18.5 p90 -59.79 -37.22 78.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.433 1.083 . . . . 74.239999999999995 111.002 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 842' ' ' SER . . . . . 0.466 ' N ' ' CD1' ' A' ' 841' ' ' TYR . 82.4 p -152.22 145.51 24.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 74.340000000000003 109.997 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -90.63 133.77 34.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 64.450000000000003 110.291 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 844' ' ' TYR . . . . . 0.594 ' CD2' ' O ' ' A' ' 844' ' ' TYR . 9.6 p90 -123.9 29.04 6.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 73.530000000000001 111.016 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 845' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -44.94 158.92 0.27 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 74.540000000000006 109.301 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 846' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 137.38 21.64 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.465 1.771 . . . . 63.32 110.999 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -52.6 145.87 11.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 73.239999999999995 110.253 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 848' ' ' THR . . . . . . . . . . . . . 50.4 p . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 71.239999999999995 110.421 179.988 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.972 -0.851 . . . . 64.430000000000007 110.972 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 781' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -71.62 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.523 1.801 . . . . 73.540000000000006 111.027 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 782' ' ' GLY . . . . . . . . . . . . . . . -86.41 -136.3 4.36 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.493 1.121 . . . . 64.310000000000002 111.02 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 783' ' ' THR . . . . . . . . . . . . . 29.1 m -78.01 -0.26 27.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 0.767 . . . . 75.200000000000003 110.401 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 784' ' ' PHE . . . . . 0.55 ' CD1' ' HE3' ' A' ' 814' ' ' LYS . 22.1 m-85 -92.6 172.46 8.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 63.229999999999997 111.031 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 785' ' ' GLY . . . . . 0.49 ' O ' ' CG2' ' A' ' 786' ' ' THR . . . -164.28 -88.04 0.07 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.484 1.115 . . . . 73.430000000000007 111.005 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 786' ' ' THR . . . . . 0.49 ' CG2' ' O ' ' A' ' 785' ' ' GLY . 2.5 p -159.8 178.72 9.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 0.736 . . . . 72.129999999999995 110.373 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 787' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 809' ' ' ILE . . . -142.5 111.82 6.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 62.409999999999997 109.258 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 788' ' ' LYS . . . . . 0.406 ' HB2' ' CZ ' ' A' ' 841' ' ' TYR . 13.2 tttt -79.19 118.32 21.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 75.530000000000001 109.298 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -61.15 139.21 58.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 74.209999999999994 109.289 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 790' ' ' ARG . . . . . 0.422 ' C ' ' CD1' ' A' ' 791' ' ' TYR . 37.3 mmm-85 -118.31 -2.7 11.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 73.25 110.311 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 791' ' ' TYR . . . . . 0.422 ' CD1' ' C ' ' A' ' 790' ' ' ARG . 22.1 m-85 -143.97 129.38 18.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 74.510000000000005 110.985 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -65.09 96.68 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 61.299999999999997 109.324 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 793' ' ' PHE . . . . . 0.55 ' CE2' ' OE1' ' A' ' 800' ' ' GLU . 1.1 t80 -83.06 175.04 10.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 74.510000000000005 111.04 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 4.3 p -152.35 105.58 3.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 61.420000000000002 108.264 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -69.35 132.96 47.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 75.109999999999999 109.371 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.53 -18.27 14.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 73.230000000000004 110.343 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -144.99 174.19 11.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 64.310000000000002 109.287 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -72.26 -14.13 61.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 75.109999999999999 110.326 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 2.9 p -84.0 7.92 16.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 71.140000000000001 110.002 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 800' ' ' GLU . . . . . 0.55 ' OE1' ' CE2' ' A' ' 793' ' ' PHE . 29.2 tt0 -129.07 142.23 50.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 73.530000000000001 110.315 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 801' ' ' LEU . . . . . 0.438 ' CD1' ' C ' ' A' ' 823' ' ' GLY . 0.8 OUTLIER -91.03 139.23 30.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.085 . . . . 64.310000000000002 109.297 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 802' ' ' SER . . . . . 0.412 ' N ' HD21 ' A' ' 801' ' ' LEU . 0.9 OUTLIER -80.83 105.17 11.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 71.109999999999999 110.025 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 803' ' ' LEU . . . . . 0.468 HD22 ' CG1' ' A' ' 837' ' ' VAL . 0.4 OUTLIER -99.96 154.35 18.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 72.040000000000006 109.308 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 7.3 tptm -157.35 115.45 3.16 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 74.340000000000003 109.267 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 805' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 791' ' ' TYR . 4.5 mt-10 -39.29 142.31 0.27 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 74.310000000000002 110.318 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 79.26 13.82 82.36 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.519 1.137 . . . . 71.310000000000002 110.975 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -120.05 159.37 24.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 0.784 . . . . 75.099999999999994 109.321 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 808' ' ' ILE . . . . . 0.544 ' N ' ' CD1' ' A' ' 808' ' ' ILE . 0.0 OUTLIER -108.68 148.23 12.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 75.439999999999998 109.263 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 809' ' ' ILE . . . . . 0.571 HG23 ' CE1' ' A' ' 832' ' ' PHE . 1.9 mp -120.16 116.42 50.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 74.409999999999997 109.305 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 810' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -72.99 113.42 10.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 73.209999999999994 109.301 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 811' ' ' ILE . . . . . . . . . . . . . 5.6 mm -70.88 128.52 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 74.219999999999999 109.331 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 812' ' ' LEU . . . . . . . . . . . . . 2.8 mt -120.11 -48.59 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 74.439999999999998 109.295 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 813' ' ' ASN . . . . . 0.456 ' HB2' ' CZ ' ' A' ' 822' ' ' ARG . 9.0 t-20 -120.33 149.42 42.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 73.439999999999998 109.32 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 814' ' ' LYS . . . . . 0.55 ' HE3' ' CD1' ' A' ' 784' ' ' PHE . 1.3 mmmp? -136.71 77.21 1.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 75.120000000000005 109.281 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 5.1 mmmt -41.52 -76.02 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 74.239999999999995 109.295 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 816' ' ' GLY . . . . . . . . . . . . . . . -148.44 177.96 26.34 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.543 1.152 . . . . 74.120000000000005 111.028 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -81.63 129.48 34.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 0.759 . . . . 75.420000000000002 110.316 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 71.62 37.36 1.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 73.340000000000003 110.286 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . -123.32 -115.88 2.24 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.512 1.132 . . . . 71.140000000000001 110.964 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 820' ' ' TRP . . . . . 0.509 ' CZ3' ' CG ' ' A' ' 831' ' ' TRP . 1.1 p-90 -142.84 120.31 11.69 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.006 -1.109 . . . . 74.540000000000006 108.006 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 821' ' ' TRP . . . . . 0.54 ' CD1' ' HD2' ' A' ' 814' ' ' LYS . 21.6 m0 -91.61 158.93 16.15 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.958 -1.127 . . . . 72.230000000000004 107.958 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 822' ' ' ARG . . . . . 0.566 ' HG3' ' CD1' ' A' ' 831' ' ' TRP . 44.4 ttp180 -117.65 119.6 35.46 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 75.140000000000001 110.318 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 823' ' ' GLY . . . . . 0.438 ' C ' ' CD1' ' A' ' 801' ' ' LEU . . . -136.93 -161.24 8.92 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.529 1.143 . . . . 71.109999999999999 110.999 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 824' ' ' GLU . . . . . 0.487 ' CG ' ' N ' ' A' ' 825' ' ' ILE . 19.2 tt0 -152.4 158.61 42.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 0.769 . . . . 71.409999999999997 110.315 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 825' ' ' ILE . . . . . 0.566 HG23 ' CD2' ' A' ' 826' ' ' TYR . 2.0 mt -150.78 123.33 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 74.239999999999995 109.318 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 826' ' ' TYR . . . . . 0.566 ' CD2' HG23 ' A' ' 825' ' ' ILE . 6.7 m-85 60.12 26.79 16.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 73.409999999999997 110.956 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 827' ' ' GLY . . . . . 0.402 ' C ' ' OE2' ' A' ' 824' ' ' GLU . . . 89.9 -2.84 82.48 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.476 1.11 . . . . 71.319999999999993 110.995 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 34.1 mtt180 -87.06 111.97 21.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 0.749 . . . . 73.140000000000001 110.266 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 829' ' ' ILE . . . . . 0.467 ' CD1' ' HB2' ' A' ' 824' ' ' GLU . 3.2 mm -87.54 155.92 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 75.109999999999999 109.306 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 163.87 -170.67 39.25 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.472 1.108 . . . . 74.409999999999997 110.982 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 831' ' ' TRP . . . . . 0.566 ' CD1' ' HG3' ' A' ' 822' ' ' ARG . 14.0 m95 -123.7 -176.06 3.37 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.988 -1.116 . . . . 74.120000000000005 107.988 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 832' ' ' PHE . . . . . 0.571 ' CE1' HG23 ' A' ' 809' ' ' ILE . 34.9 p90 -178.36 160.93 1.18 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 62.240000000000002 110.99 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 833' ' ' PRO . . . . . 0.506 ' HG2' ' CG ' ' A' ' 836' ' ' TYR . 18.2 Cg_endo -75.03 148.59 35.37 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.475 1.776 . . . . 72.219999999999999 111.005 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 5.0 p -81.32 3.92 22.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 71.040000000000006 110.011 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -105.48 -0.04 26.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 74.010000000000005 109.267 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 836' ' ' TYR . . . . . 0.506 ' CG ' ' HG2' ' A' ' 833' ' ' PRO . 6.8 m-85 -116.34 8.46 14.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 72.430000000000007 111.011 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . 0.468 ' CG1' HD22 ' A' ' 803' ' ' LEU . 6.6 m -151.65 163.91 2.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 75.349999999999994 109.301 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 838' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -135.93 129.74 32.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 73.540000000000006 110.294 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 839' ' ' GLU . . . . . 0.402 ' C ' ' CD ' ' A' ' 839' ' ' GLU . 0.1 OUTLIER -120.16 169.02 10.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 63.549999999999997 110.253 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 16.8 t0 54.87 28.71 10.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 64.209999999999994 109.326 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 841' ' ' TYR . . . . . 0.466 ' CE1' ' OG ' ' A' ' 842' ' ' SER . 37.1 p90 -85.2 -32.77 22.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 74.439999999999998 111.013 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 842' ' ' SER . . . . . 0.466 ' OG ' ' CE1' ' A' ' 841' ' ' TYR . 83.0 p -156.3 154.99 31.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.147 . . . . 74.319999999999993 109.981 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -140.83 126.0 18.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 73.430000000000007 110.277 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 844' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -118.03 46.77 1.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 75.549999999999997 111.027 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 845' ' ' LEU . . . . . . . . . . . . . 27.9 mt -53.71 159.01 2.77 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 64.109999999999999 109.327 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 846' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 162.87 36.51 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.522 1.801 . . . . 75.239999999999995 110.995 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -74.74 -179.28 4.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 75.400000000000006 110.311 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 848' ' ' THR . . . . . . . . . . . . . 9.6 m . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 75.219999999999999 110.408 -179.959 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.014 -0.835 . . . . 71.409999999999997 111.014 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 781' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 158.06 42.38 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.431 1.753 . . . . 74.0 111.014 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 782' ' ' GLY . . . . . . . . . . . . . . . -89.87 -115.34 1.59 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.449 1.093 . . . . 74.430000000000007 111.021 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 783' ' ' THR . . . . . . . . . . . . . 4.3 m 71.0 35.14 1.71 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 0.756 . . . . 63.329999999999998 110.352 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 784' ' ' PHE . . . . . 0.546 ' CE1' ' HB2' ' A' ' 814' ' ' LYS . 23.2 m-85 -100.88 174.19 6.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 75.310000000000002 111.019 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . -145.12 -94.13 0.17 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.487 1.117 . . . . 74.109999999999999 111.0 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 2.4 p -154.78 172.83 17.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 0.767 . . . . 74.409999999999997 110.448 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 787' ' ' ALA . . . . . 0.43 ' CB ' HD13 ' A' ' 811' ' ' ILE . . . -146.28 104.52 3.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 63.200000000000003 109.315 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 788' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 838' ' ' GLU . 36.2 tttt -65.38 132.63 49.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 73.540000000000006 109.288 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . 0.407 ' HB2' ' CD1' ' A' ' 809' ' ' ILE . . . -77.34 127.36 32.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 72.129999999999995 109.281 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 790' ' ' ARG . . . . . 0.475 ' C ' ' CG ' ' A' ' 791' ' ' TYR . 17.7 mmm180 -99.56 -2.32 36.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 73.519999999999996 110.286 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 791' ' ' TYR . . . . . 0.475 ' CG ' ' C ' ' A' ' 790' ' ' ARG . 51.0 m-85 -159.17 128.73 5.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 75.109999999999999 111.008 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 19.2 p-10 -64.88 115.89 5.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 71.430000000000007 109.311 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 793' ' ' PHE . . . . . 0.463 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.1 t80 -104.85 125.4 50.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 75.430000000000007 110.981 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 5.0 t -92.72 103.48 15.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 70.109999999999999 108.275 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -61.25 105.59 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 74.430000000000007 109.292 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 4.5 ptm85 -56.56 -21.36 25.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 75.010000000000005 110.342 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -157.01 -178.92 7.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 70.239999999999995 109.312 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 7.5 tpt85 -72.3 -6.01 40.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 75.109999999999999 110.3 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 2.4 p -80.24 -11.63 59.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 75.239999999999995 109.962 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -117.72 150.41 39.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 74.439999999999998 110.318 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 801' ' ' LEU . . . . . 0.406 ' HB2' ' N ' ' A' ' 831' ' ' TRP . 0.8 OUTLIER -88.69 139.63 30.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 74.239999999999995 109.295 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 802' ' ' SER . . . . . 0.404 ' N ' HD22 ' A' ' 801' ' ' LEU . 1.3 t -81.73 108.29 15.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.158 . . . . 72.319999999999993 109.999 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 803' ' ' LEU . . . . . 0.463 ' HB2' ' CB ' ' A' ' 793' ' ' PHE . 0.8 OUTLIER -97.0 157.63 15.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 74.239999999999995 109.321 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 804' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 805' ' ' GLU . 8.1 tmtt? -156.87 110.86 2.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 74.409999999999997 109.284 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 805' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 804' ' ' LYS . 10.3 mt-10 -38.85 134.27 1.01 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 63.32 110.257 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 92.16 -9.33 76.56 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.477 1.111 . . . . 64.030000000000001 111.018 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -96.8 163.65 12.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 74.310000000000002 109.314 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 808' ' ' ILE . . . . . 0.465 ' N ' ' CD1' ' A' ' 808' ' ' ILE . 0.0 OUTLIER -116.09 135.67 55.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 74.310000000000002 109.221 -179.933 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 809' ' ' ILE . . . . . 0.626 ' CG2' ' CZ ' ' A' ' 832' ' ' PHE . 1.3 mp -102.23 113.81 39.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 72.400000000000006 109.256 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 810' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 811' ' ' ILE . 11.7 tptt -66.54 114.88 5.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 72.109999999999999 109.331 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 811' ' ' ILE . . . . . 0.43 HD13 ' CB ' ' A' ' 787' ' ' ALA . 3.8 mm -78.38 131.76 33.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 73.019999999999996 109.296 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 812' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.97 -43.98 2.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 74.549999999999997 109.296 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -133.12 145.49 50.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 73.129999999999995 109.299 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 814' ' ' LYS . . . . . 0.555 ' HA ' ' CD1' ' A' ' 821' ' ' TRP . 13.3 mtmt -134.86 90.23 2.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 74.25 109.326 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . 0.416 ' HA ' ' CE ' ' A' ' 815' ' ' LYS . 0.0 OUTLIER -40.52 -34.99 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 73.409999999999997 109.311 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 816' ' ' GLY . . . . . . . . . . . . . . . 102.84 -37.83 3.51 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 43.140000000000001 111.025 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 22.3 mp0 -69.1 -177.15 1.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.761 . . . . 75.340000000000003 110.263 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -94.28 31.05 1.78 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 74.450000000000003 110.273 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . -84.45 -96.86 0.65 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 61.229999999999997 111.033 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 820' ' ' TRP . . . . . 0.732 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.37 172.89 12.07 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.012 -1.107 . . . . 73.200000000000003 108.012 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 821' ' ' TRP . . . . . 0.562 ' CZ3' ' HB2' ' A' ' 834' ' ' SER . 12.0 m0 -130.3 140.58 50.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 72.430000000000007 108.016 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 822' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -89.12 127.33 35.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 73.409999999999997 110.29 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -151.56 -166.1 13.61 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.525 1.141 . . . . 75.239999999999995 111.004 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 824' ' ' GLU . . . . . 0.502 ' CG ' ' N ' ' A' ' 825' ' ' ILE . 19.9 tt0 -157.8 159.44 36.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 0.768 . . . . 73.349999999999994 110.276 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 825' ' ' ILE . . . . . 0.564 HG21 ' CD2' ' A' ' 826' ' ' TYR . 2.8 mt -151.88 133.8 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 74.150000000000006 109.272 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 826' ' ' TYR . . . . . 0.564 ' CD2' HG21 ' A' ' 825' ' ' ILE . 19.0 m-85 56.69 16.78 2.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 75.400000000000006 111.011 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 91.31 20.66 37.62 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.455 1.097 . . . . 52.5 110.968 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . 0.418 ' N ' ' HG3' ' A' ' 824' ' ' GLU . 6.1 mmt85 -113.2 116.8 30.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 0.793 . . . . 74.439999999999998 110.278 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 829' ' ' ILE . . . . . 0.465 ' CD1' ' HB2' ' A' ' 824' ' ' GLU . 2.6 mm -87.19 152.7 3.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 74.25 109.314 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 177.95 -163.93 32.48 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.467 1.104 . . . . 61.32 110.965 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 831' ' ' TRP . . . . . 0.732 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 64.1 m95 -129.67 165.9 20.88 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.014 -1.106 . . . . 73.150000000000006 108.014 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 832' ' ' PHE . . . . . 0.626 ' CZ ' ' CG2' ' A' ' 809' ' ' ILE . 29.8 p90 -174.1 154.14 2.12 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 73.239999999999995 110.966 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 147.57 33.95 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.494 1.786 . . . . 64.530000000000001 111.004 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 834' ' ' SER . . . . . 0.562 ' HB2' ' CZ3' ' A' ' 821' ' ' TRP . 23.4 p -82.2 3.56 26.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 63.350000000000001 110.023 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -100.38 -6.28 25.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 74.400000000000006 109.283 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -108.25 -6.23 16.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 75.010000000000005 111.03 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 16.1 m -122.74 176.54 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 64.120000000000005 109.362 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 838' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 788' ' ' LYS . 7.3 mt-10 -111.01 178.65 4.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 64.150000000000006 110.3 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 839' ' ' GLU . . . . . 0.436 ' C ' ' N ' ' A' ' 841' ' ' TYR . 19.5 mp0 -151.42 131.2 13.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 72.140000000000001 110.294 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 42.4 t0 40.98 29.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 73.150000000000006 109.292 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 841' ' ' TYR . . . . . 0.436 ' N ' ' C ' ' A' ' 839' ' ' GLU . 9.8 p90 -51.26 -37.6 48.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 71.209999999999994 111.057 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 842' ' ' SER . . . . . 0.424 ' N ' ' CD1' ' A' ' 841' ' ' TYR . 53.0 p -155.39 160.71 40.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 71.540000000000006 110.016 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -101.19 137.71 39.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 70.319999999999993 110.29 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 844' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -123.25 51.88 1.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 63.210000000000001 111.0 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 845' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -65.25 158.82 70.34 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 71.420000000000002 109.269 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 846' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 162.58 36.87 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.52 1.8 . . . . 62.310000000000002 111.013 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -68.87 -19.33 64.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.153 . . . . 72.150000000000006 110.324 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 848' ' ' THR . . . . . . . . . . . . . 21.7 m . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 75.430000000000007 110.351 -179.982 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.985 -0.846 . . . . 73.340000000000003 110.985 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 781' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 93.88 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.456 1.766 . . . . 73.219999999999999 110.963 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 782' ' ' GLY . . . . . . . . . . . . . . . 158.68 117.68 0.5 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.449 1.093 . . . . 72.340000000000003 111.016 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 783' ' ' THR . . . . . . . . . . . . . 43.8 m -73.08 -60.86 2.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 0.776 . . . . 74.340000000000003 110.442 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 784' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 814' ' ' LYS . 3.6 m-85 52.71 30.83 9.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 71.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . -74.92 -82.75 0.42 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.13 . . . . 73.099999999999994 111.001 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 3.1 p -155.38 170.31 22.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 0.792 . . . . 64.25 110.443 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 787' ' ' ALA . . . . . 0.403 ' CB ' HD12 ' A' ' 811' ' ' ILE . . . -145.51 105.0 3.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 61.409999999999997 109.328 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 788' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 838' ' ' GLU . 12.7 tttt -68.32 122.76 19.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 73.209999999999994 109.29 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . 0.453 ' HB2' ' CD1' ' A' ' 809' ' ' ILE . . . -71.82 138.3 48.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 74.349999999999994 109.306 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 790' ' ' ARG . . . . . 0.415 ' C ' ' CG ' ' A' ' 791' ' ' TYR . 6.3 mmp_? -107.59 -2.84 19.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.087 . . . . 74.319999999999993 110.31 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 791' ' ' TYR . . . . . 0.423 ' CA ' ' HG3' ' A' ' 805' ' ' GLU . 67.9 m-85 -156.66 128.44 7.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 75.150000000000006 111.022 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -64.28 123.19 18.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 74.409999999999997 109.272 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 793' ' ' PHE . . . . . 0.464 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.1 t80 -111.05 113.27 25.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.15 . . . . 74.519999999999996 111.017 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 14.6 t -81.97 107.22 14.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 64.310000000000002 108.278 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -68.83 138.67 54.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 62.340000000000003 109.319 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.52 -12.08 12.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 74.340000000000003 110.296 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -140.17 155.37 46.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 74.540000000000006 109.294 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 798' ' ' ARG . . . . . 0.417 ' HD3' ' N ' ' A' ' 798' ' ' ARG . 0.0 OUTLIER -63.57 -12.45 32.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 74.349999999999994 110.273 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 88.5 p -86.77 7.87 25.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 71.310000000000002 110.021 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -122.87 151.91 41.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 74.549999999999997 110.277 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 801' ' ' LEU . . . . . 0.415 HD23 ' N ' ' A' ' 802' ' ' SER . 0.9 OUTLIER -101.9 138.39 38.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 74.140000000000001 109.35 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 802' ' ' SER . . . . . 0.415 ' N ' HD23 ' A' ' 801' ' ' LEU . 1.0 OUTLIER -80.47 106.44 12.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 72.510000000000005 109.98 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 803' ' ' LEU . . . . . 0.464 ' HB2' ' CB ' ' A' ' 793' ' ' PHE . 0.9 OUTLIER -95.37 156.73 16.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 75.230000000000004 109.325 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -155.12 111.56 3.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 73.140000000000001 109.309 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 805' ' ' GLU . . . . . 0.423 ' HG3' ' CA ' ' A' ' 791' ' ' TYR . 5.6 mt-10 -38.91 136.53 0.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 71.329999999999998 110.321 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 85.86 5.31 83.94 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.462 1.101 . . . . 54.43 111.022 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -108.53 165.24 11.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.765 . . . . 74.109999999999999 109.296 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 808' ' ' ILE . . . . . 0.484 ' N ' ' CD1' ' A' ' 808' ' ' ILE . 0.0 OUTLIER -116.29 138.2 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 73.209999999999994 109.322 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 809' ' ' ILE . . . . . 0.666 ' CG2' ' CZ ' ' A' ' 832' ' ' PHE . 1.4 mp -107.77 114.77 47.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 75.239999999999995 109.309 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 810' ' ' LYS . . . . . 0.408 ' NZ ' ' O ' ' A' ' 784' ' ' PHE . 22.1 tptt -68.9 113.41 6.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 74.530000000000001 109.266 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 811' ' ' ILE . . . . . 0.406 ' N ' ' HD2' ' A' ' 810' ' ' LYS . 3.0 mm -72.89 121.69 24.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 72.239999999999995 109.321 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 812' ' ' LEU . . . . . 0.404 ' CD1' ' HA2' ' A' ' 823' ' ' GLY . 1.4 mt -112.74 -48.98 2.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 73.310000000000002 109.299 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -121.82 152.03 39.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 75.200000000000003 109.336 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 814' ' ' LYS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 784' ' ' PHE . 8.7 mtmt -136.99 81.18 1.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 73.319999999999993 109.292 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 18.6 mmmt -40.32 -30.01 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 74.239999999999995 109.304 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 816' ' ' GLY . . . . . 0.448 ' N ' ' C ' ' A' ' 814' ' ' LYS . . . 99.59 -66.98 0.6 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.466 1.104 . . . . 70.409999999999997 111.007 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -46.6 172.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 0.743 . . . . 72.519999999999996 110.303 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -86.94 44.79 1.2 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 75.400000000000006 110.32 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . -96.71 -92.42 1.84 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.462 1.101 . . . . 74.25 111.03 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 820' ' ' TRP . . . . . 0.693 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.38 172.7 12.33 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.01 -1.108 . . . . 75.129999999999995 108.01 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 821' ' ' TRP . . . . . 0.553 ' CZ3' ' OG ' ' A' ' 834' ' ' SER . 11.1 m0 -133.03 139.18 47.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 75.420000000000002 107.984 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 822' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -81.78 141.71 33.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 74.349999999999994 110.278 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 823' ' ' GLY . . . . . 0.404 ' HA2' ' CD1' ' A' ' 812' ' ' LEU . . . -166.2 -164.24 21.35 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.472 1.107 . . . . 71.409999999999997 111.021 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 824' ' ' GLU . . . . . 0.496 ' CG ' ' N ' ' A' ' 825' ' ' ILE . 19.6 tt0 -161.23 159.12 28.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 0.748 . . . . 75.109999999999999 110.34 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 825' ' ' ILE . . . . . 0.568 HG22 ' CD2' ' A' ' 826' ' ' TYR . 2.9 mt -151.94 135.21 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 74.430000000000007 109.319 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 826' ' ' TYR . . . . . 0.568 ' CD2' HG22 ' A' ' 825' ' ' ILE . 22.1 m-85 56.07 16.93 2.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 73.239999999999995 110.994 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 90.52 22.04 35.52 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.49 1.119 . . . . 62.299999999999997 111.018 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . 0.416 ' N ' ' HG3' ' A' ' 824' ' ' GLU . 13.1 mmt-85 -114.94 117.78 31.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 0.773 . . . . 72.430000000000007 110.332 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 829' ' ' ILE . . . . . 0.477 ' CD1' ' HB2' ' A' ' 824' ' ' GLU . 2.9 mm -87.25 152.4 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 74.340000000000003 109.281 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 177.16 -164.53 33.92 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 65.510000000000005 110.992 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 831' ' ' TRP . . . . . 0.693 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 56.4 m95 -129.21 157.2 42.51 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.001 -1.111 . . . . 74.409999999999997 108.001 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 832' ' ' PHE . . . . . 0.666 ' CZ ' ' CG2' ' A' ' 809' ' ' ILE . 31.8 p90 -161.81 153.25 15.59 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 74.099999999999994 111.007 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 147.95 34.65 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.522 1.801 . . . . 74.0 111.026 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 834' ' ' SER . . . . . 0.553 ' OG ' ' CZ3' ' A' ' 821' ' ' TRP . 30.3 t -85.16 3.44 39.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 75.400000000000006 109.989 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -96.97 -7.88 31.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 74.519999999999996 109.321 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -111.87 -9.6 14.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 72.549999999999997 110.978 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 15.6 m -122.18 161.68 22.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 74.109999999999999 109.283 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 838' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 788' ' ' LYS . 47.3 mm-40 -134.0 123.66 24.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.093 . . . . 75.040000000000006 110.303 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 839' ' ' GLU . . . . . 0.485 ' OE2' ' CH2' ' A' ' 821' ' ' TRP . 1.3 pt-20 -113.55 -179.6 3.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 73.120000000000005 110.271 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 58.6 t0 41.19 51.59 3.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 51.350000000000001 109.307 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 841' ' ' TYR . . . . . 0.499 ' CD1' ' N ' ' A' ' 842' ' ' SER . 19.9 p90 -106.13 -34.41 7.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 74.239999999999995 110.989 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 842' ' ' SER . . . . . 0.499 ' N ' ' CD1' ' A' ' 841' ' ' TYR . 26.1 p -154.22 137.8 16.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 75.129999999999995 110.008 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -106.49 -177.88 3.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 72.230000000000004 110.306 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 844' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -104.32 46.56 0.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 74.409999999999997 111.036 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 845' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -41.66 155.91 0.22 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 73.049999999999997 109.343 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 846' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 137.17 21.3 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.492 1.785 . . . . 74.340000000000003 111.012 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 33.6 mp0 -78.19 170.92 15.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 73.040000000000006 110.293 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 848' ' ' THR . . . . . . . . . . . . . 38.0 p . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 73.420000000000002 110.401 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.003 -0.839 . . . . 72.319999999999993 111.003 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 781' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 150.84 38.83 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.532 1.806 . . . . 72.200000000000003 111.001 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 782' ' ' GLY . . . . . . . . . . . . . . . -149.52 -177.74 23.88 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.518 1.136 . . . . 72.409999999999997 110.988 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 783' ' ' THR . . . . . . . . . . . . . 6.3 m -122.23 -68.63 0.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.76 . . . . 75.030000000000001 110.445 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 784' ' ' PHE . . . . . 0.444 ' CE1' ' HE3' ' A' ' 814' ' ' LYS . 31.4 m-85 -77.5 170.09 17.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 64.439999999999998 111.026 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . -128.42 -114.92 1.82 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.545 1.153 . . . . 74.099999999999994 110.954 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 2.9 p -133.56 172.59 12.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 0.758 . . . . 74.540000000000006 110.38 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -134.7 106.53 6.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 70.349999999999994 109.28 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 788' ' ' LYS . . . . . 0.559 ' HB2' ' CE2' ' A' ' 841' ' ' TYR . 8.4 tttt -68.49 121.88 17.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 70.409999999999997 109.3 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -72.06 128.41 35.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 74.310000000000002 109.301 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 790' ' ' ARG . . . . . 0.482 ' HB2' ' CE2' ' A' ' 791' ' ' TYR . 16.0 mmm180 -97.8 -4.77 36.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 75.25 110.268 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 791' ' ' TYR . . . . . 0.482 ' CE2' ' HB2' ' A' ' 790' ' ' ARG . 26.3 m-85 -154.62 129.01 9.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 74.420000000000002 110.994 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -64.01 123.22 18.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 74.530000000000001 109.303 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 793' ' ' PHE . . . . . 0.466 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.1 t80 -111.34 114.06 26.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 75.219999999999999 110.97 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 33.8 m -80.08 125.2 29.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 74.400000000000006 108.31 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -86.63 140.1 30.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 74.040000000000006 109.331 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.91 -9.91 11.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 75.239999999999995 110.333 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -154.8 166.22 34.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 75.439999999999998 109.32 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 1.3 ptp85 -65.4 -13.2 58.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 73.409999999999997 110.318 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 93.4 p -83.83 7.78 16.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 71.340000000000003 109.999 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -128.06 152.91 47.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 75.5 110.312 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 801' ' ' LEU . . . . . 0.417 HD22 ' N ' ' A' ' 802' ' ' SER . 1.0 OUTLIER -107.39 135.11 49.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 51.140000000000001 109.308 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 802' ' ' SER . . . . . 0.417 ' N ' HD22 ' A' ' 801' ' ' LEU . 0.9 OUTLIER -79.03 105.68 10.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 72.120000000000005 109.99 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 803' ' ' LEU . . . . . 0.466 ' HB2' ' CB ' ' A' ' 793' ' ' PHE . 1.7 mp -97.51 161.83 13.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 75.140000000000001 109.295 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -158.09 110.7 2.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 73.150000000000006 109.309 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -38.79 133.82 1.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 74.129999999999995 110.31 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 90.59 -2.36 80.29 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.534 1.146 . . . . 74.530000000000001 110.997 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 807' ' ' ASP . . . . . 0.4 ' OD2' ' OH ' ' A' ' 826' ' ' TYR . 7.4 m-20 -100.24 165.61 11.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 0.763 . . . . 72.430000000000007 109.281 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 808' ' ' ILE . . . . . 0.484 ' O ' ' CD1' ' A' ' 825' ' ' ILE . 0.0 OUTLIER -117.23 141.27 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 72.140000000000001 109.287 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 809' ' ' ILE . . . . . 0.636 ' CG2' ' CZ ' ' A' ' 832' ' ' PHE . 1.7 mp -106.34 114.59 45.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 75.109999999999999 109.291 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 810' ' ' LYS . . . . . 0.418 ' HD2' ' N ' ' A' ' 811' ' ' ILE . 15.2 tptt -75.01 115.12 14.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 63.130000000000003 109.275 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 811' ' ' ILE . . . . . 0.471 ' CG2' ' HB2' ' A' ' 814' ' ' LYS . 2.8 mm -72.33 139.04 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 73.129999999999995 109.278 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 812' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -132.53 -55.53 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 74.120000000000005 109.274 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 813' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' A' ' 815' ' ' LYS . 10.0 t-20 -83.64 -76.52 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 74.120000000000005 109.326 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 814' ' ' LYS . . . . . 0.571 ' HA ' ' CD1' ' A' ' 821' ' ' TRP . 6.2 tmtt? 69.11 65.85 0.28 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 73.120000000000005 109.283 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . 0.515 ' NZ ' ' CD1' ' A' ' 820' ' ' TRP . 18.1 mtmm -51.61 -22.35 3.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 75.310000000000002 109.262 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 816' ' ' GLY . . . . . . . . . . . . . . . 87.94 -51.25 4.03 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.444 1.09 . . . . 73.340000000000003 111.029 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -43.4 154.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 0.783 . . . . 75.129999999999995 110.319 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -76.41 56.53 1.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 74.439999999999998 110.303 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . -119.36 -92.53 1.42 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 73.25 110.988 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 820' ' ' TRP . . . . . 0.736 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.4 172.75 12.26 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.96 -1.126 . . . . 74.230000000000004 107.96 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 821' ' ' TRP . . . . . 0.596 ' O ' ' CD1' ' A' ' 832' ' ' PHE . 14.0 m0 -126.72 138.94 53.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 75.340000000000003 107.975 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 822' ' ' ARG . . . . . 0.519 ' HG3' ' CE2' ' A' ' 831' ' ' TRP . 5.5 ttt180 -98.06 93.63 6.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 72.530000000000001 110.339 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -116.33 -156.86 10.88 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.55 1.156 . . . . 51.240000000000002 111.013 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 824' ' ' GLU . . . . . 0.465 ' OE1' ' CA ' ' A' ' 825' ' ' ILE . 0.5 OUTLIER -160.14 150.78 18.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 0.781 . . . . 74.019999999999996 110.293 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 825' ' ' ILE . . . . . 0.484 ' CD1' ' O ' ' A' ' 808' ' ' ILE . 3.3 mt -140.0 128.79 26.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 75.150000000000006 109.312 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 826' ' ' TYR . . . . . 0.501 ' CD1' ' N ' ' A' ' 826' ' ' TYR . 4.8 m-30 58.63 23.0 10.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 74.040000000000006 110.963 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 87.76 12.93 65.72 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.475 1.109 . . . . 61.310000000000002 110.979 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 65.0 mtm180 -104.41 117.04 33.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 0.756 . . . . 75.409999999999997 110.305 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 829' ' ' ILE . . . . . 0.462 ' CD1' ' HB2' ' A' ' 824' ' ' GLU . 2.5 mm -87.32 157.34 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 72.129999999999995 109.283 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 830' ' ' GLY . . . . . 0.406 ' CA ' ' HG ' ' A' ' 801' ' ' LEU . . . 169.33 -177.24 43.06 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.468 1.105 . . . . 70.200000000000003 110.96 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 831' ' ' TRP . . . . . 0.736 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 75.5 m95 -114.52 146.74 40.35 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.962 -1.125 . . . . 71.329999999999998 107.962 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 832' ' ' PHE . . . . . 0.636 ' CZ ' ' CG2' ' A' ' 809' ' ' ILE . 32.5 p90 -152.19 151.29 27.35 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 74.239999999999995 111.0 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 147.48 34.07 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.51 1.795 . . . . 72.019999999999996 110.977 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 23.3 p -87.17 -5.26 59.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 64.430000000000007 110.029 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -94.31 1.76 55.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 71.219999999999999 109.299 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -118.8 -8.0 10.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 74.530000000000001 111.028 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 31.0 m -117.68 174.89 3.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 74.439999999999998 109.303 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 838' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 788' ' ' LYS . 14.1 mt-10 -109.76 178.11 4.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 75.430000000000007 110.314 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 839' ' ' GLU . . . . . 0.437 ' C ' ' N ' ' A' ' 841' ' ' TYR . 6.9 mp0 -151.55 128.34 10.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 74.140000000000001 110.311 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 34.3 t70 42.18 28.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 72.439999999999998 109.334 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 841' ' ' TYR . . . . . 0.559 ' CE2' ' HB2' ' A' ' 788' ' ' LYS . 4.1 p90 -44.78 -37.26 3.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.112 . . . . 74.430000000000007 111.024 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 842' ' ' SER . . . . . . . . . . . . . 53.0 p -150.79 152.32 33.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 75.239999999999995 110.002 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -97.03 117.63 31.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 75.310000000000002 110.278 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 844' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -89.18 37.1 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 73.140000000000001 111.015 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 845' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.16 163.39 0.35 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 65.5 109.334 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 846' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 146.62 32.94 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.497 1.788 . . . . 74.299999999999997 110.994 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -65.19 159.66 23.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 73.120000000000005 110.309 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 848' ' ' THR . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 74.430000000000007 110.386 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.023 -0.831 . . . . 71.239999999999995 111.023 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 781' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -178.26 4.04 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.462 1.769 . . . . 71.040000000000006 111.023 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 782' ' ' GLY . . . . . . . . . . . . . . . -143.73 124.39 2.26 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.497 1.123 . . . . 74.340000000000003 111.025 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 783' ' ' THR . . . . . . . . . . . . . 7.4 m -51.0 127.25 18.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 0.727 . . . . 75.530000000000001 110.389 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 784' ' ' PHE . . . . . 0.48 ' CD2' ' HE3' ' A' ' 814' ' ' LYS . 11.9 m-85 -73.35 166.14 23.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 74.030000000000001 111.001 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . -150.96 -62.15 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.465 1.103 . . . . 71.439999999999998 110.984 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 2.3 p -150.44 167.59 26.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 0.756 . . . . 72.099999999999994 110.379 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 787' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 809' ' ' ILE . . . -136.34 118.71 15.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 64.239999999999995 109.309 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 788' ' ' LYS . . . . . . . . . . . . . 10.6 tttt -78.39 119.98 22.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 73.510000000000005 109.305 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . 0.409 ' HB2' ' CD1' ' A' ' 809' ' ' ILE . . . -65.27 136.69 56.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 74.239999999999995 109.285 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 790' ' ' ARG . . . . . 0.596 ' C ' ' CD1' ' A' ' 791' ' ' TYR . 40.3 mmm-85 -117.28 7.35 12.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.085 . . . . 75.420000000000002 110.336 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 791' ' ' TYR . . . . . 0.596 ' CD1' ' C ' ' A' ' 790' ' ' ARG . 31.8 m-85 -151.61 138.17 18.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 70.409999999999997 111.002 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -73.92 117.17 15.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 73.25 109.324 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 793' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -126.55 113.7 17.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 75.230000000000004 110.963 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 81.2 m -84.37 143.05 29.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 73.340000000000003 108.308 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -99.37 101.86 13.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 74.430000000000007 109.306 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 8.6 mmt85 -50.7 -27.77 7.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 74.439999999999998 110.304 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -157.07 -176.75 6.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 74.420000000000002 109.341 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -69.2 -7.42 36.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 73.120000000000005 110.272 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 3.3 p -74.25 -18.56 60.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.457 1.098 . . . . 74.319999999999993 110.007 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -115.17 149.77 37.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 70.420000000000002 110.278 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 801' ' ' LEU . . . . . 0.415 HD13 ' CD1' ' A' ' 832' ' ' PHE . 1.0 OUTLIER -84.37 132.94 34.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 75.0 109.321 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.16 99.85 1.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 74.030000000000001 110.003 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 803' ' ' LEU . . . . . . . . . . . . . 2.0 tp -96.12 146.62 24.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 65.409999999999997 109.286 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.51 109.88 2.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 74.540000000000006 109.3 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 805' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 791' ' ' TYR . 3.2 mt-10 -39.63 145.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 74.439999999999998 110.26 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 81.41 17.66 70.74 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.515 1.134 . . . . 75.209999999999994 111.012 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -129.73 164.95 22.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.777 . . . . 54.439999999999998 109.329 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 808' ' ' ILE . . . . . 0.544 ' N ' ' CD1' ' A' ' 808' ' ' ILE . 0.0 OUTLIER -108.7 152.82 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 75.200000000000003 109.318 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 809' ' ' ILE . . . . . 0.609 ' CG2' ' CZ ' ' A' ' 832' ' ' PHE . 1.3 mp -118.38 115.24 47.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 74.129999999999995 109.275 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 810' ' ' LYS . . . . . . . . . . . . . 25.4 tptt -75.1 112.92 11.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 74.209999999999994 109.343 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 811' ' ' ILE . . . . . . . . . . . . . 2.9 mm -71.99 119.21 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 71.430000000000007 109.282 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 812' ' ' LEU . . . . . . . . . . . . . 1.2 mt -111.95 -51.58 2.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 74.150000000000006 109.323 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 813' ' ' ASN . . . . . 0.471 ' CB ' ' HB3' ' A' ' 822' ' ' ARG . 0.4 OUTLIER -121.36 141.11 51.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 73.439999999999998 109.256 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 814' ' ' LYS . . . . . 0.523 ' HG3' ' CD1' ' A' ' 821' ' ' TRP . 0.0 OUTLIER -123.09 76.99 1.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 73.239999999999995 109.32 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . 0.453 ' HA ' ' CE ' ' A' ' 815' ' ' LYS . 0.0 OUTLIER -58.82 -75.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 74.319999999999993 109.297 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 816' ' ' GLY . . . . . 0.449 ' O ' ' NE1' ' A' ' 821' ' ' TRP . . . -118.76 154.19 16.61 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.503 1.127 . . . . 72.519999999999996 111.034 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -84.48 -17.68 38.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 0.744 . . . . 73.209999999999994 110.316 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -114.38 -14.77 12.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 73.519999999999996 110.271 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . -81.79 -104.36 0.39 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.458 1.099 . . . . 64.400000000000006 110.996 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 820' ' ' TRP . . . . . 0.711 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.42 172.32 12.86 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.027 -1.101 . . . . 73.129999999999995 108.027 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 821' ' ' TRP . . . . . 0.595 ' O ' ' CE1' ' A' ' 832' ' ' PHE . 17.8 m0 -132.35 136.34 46.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 73.430000000000007 107.983 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 822' ' ' ARG . . . . . 0.471 ' HB3' ' CB ' ' A' ' 813' ' ' ASN . 8.6 ttp180 -84.5 118.88 24.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 70.430000000000007 110.307 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -140.43 -159.4 7.93 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.571 1.17 . . . . 71.400000000000006 111.027 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 824' ' ' GLU . . . . . 0.489 ' CG ' ' N ' ' A' ' 825' ' ' ILE . 20.7 tt0 -158.36 159.43 35.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.77 . . . . 72.230000000000004 110.319 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 825' ' ' ILE . . . . . 0.489 ' N ' ' CG ' ' A' ' 824' ' ' GLU . 2.3 mt -152.18 130.55 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 73.420000000000002 109.308 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 55.4 26.84 9.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 74.409999999999997 110.98 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 83.27 18.58 64.3 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.468 1.105 . . . . 74.5 110.99 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 59.9 mtt180 -109.33 113.18 25.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 0.761 . . . . 73.400000000000006 110.304 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 829' ' ' ILE . . . . . 0.466 ' CD1' ' HB2' ' A' ' 824' ' ' GLU . 2.6 mm -87.38 158.53 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 73.439999999999998 109.315 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 164.79 -160.61 33.84 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.501 1.125 . . . . 74.010000000000005 110.964 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 831' ' ' TRP . . . . . 0.711 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 49.5 m95 -127.63 144.83 51.04 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.999 -1.111 . . . . 74.510000000000005 107.999 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 832' ' ' PHE . . . . . 0.609 ' CZ ' ' CG2' ' A' ' 809' ' ' ILE . 38.1 p90 -144.0 148.47 42.12 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 75.310000000000002 111.015 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 833' ' ' PRO . . . . . 0.512 ' HG2' ' CD1' ' A' ' 836' ' ' TYR . 18.4 Cg_endo -75.0 147.66 34.21 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.532 1.806 . . . . 74.109999999999999 110.995 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 834' ' ' SER . . . . . 0.558 ' HB2' ' CZ3' ' A' ' 821' ' ' TRP . 79.1 p -82.83 3.82 27.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 71.140000000000001 110.007 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -95.38 -15.1 23.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 73.340000000000003 109.328 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 836' ' ' TYR . . . . . 0.512 ' CD1' ' HG2' ' A' ' 833' ' ' PRO . 7.9 m-85 -114.36 30.42 7.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 75.209999999999994 110.991 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . 0.451 ' CG1' ' O ' ' A' ' 836' ' ' TYR . 26.8 m -155.2 161.45 2.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 74.239999999999995 109.309 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 838' ' ' GLU . . . . . 0.464 ' HG3' ' CG ' ' A' ' 790' ' ' ARG . 12.6 mt-10 -100.83 179.37 4.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 74.200000000000003 110.319 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 839' ' ' GLU . . . . . 0.434 ' C ' ' N ' ' A' ' 841' ' ' TYR . 19.2 mp0 -154.79 129.89 9.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 74.200000000000003 110.303 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 33.5 t70 41.64 29.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 74.319999999999993 109.319 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 841' ' ' TYR . . . . . 0.434 ' N ' ' C ' ' A' ' 839' ' ' GLU . 8.2 p90 -49.86 -33.59 17.49 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.453 1.096 . . . . 72.530000000000001 110.961 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 842' ' ' SER . . . . . . . . . . . . . 4.6 p -153.79 119.35 5.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 74.239999999999995 109.988 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -93.08 150.21 20.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 73.219999999999999 110.278 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 844' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 66.64 51.0 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 74.319999999999993 110.995 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 845' ' ' LEU . . . . . . . . . . . . . 17.7 mt -49.4 161.03 0.5 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 74.200000000000003 109.291 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 846' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 141.05 26.13 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.491 1.785 . . . . 71.5 110.983 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -75.36 -16.65 60.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 71.450000000000003 110.264 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 848' ' ' THR . . . . . . . . . . . . . 23.9 m . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 74.219999999999999 110.375 179.994 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 N-CA-C 111.049 -0.82 . . . . 72.530000000000001 111.049 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 781' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -7.34 19.1 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.477 1.777 . . . . 74.129999999999995 111.003 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 782' ' ' GLY . . . . . . . . . . . . . . . -105.36 32.29 7.62 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.544 1.152 . . . . 64.239999999999995 111.026 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 783' ' ' THR . . . . . . . . . . . . . 23.3 m -38.99 130.31 1.51 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.441 0.73 . . . . 71.340000000000003 110.422 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 784' ' ' PHE . . . . . 0.553 ' CE2' ' HD2' ' A' ' 814' ' ' LYS . 20.3 m-85 -67.11 -65.54 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 75.120000000000005 110.959 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . 165.01 -102.2 0.19 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 70.430000000000007 111.011 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 2.5 p -154.46 174.08 15.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 0.762 . . . . 71.010000000000005 110.373 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -144.49 105.32 4.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 64.25 109.289 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 788' ' ' LYS . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 841' ' ' TYR . 12.4 tttt -69.36 117.01 10.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 72.219999999999999 109.337 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -63.5 133.38 53.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 64.420000000000002 109.327 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 790' ' ' ARG . . . . . 0.548 ' C ' ' CD1' ' A' ' 791' ' ' TYR . 32.0 mmm-85 -107.04 -1.43 22.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 75.329999999999998 110.314 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 791' ' ' TYR . . . . . 0.548 ' CD1' ' C ' ' A' ' 790' ' ' ARG . 62.2 m-85 -159.53 128.46 5.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 72.129999999999995 110.993 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -61.97 116.17 4.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 64.349999999999994 109.269 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 793' ' ' PHE . . . . . 0.425 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.2 t80 -107.84 114.08 27.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 73.439999999999998 110.975 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 41.4 t -81.38 108.68 15.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 74.299999999999997 108.296 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -69.94 104.13 2.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 60.039999999999999 109.296 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 11.1 ptt180 -56.51 -19.91 17.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 74.549999999999997 110.264 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -163.41 171.94 15.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 63.229999999999997 109.241 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -15.97 16.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 73.420000000000002 110.312 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 1.7 p -70.38 -7.58 44.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 73.510000000000005 110.024 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -125.49 150.02 47.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 73.450000000000003 110.312 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 801' ' ' LEU . . . . . 0.414 HD21 ' N ' ' A' ' 802' ' ' SER . 0.9 OUTLIER -88.52 138.06 31.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 72.239999999999995 109.331 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 802' ' ' SER . . . . . 0.414 ' N ' HD21 ' A' ' 801' ' ' LEU . 3.7 p -81.46 101.35 9.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 73.200000000000003 109.997 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 803' ' ' LEU . . . . . 0.425 ' HB2' ' CB ' ' A' ' 793' ' ' PHE . 0.5 OUTLIER -92.92 157.17 16.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 74.209999999999994 109.328 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 804' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 805' ' ' GLU . 7.7 tmtm? -156.63 111.24 2.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.472 1.108 . . . . 75.200000000000003 109.356 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 805' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 804' ' ' LYS . 7.6 mt-10 -38.86 133.42 1.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 74.310000000000002 110.292 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 90.43 -3.14 81.69 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.493 1.121 . . . . 62.049999999999997 110.964 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -104.45 159.74 15.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.777 . . . . 75.040000000000006 109.309 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 808' ' ' ILE . . . . . 0.506 ' N ' ' CD1' ' A' ' 808' ' ' ILE . 0.0 OUTLIER -110.64 139.99 31.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 64.400000000000006 109.32 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 809' ' ' ILE . . . . . 0.566 HG23 ' CZ ' ' A' ' 832' ' ' PHE . 1.5 mp -105.61 113.83 43.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 72.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 810' ' ' LYS . . . . . 0.406 ' HD2' ' N ' ' A' ' 811' ' ' ILE . 15.8 tptp -68.36 114.38 6.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 62.149999999999999 109.34 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 811' ' ' ILE . . . . . 0.406 ' N ' ' HD2' ' A' ' 810' ' ' LYS . 3.5 mm -75.94 137.97 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 72.329999999999998 109.278 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 812' ' ' LEU . . . . . . . . . . . . . 2.1 mt -128.68 -48.0 1.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 62.219999999999999 109.295 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -134.36 141.1 46.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 64.230000000000004 109.32 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 814' ' ' LYS . . . . . 0.553 ' HD2' ' CE2' ' A' ' 784' ' ' PHE . 38.2 mttt -122.34 89.18 3.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 73.019999999999996 109.303 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt -40.82 -31.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 75.409999999999997 109.314 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 816' ' ' GLY . . . . . 0.404 ' N ' ' C ' ' A' ' 814' ' ' LYS . . . 164.87 -160.59 33.85 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.516 1.135 . . . . 75.519999999999996 110.948 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -99.82 6.35 45.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 0.774 . . . . 71.510000000000005 110.268 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 42.3 mm-40 -144.6 109.53 5.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 72.340000000000003 110.292 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . 142.96 -109.61 0.57 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.471 1.107 . . . . 64.120000000000005 110.979 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 820' ' ' TRP . . . . . 0.729 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.35 172.69 12.35 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.999 -1.111 . . . . 74.439999999999998 107.999 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 821' ' ' TRP . . . . . 0.58 ' CH2' ' OG ' ' A' ' 834' ' ' SER . 20.9 m0 -126.34 138.19 53.55 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.986 -1.116 . . . . 71.209999999999994 107.986 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 822' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -95.77 105.43 17.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 75.340000000000003 110.263 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -126.31 -154.53 8.67 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 73.219999999999999 110.96 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 824' ' ' GLU . . . . . 0.489 ' CG ' ' N ' ' A' ' 825' ' ' ILE . 19.9 tt0 -164.14 159.1 19.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 0.75 . . . . 74.140000000000001 110.32 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 825' ' ' ILE . . . . . 0.489 ' N ' ' CG ' ' A' ' 824' ' ' GLU . 3.2 mt -151.19 129.87 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 74.540000000000006 109.298 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 9.0 m-30 57.85 21.86 8.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 73.519999999999996 110.973 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 88.13 15.69 60.42 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.467 1.104 . . . . 73.299999999999997 111.019 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 34.2 mtt85 -107.28 115.35 30.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.756 . . . . 73.120000000000005 110.269 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 829' ' ' ILE . . . . . 0.468 ' CD1' ' HB2' ' A' ' 824' ' ' GLU . 2.7 mm -87.34 156.2 3.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 64.310000000000002 109.294 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 174.0 -169.89 42.96 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 61.049999999999997 110.967 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 831' ' ' TRP . . . . . 0.729 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 60.7 m95 -127.2 145.78 50.64 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.018 -1.104 . . . . 75.150000000000006 108.018 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 832' ' ' PHE . . . . . 0.566 ' CZ ' HG23 ' A' ' 809' ' ' ILE . 31.0 p90 -150.44 151.18 30.58 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 74.430000000000007 110.993 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 147.59 33.92 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.506 1.793 . . . . 74.120000000000005 110.972 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 834' ' ' SER . . . . . 0.58 ' OG ' ' CH2' ' A' ' 821' ' ' TRP . 3.1 t -84.23 3.89 33.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 73.439999999999998 110.028 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -95.57 -12.46 25.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 72.109999999999999 109.319 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -110.24 -5.25 15.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 74.319999999999993 110.988 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . 0.488 HG11 ' CD2' ' A' ' 832' ' ' PHE . 21.0 m -121.88 179.3 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 72.420000000000002 109.291 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 838' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 788' ' ' LYS . 78.1 mt-10 -151.45 126.12 9.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 75.420000000000002 110.34 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 839' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 840' ' ' ASP . 0.0 OUTLIER -117.37 175.23 5.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 74.420000000000002 110.278 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 840' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 839' ' ' GLU . 46.7 t0 40.48 36.21 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 74.319999999999993 109.307 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 841' ' ' TYR . . . . . 0.518 ' CZ ' ' HB2' ' A' ' 788' ' ' LYS . 38.9 p90 -89.56 143.71 26.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 73.530000000000001 111.004 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 842' ' ' SER . . . . . . . . . . . . . 43.3 p -60.76 128.32 35.96 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.142 . . . . 73.420000000000002 109.965 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -91.18 167.55 12.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.403 1.064 . . . . 75.120000000000005 110.279 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 844' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -133.29 58.63 1.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 74.310000000000002 110.977 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 845' ' ' LEU . . . . . . . . . . . . . 21.1 mt -63.53 157.0 68.3 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 74.329999999999998 109.321 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 846' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 160.73 39.77 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.46 1.768 . . . . 74.420000000000002 111.027 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -81.56 148.27 29.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 71.140000000000001 110.304 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 848' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 72.219999999999999 110.399 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 N-CA-C 111.001 -0.84 . . . . 64.010000000000005 111.001 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 781' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -85.75 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.527 1.804 . . . . 73.010000000000005 110.975 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 782' ' ' GLY . . . . . . . . . . . . . . . -145.66 -129.21 2.07 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.135 . . . . 62.530000000000001 110.984 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 783' ' ' THR . . . . . . . . . . . . . 1.2 m -156.06 151.05 26.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 0.796 . . . . 74.439999999999998 110.378 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 784' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -124.0 -64.75 1.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.588 1.18 . . . . 74.219999999999999 110.974 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 785' ' ' GLY . . . . . 0.448 ' O ' ' CG2' ' A' ' 786' ' ' THR . . . -175.21 -108.7 0.23 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.484 1.115 . . . . 63.030000000000001 110.983 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 786' ' ' THR . . . . . 0.448 ' CG2' ' O ' ' A' ' 785' ' ' GLY . 3.2 p -158.12 169.88 23.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 0.777 . . . . 71.109999999999999 110.411 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 787' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 809' ' ' ILE . . . -142.19 122.81 14.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 75.140000000000001 109.288 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 788' ' ' LYS . . . . . . . . . . . . . 13.8 mtpt -70.81 165.8 22.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 75.019999999999996 109.332 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -106.2 116.88 32.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 63.229999999999997 109.322 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 790' ' ' ARG . . . . . 0.549 ' HB2' ' CE1' ' A' ' 791' ' ' TYR . 13.3 mmt180 -97.07 0.73 49.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 71.219999999999999 110.288 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 791' ' ' TYR . . . . . 0.549 ' CE1' ' HB2' ' A' ' 790' ' ' ARG . 27.4 m-85 -152.0 139.44 19.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 73.439999999999998 111.011 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -79.38 112.64 16.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 71.319999999999993 109.279 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 793' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -110.41 113.87 26.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 72.5 110.964 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 2.9 t -95.85 95.78 8.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 71.109999999999999 108.283 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -43.21 133.58 3.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 73.549999999999997 109.327 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.4 -15.2 21.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.579 1.175 . . . . 73.409999999999997 110.306 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -141.89 174.5 10.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 71.239999999999995 109.297 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -81.63 3.48 25.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 75.150000000000006 110.32 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 97.3 p -102.71 8.52 39.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 61.240000000000002 110.004 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -121.1 148.64 43.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 73.209999999999994 110.296 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 801' ' ' LEU . . . . . 0.42 ' HB2' ' N ' ' A' ' 831' ' ' TRP . 0.9 OUTLIER -85.68 137.86 32.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 73.409999999999997 109.245 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 802' ' ' SER . . . . . 0.408 ' N ' HD21 ' A' ' 801' ' ' LEU . 0.2 OUTLIER -77.68 97.85 5.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 73.129999999999995 110.003 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 803' ' ' LEU . . . . . 0.445 HD23 ' CG1' ' A' ' 837' ' ' VAL . 1.0 OUTLIER -93.12 153.41 18.68 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.464 1.102 . . . . 73.430000000000007 109.289 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 8.4 mtmm -163.4 120.78 1.86 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 75.340000000000003 109.283 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -44.83 147.74 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 75.030000000000001 110.338 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 75.93 21.39 76.44 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.451 1.094 . . . . 51.340000000000003 111.033 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -128.94 163.06 26.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.745 . . . . 75.239999999999995 109.279 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 808' ' ' ILE . . . . . 0.548 ' N ' ' CD1' ' A' ' 808' ' ' ILE . 0.0 OUTLIER -110.31 152.62 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 71.129999999999995 109.293 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 809' ' ' ILE . . . . . 0.578 ' CG2' ' CZ ' ' A' ' 832' ' ' PHE . 1.2 mp -123.72 116.9 49.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 74.430000000000007 109.318 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 810' ' ' LYS . . . . . 0.415 ' HD2' ' N ' ' A' ' 811' ' ' ILE . 5.9 tptm -75.79 115.9 15.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 73.219999999999999 109.322 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 811' ' ' ILE . . . . . 0.415 ' N ' ' HD2' ' A' ' 810' ' ' LYS . 2.8 mm -74.6 116.12 16.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 71.409999999999997 109.318 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 812' ' ' LEU . . . . . 0.414 ' CD2' ' HG3' ' A' ' 810' ' ' LYS . 0.9 OUTLIER -107.66 -49.89 3.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 74.209999999999994 109.296 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 813' ' ' ASN . . . . . 0.435 HD21 ' N ' ' A' ' 814' ' ' LYS . 0.1 OUTLIER -128.5 136.58 50.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 74.439999999999998 109.299 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 814' ' ' LYS . . . . . 0.435 ' N ' HD21 ' A' ' 813' ' ' ASN . 14.4 ttpp -115.76 82.49 1.77 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 74.019999999999996 109.291 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -69.48 99.18 1.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 73.200000000000003 109.294 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 816' ' ' GLY . . . . . . . . . . . . . . . 55.9 176.19 0.22 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.481 1.113 . . . . 64.450000000000003 111.01 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -90.81 -23.75 20.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 0.742 . . . . 72.340000000000003 110.313 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -117.0 100.8 7.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 75.340000000000003 110.295 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . 165.35 -111.39 0.46 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.504 1.128 . . . . 43.350000000000001 110.977 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 820' ' ' TRP . . . . . 0.743 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.4 OUTLIER -142.35 172.16 13.06 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.022 -1.103 . . . . 73.329999999999998 108.022 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 821' ' ' TRP . . . . . 0.556 ' CH2' ' HB2' ' A' ' 834' ' ' SER . 45.4 m0 -127.53 136.49 51.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 75.329999999999998 108.019 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 822' ' ' ARG . . . . . 0.417 ' HB3' ' CB ' ' A' ' 813' ' ' ASN . 5.9 tmm_? -87.92 102.37 14.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 74.099999999999994 110.297 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -121.99 -158.1 10.21 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.498 1.124 . . . . 44.210000000000001 110.99 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 824' ' ' GLU . . . . . 0.472 ' HB2' ' CD1' ' A' ' 829' ' ' ILE . 0.5 OUTLIER -165.66 149.61 8.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 0.787 . . . . 62.5 110.314 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 825' ' ' ILE . . . . . 0.569 HG23 ' CD2' ' A' ' 826' ' ' TYR . 2.7 mt -139.08 127.67 28.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 75.530000000000001 109.267 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 826' ' ' TYR . . . . . 0.569 ' CD2' HG23 ' A' ' 825' ' ' ILE . 3.8 m-30 61.39 16.73 7.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 74.319999999999993 111.011 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 98.5 -8.76 62.31 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.515 1.134 . . . . 73.019999999999996 111.0 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.21 118.24 23.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 0.738 . . . . 74.530000000000001 110.259 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 829' ' ' ILE . . . . . 0.472 ' CD1' ' HB2' ' A' ' 824' ' ' GLU . 2.5 mm -88.46 158.4 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 74.409999999999997 109.295 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 172.83 -165.37 37.71 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.49 1.119 . . . . 71.430000000000007 110.962 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 831' ' ' TRP . . . . . 0.743 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 63.3 m95 -127.77 150.36 49.84 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.995 -1.113 . . . . 73.239999999999995 107.995 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 832' ' ' PHE . . . . . 0.578 ' CZ ' ' CG2' ' A' ' 809' ' ' ILE . 46.7 p90 -155.67 153.22 25.83 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 75.200000000000003 110.98 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 833' ' ' PRO . . . . . 0.493 ' HG2' ' CG ' ' A' ' 836' ' ' TYR . 18.4 Cg_endo -74.98 146.61 32.92 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.498 1.789 . . . . 73.329999999999998 111.028 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 834' ' ' SER . . . . . 0.556 ' HB2' ' CH2' ' A' ' 821' ' ' TRP . 6.9 p -82.4 3.31 28.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 74.219999999999999 110.064 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -103.98 0.37 29.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 71.209999999999994 109.333 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 836' ' ' TYR . . . . . 0.493 ' CG ' ' HG2' ' A' ' 833' ' ' PRO . 10.4 m-85 -117.21 17.99 14.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 75.209999999999994 111.044 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . 0.445 ' CG1' HD23 ' A' ' 803' ' ' LEU . 24.8 m -151.14 157.3 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 74.219999999999999 109.308 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 838' ' ' GLU . . . . . 0.443 ' OE1' ' NH2' ' A' ' 790' ' ' ARG . 12.1 mt-10 -87.04 179.85 6.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 71.109999999999999 110.33 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 31.9 mp0 -154.96 129.96 9.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 75.230000000000004 110.284 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 30.7 t70 43.63 31.31 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 74.340000000000003 109.315 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 841' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -59.18 -174.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 74.329999999999998 111.036 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 842' ' ' SER . . . . . . . . . . . . . 4.3 p -109.53 169.92 8.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 63.5 109.992 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -95.3 130.12 42.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 74.140000000000001 110.287 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 844' ' ' TYR . . . . . 0.587 ' O ' ' CD1' ' A' ' 844' ' ' TYR . 1.3 t80 -125.87 34.55 4.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 71.040000000000006 110.996 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 845' ' ' LEU . . . . . . . . . . . . . 17.1 mt -48.94 155.21 1.11 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 74.340000000000003 109.314 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 846' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -163.99 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.462 1.769 . . . . 74.540000000000006 110.963 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -87.1 114.78 24.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 73.239999999999995 110.299 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 848' ' ' THR . . . . . . . . . . . . . 37.6 p . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 73.209999999999994 110.405 179.999 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.03 -0.828 . . . . 74.030000000000001 111.03 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 781' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -163.71 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.498 1.788 . . . . 73.319999999999993 110.975 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 782' ' ' GLY . . . . . . . . . . . . . . . 127.56 -156.48 20.53 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.506 1.129 . . . . 73.439999999999998 111.006 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 783' ' ' THR . . . . . . . . . . . . . 17.2 m -92.57 -60.68 1.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 74.010000000000005 110.417 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 784' ' ' PHE . . . . . 0.562 ' CD2' HG23 ' A' ' 811' ' ' ILE . 37.0 m-85 -81.22 -174.37 4.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 73.439999999999998 111.017 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . -126.99 -120.41 2.35 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.527 1.142 . . . . 71.420000000000002 110.976 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 2.4 p -150.66 172.25 15.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 0.784 . . . . 63.329999999999998 110.372 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -143.55 117.7 9.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 71.25 109.312 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 788' ' ' LYS . . . . . 0.556 ' HB2' ' CE2' ' A' ' 841' ' ' TYR . 10.2 tttt -76.7 121.39 23.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 74.420000000000002 109.304 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . 0.416 ' HB2' ' CD1' ' A' ' 809' ' ' ILE . . . -64.81 134.45 54.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 75.409999999999997 109.297 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 790' ' ' ARG . . . . . 0.481 ' C ' ' CD1' ' A' ' 791' ' ' TYR . 10.3 mmt85 -115.97 0.27 13.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 74.120000000000005 110.359 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 791' ' ' TYR . . . . . 0.481 ' CD1' ' C ' ' A' ' 790' ' ' ARG . 25.9 m-85 -144.15 137.8 27.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 75.319999999999993 111.019 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -75.38 119.56 19.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 75.310000000000002 109.309 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 793' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -128.76 113.9 15.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 73.430000000000007 110.99 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 21.4 t -85.39 139.11 31.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 74.120000000000005 108.318 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -93.18 98.58 11.38 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 64.010000000000005 109.3 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 16.9 mmt-85 -51.27 -24.92 4.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 74.420000000000002 110.285 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -151.21 178.57 9.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 75.329999999999998 109.318 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 44.2 mtp180 -73.02 -4.01 29.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 74.099999999999994 110.334 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 10.9 p -79.69 -20.64 46.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 71.120000000000005 110.012 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -105.12 149.97 25.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 64.329999999999998 110.288 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 801' ' ' LEU . . . . . 0.481 HD12 ' CD1' ' A' ' 832' ' ' PHE . 1.0 OUTLIER -84.42 132.63 34.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 63.520000000000003 109.284 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.67 100.8 2.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 71.519999999999996 110.012 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 803' ' ' LEU . . . . . . . . . . . . . 2.3 tp -97.48 146.51 25.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 74.450000000000003 109.298 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.89 111.7 2.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 73.439999999999998 109.279 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 805' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 791' ' ' TYR . 3.0 mt-10 -39.7 146.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 65.140000000000001 110.277 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 77.4 19.57 76.26 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.53 1.144 . . . . 71.040000000000006 111.031 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -126.74 163.82 22.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 0.739 . . . . 72.549999999999997 109.297 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 808' ' ' ILE . . . . . 0.537 ' N ' ' CD1' ' A' ' 808' ' ' ILE . 0.0 OUTLIER -108.65 148.01 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 71.230000000000004 109.293 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 809' ' ' ILE . . . . . 0.559 HG22 ' CZ ' ' A' ' 832' ' ' PHE . 1.2 mp -118.83 116.29 50.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 71.25 109.261 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 810' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -75.27 113.69 12.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 63.439999999999998 109.246 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 811' ' ' ILE . . . . . 0.562 HG23 ' CD2' ' A' ' 784' ' ' PHE . 2.9 mm -72.77 113.91 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 73.230000000000004 109.264 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 812' ' ' LEU . . . . . 0.463 ' CD1' ' HA2' ' A' ' 823' ' ' GLY . 0.8 OUTLIER -105.07 -48.68 3.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 74.230000000000004 109.299 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -130.94 140.28 50.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 73.25 109.276 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 814' ' ' LYS . . . . . . . . . . . . . 15.9 ttpp -119.65 82.87 1.95 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.531 1.145 . . . . 75.219999999999999 109.241 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -64.43 92.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 72.120000000000005 109.277 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 816' ' ' GLY . . . . . . . . . . . . . . . 61.74 172.43 1.23 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 73.140000000000001 110.978 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -75.28 -22.35 57.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 61.25 110.29 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 7.5 pm0 -123.02 146.57 47.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 70.530000000000001 110.287 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . 126.14 -109.07 1.09 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.546 1.154 . . . . 61.509999999999998 110.969 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 820' ' ' TRP . . . . . 0.737 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.4 OUTLIER -142.35 172.54 12.55 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.015 -1.105 . . . . 75.420000000000002 108.015 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 821' ' ' TRP . . . . . 0.56 ' O ' ' CD1' ' A' ' 832' ' ' PHE . 40.0 m0 -128.89 136.39 50.36 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.978 -1.119 . . . . 74.409999999999997 107.978 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 822' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -86.78 109.24 19.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 75.129999999999995 110.294 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 823' ' ' GLY . . . . . 0.463 ' HA2' ' CD1' ' A' ' 812' ' ' LEU . . . -137.77 -175.66 14.01 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.449 1.093 . . . . 44.439999999999998 111.031 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 824' ' ' GLU . . . . . 0.443 ' HB3' ' CD1' ' A' ' 829' ' ' ILE . 0.8 OUTLIER -141.24 167.46 22.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 0.744 . . . . 73.530000000000001 110.306 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 825' ' ' ILE . . . . . 0.464 HD13 ' CD1' ' A' ' 809' ' ' ILE . 1.9 mt -156.91 122.12 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 74.430000000000007 109.337 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 826' ' ' TYR . . . . . 0.471 ' CD1' ' N ' ' A' ' 826' ' ' TYR . 5.4 m-30 58.44 23.92 11.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 75.019999999999996 111.02 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 90.44 10.23 63.96 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.509 1.131 . . . . 73.420000000000002 110.976 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 80.7 mtt-85 -99.74 111.45 23.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 0.765 . . . . 73.510000000000005 110.313 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 829' ' ' ILE . . . . . 0.443 ' CD1' ' HB3' ' A' ' 824' ' ' GLU . 4.8 mm -90.49 155.14 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 72.230000000000004 109.299 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 168.66 -160.26 33.69 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.495 1.122 . . . . 74.450000000000003 111.003 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 831' ' ' TRP . . . . . 0.737 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 61.7 m95 -128.19 147.7 50.58 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.987 -1.116 . . . . 73.430000000000007 107.987 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 832' ' ' PHE . . . . . 0.56 ' CD1' ' O ' ' A' ' 821' ' ' TRP . 32.0 p90 -150.18 151.02 30.9 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 74.420000000000002 111.011 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 148.32 35.41 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.514 1.797 . . . . 75.510000000000005 111.01 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 834' ' ' SER . . . . . 0.551 ' HB2' ' CH2' ' A' ' 821' ' ' TRP . 15.1 p -84.19 3.94 32.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 75.329999999999998 110.019 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -96.4 -11.82 25.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 75.510000000000005 109.253 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 836' ' ' TYR . . . . . 0.466 ' HA ' ' CD1' ' A' ' 791' ' ' TYR . 5.9 m-85 -113.7 27.55 9.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 73.510000000000005 110.993 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . 0.425 ' CG1' ' O ' ' A' ' 836' ' ' TYR . 25.3 m -154.39 163.25 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 75.200000000000003 109.272 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 838' ' ' GLU . . . . . 0.42 ' HG2' ' CG ' ' A' ' 790' ' ' ARG . 59.6 mm-40 -135.23 123.99 23.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 74.450000000000003 110.345 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -113.25 155.19 25.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 75.439999999999998 110.293 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 46.8 t0 57.13 51.37 10.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 70.019999999999996 109.322 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 841' ' ' TYR . . . . . 0.556 ' CE2' ' HB2' ' A' ' 788' ' ' LYS . 28.8 p90 -104.17 139.24 39.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 70.439999999999998 110.959 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 842' ' ' SER . . . . . . . . . . . . . 51.9 p -56.85 -175.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 71.030000000000001 110.005 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -131.22 153.49 49.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 74.219999999999999 110.327 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 844' ' ' TYR . . . . . 0.401 ' O ' ' O ' ' A' ' 845' ' ' LEU . 0.4 OUTLIER 66.79 35.94 4.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 72.239999999999995 111.018 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 845' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 844' ' ' TYR . 0.7 OUTLIER -42.3 162.87 0.15 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 75.310000000000002 109.304 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 846' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 170.0 21.37 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.515 1.798 . . . . 72.239999999999995 111.039 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 34.6 mp0 -150.65 162.82 39.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 73.400000000000006 110.302 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 848' ' ' THR . . . . . . . . . . . . . 4.7 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 73.129999999999995 110.401 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.064 -0.814 . . . . 60.329999999999998 111.064 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 781' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 149.9 37.17 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.505 1.792 . . . . 71.329999999999998 110.996 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 782' ' ' GLY . . . . . . . . . . . . . . . -102.31 -122.75 5.12 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.522 1.139 . . . . 65.549999999999997 110.994 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 783' ' ' THR . . . . . . . . . . . . . 55.3 m -92.8 -38.94 11.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 0.738 . . . . 74.430000000000007 110.389 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 784' ' ' PHE . . . . . 0.558 ' CD1' HG23 ' A' ' 811' ' ' ILE . 14.7 m-85 -65.22 -175.3 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 74.519999999999996 111.028 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . -154.38 -102.64 0.21 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.514 1.134 . . . . 65.019999999999996 110.998 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 3.2 p -153.24 170.49 20.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 0.741 . . . . 74.310000000000002 110.382 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -144.96 107.48 4.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 71.209999999999994 109.282 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 788' ' ' LYS . . . . . 0.505 ' HB2' ' CZ ' ' A' ' 841' ' ' TYR . 36.7 tttt -66.71 130.92 44.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 73.150000000000006 109.299 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . 0.45 ' HB2' ' CD1' ' A' ' 809' ' ' ILE . . . -77.47 133.72 38.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 71.099999999999994 109.325 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 790' ' ' ARG . . . . . 0.495 ' C ' ' CG ' ' A' ' 791' ' ' TYR . 17.9 mmm180 -104.23 -0.12 28.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 74.25 110.281 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 791' ' ' TYR . . . . . 0.495 ' CG ' ' C ' ' A' ' 790' ' ' ARG . 32.2 m-85 -159.35 128.93 5.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 72.230000000000004 111.003 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -65.77 108.99 2.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 75.219999999999999 109.316 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 793' ' ' PHE . . . . . 0.452 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.2 t80 -98.54 123.03 42.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 75.120000000000005 111.009 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 58.5 m -87.65 124.27 33.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 74.340000000000003 108.27 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -88.19 125.49 34.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 75.439999999999998 109.293 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -98.32 -24.81 15.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 74.040000000000006 110.331 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -139.3 172.63 12.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 75.040000000000006 109.326 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -68.57 -8.54 42.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 75.129999999999995 110.259 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 60.5 p -88.89 16.35 7.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 74.109999999999999 109.98 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 800' ' ' GLU . . . . . 0.422 ' CD ' ' CE2' ' A' ' 793' ' ' PHE . 11.4 tt0 -139.79 145.88 38.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 75.420000000000002 110.293 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 801' ' ' LEU . . . . . 0.419 HD21 ' N ' ' A' ' 802' ' ' SER . 0.9 OUTLIER -101.77 136.61 41.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 73.310000000000002 109.312 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 802' ' ' SER . . . . . 0.419 ' N ' HD21 ' A' ' 801' ' ' LEU . 4.1 m -76.58 100.97 5.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 71.340000000000003 109.97 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 803' ' ' LEU . . . . . 0.452 ' HB2' ' CB ' ' A' ' 793' ' ' PHE . 0.6 OUTLIER -94.21 157.11 16.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 75.030000000000001 109.262 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 804' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 805' ' ' GLU . 0.4 OUTLIER -156.28 111.41 2.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 73.400000000000006 109.283 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 805' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 804' ' ' LYS . 5.0 mt-10 -38.91 135.0 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 62.130000000000003 110.31 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 91.47 -8.06 79.36 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.528 1.142 . . . . 72.120000000000005 110.977 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -99.8 159.28 15.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 0.789 . . . . 61.32 109.285 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 808' ' ' ILE . . . . . 0.54 ' N ' ' CD1' ' A' ' 808' ' ' ILE . 0.0 OUTLIER -110.36 138.03 40.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 70.340000000000003 109.287 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 809' ' ' ILE . . . . . 0.647 ' CG2' ' CZ ' ' A' ' 832' ' ' PHE . 1.3 mp -107.17 114.87 47.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 63.409999999999997 109.29 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 810' ' ' LYS . . . . . 0.447 ' HG3' ' CD2' ' A' ' 812' ' ' LEU . 5.1 tptm -68.18 113.63 5.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 65.450000000000003 109.288 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 811' ' ' ILE . . . . . 0.558 HG23 ' CD1' ' A' ' 784' ' ' PHE . 4.3 mm -76.76 110.02 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 71.010000000000005 109.289 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 812' ' ' LEU . . . . . 0.447 ' CD2' ' HG3' ' A' ' 810' ' ' LYS . 1.3 mt -100.16 -38.08 8.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 74.129999999999995 109.288 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -141.89 140.13 32.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 73.430000000000007 109.311 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 814' ' ' LYS . . . . . 0.417 ' C ' ' N ' ' A' ' 816' ' ' GLY . 11.6 ttpp -125.18 79.88 1.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 71.439999999999998 109.29 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 9.6 mtpp -43.06 -29.08 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 75.299999999999997 109.28 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 816' ' ' GLY . . . . . 0.417 ' N ' ' C ' ' A' ' 814' ' ' LYS . . . 150.05 159.22 8.58 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.48 1.113 . . . . 64.340000000000003 111.003 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -61.21 -14.9 29.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 0.789 . . . . 73.420000000000002 110.281 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -111.11 89.59 3.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 75.430000000000007 110.307 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . 149.49 -117.18 0.84 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.519 1.137 . . . . 53.210000000000001 110.966 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 820' ' ' TRP . . . . . 0.493 ' CE3' ' HB3' ' A' ' 831' ' ' TRP . 0.3 OUTLIER -142.34 171.44 14.05 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.974 -1.121 . . . . 73.329999999999998 107.974 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 821' ' ' TRP . . . . . 0.549 ' CH2' ' HB2' ' A' ' 834' ' ' SER . 50.3 m0 -124.49 143.25 50.76 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.955 -1.128 . . . . 75.140000000000001 107.955 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 822' ' ' ARG . . . . . 0.508 ' HG3' ' CE2' ' A' ' 831' ' ' TRP . 1.9 ttt180 -95.76 102.57 14.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 74.420000000000002 110.329 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -126.18 -165.87 12.11 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 74.319999999999993 111.009 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 824' ' ' GLU . . . . . 0.49 ' CG ' ' N ' ' A' ' 825' ' ' ILE . 18.6 tt0 -156.65 158.8 37.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 0.738 . . . . 74.420000000000002 110.329 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 825' ' ' ILE . . . . . 0.49 ' N ' ' CG ' ' A' ' 824' ' ' GLU . 3.1 mt -148.22 128.18 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 75.120000000000005 109.314 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 56.96 23.1 7.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 75.200000000000003 110.974 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 88.54 14.71 61.19 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.494 1.121 . . . . 75.430000000000007 110.989 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . 0.48 ' CD ' ' O ' ' A' ' 825' ' ' ILE . 2.8 mpt_? -105.45 114.14 28.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.583 0.814 . . . . 75.430000000000007 110.303 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 829' ' ' ILE . . . . . 0.461 ' CD1' ' HB2' ' A' ' 824' ' ' GLU . 2.5 mm -87.39 153.44 3.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 75.239999999999995 109.296 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 176.43 -178.36 47.78 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.529 1.143 . . . . 75.319999999999993 111.006 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 831' ' ' TRP . . . . . 0.508 ' CE2' ' HG3' ' A' ' 822' ' ' ARG . 81.7 m95 -118.72 144.2 46.39 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.997 -1.112 . . . . 72.239999999999995 107.997 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 832' ' ' PHE . . . . . 0.647 ' CZ ' ' CG2' ' A' ' 809' ' ' ILE . 35.3 p90 -151.73 151.76 29.03 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 75.219999999999999 111.034 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 148.11 34.62 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.474 1.776 . . . . 72.150000000000006 110.944 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 834' ' ' SER . . . . . 0.549 ' HB2' ' CH2' ' A' ' 821' ' ' TRP . 52.0 p -83.79 3.92 31.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 75.230000000000004 109.98 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -96.33 -10.03 28.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 72.239999999999995 109.263 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -109.88 -1.68 17.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 74.430000000000007 111.0 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 33.0 m -126.38 173.69 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 74.120000000000005 109.314 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 838' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 788' ' ' LYS . 61.0 mm-40 -144.4 123.64 12.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 73.530000000000001 110.284 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.13 168.38 9.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 74.230000000000004 110.342 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 23.4 t0 40.42 46.48 2.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 73.019999999999996 109.319 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 841' ' ' TYR . . . . . 0.505 ' CZ ' ' HB2' ' A' ' 788' ' ' LYS . 37.0 p90 -97.9 -33.64 11.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 74.400000000000006 111.035 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 842' ' ' SER . . . . . 0.493 ' OG ' ' CE1' ' A' ' 841' ' ' TYR . 87.6 p -156.79 153.05 27.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 60.020000000000003 110.04 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -167.56 148.01 5.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 73.329999999999998 110.303 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 844' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 59.45 53.72 5.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 75.430000000000007 111.035 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 845' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -60.78 155.64 50.76 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 70.329999999999998 109.269 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 846' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 141.62 27.15 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.49 1.784 . . . . 72.420000000000002 111.018 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -41.99 154.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 75.219999999999999 110.351 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 848' ' ' THR . . . . . . . . . . . . . 3.1 p . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 55.340000000000003 110.383 179.988 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.019 -0.832 . . . . 73.239999999999995 111.019 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 781' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 70.71 5.22 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 70.409999999999997 110.99 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 782' ' ' GLY . . . . . . . . . . . . . . . 147.66 -166.51 28.74 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.489 1.118 . . . . 73.219999999999999 110.996 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 783' ' ' THR . . . . . . . . . . . . . 3.9 m -116.6 52.17 0.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 72.420000000000002 110.372 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 784' ' ' PHE . . . . . 0.509 ' CE1' ' HG3' ' A' ' 814' ' ' LYS . 7.0 m-85 -68.8 160.63 30.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 74.019999999999996 110.999 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . -115.15 -122.44 3.57 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 73.040000000000006 111.021 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 3.6 p -141.6 -178.24 5.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 0.782 . . . . 74.430000000000007 110.446 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 787' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 809' ' ' ILE . . . -148.39 110.62 4.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 71.400000000000006 109.308 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 788' ' ' LYS . . . . . 0.569 ' HB2' ' CE2' ' A' ' 841' ' ' TYR . 10.2 tttt -79.91 120.41 24.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 71.420000000000002 109.298 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -64.87 135.33 55.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 71.5 109.294 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 790' ' ' ARG . . . . . 0.423 ' CG ' ' CD ' ' A' ' 838' ' ' GLU . 4.2 mmm180 -107.84 -6.66 16.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 74.409999999999997 110.265 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 791' ' ' TYR . . . . . 0.448 ' CA ' ' HG3' ' A' ' 805' ' ' GLU . 76.9 m-85 -141.71 135.54 29.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 75.109999999999999 111.005 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -68.2 98.41 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 71.430000000000007 109.279 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 793' ' ' PHE . . . . . 0.45 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.1 t80 -83.75 178.09 8.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 73.340000000000003 111.013 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 3.8 t -152.27 111.13 3.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 73.310000000000002 108.343 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -80.4 139.32 36.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 73.239999999999995 109.26 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 796' ' ' ARG . . . . . 0.465 ' CZ ' ' HB2' ' A' ' 797' ' ' ASP . 0.0 OUTLIER -117.15 -7.6 11.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 75.549999999999997 110.309 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 797' ' ' ASP . . . . . 0.465 ' HB2' ' CZ ' ' A' ' 796' ' ' ARG . 25.4 t70 -154.22 163.81 39.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 75.109999999999999 109.286 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 36.3 ptt-85 -64.96 -18.53 65.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 75.239999999999995 110.268 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 52.1 p -73.94 -8.42 56.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 72.420000000000002 110.007 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -118.16 151.66 37.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 74.200000000000003 110.317 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 801' ' ' LEU . . . . . 0.413 HD22 ' N ' ' A' ' 802' ' ' SER . 0.8 OUTLIER -101.1 138.47 38.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 73.049999999999997 109.313 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 802' ' ' SER . . . . . 0.413 ' N ' HD22 ' A' ' 801' ' ' LEU . 0.4 OUTLIER -77.93 104.24 8.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 74.430000000000007 110.003 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 803' ' ' LEU . . . . . 0.461 HD13 ' CG1' ' A' ' 809' ' ' ILE . 2.2 mp -101.14 151.27 22.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 75.019999999999996 109.278 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -156.8 118.63 3.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 74.099999999999994 109.265 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 805' ' ' GLU . . . . . 0.448 ' HG3' ' CA ' ' A' ' 791' ' ' TYR . 4.8 mt-10 -39.15 135.3 0.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 72.140000000000001 110.273 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 85.5 4.93 85.33 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.528 1.143 . . . . 73.329999999999998 111.0 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -107.62 158.06 17.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 0.768 . . . . 73.430000000000007 109.277 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 808' ' ' ILE . . . . . 0.51 ' N ' ' CD1' ' A' ' 808' ' ' ILE . 0.0 OUTLIER -109.85 147.09 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 75.519999999999996 109.328 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 809' ' ' ILE . . . . . 0.586 ' CG2' ' CZ ' ' A' ' 832' ' ' PHE . 1.6 mp -118.63 115.97 49.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 65.239999999999995 109.274 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 810' ' ' LYS . . . . . . . . . . . . . 6.8 tptm -71.87 112.07 7.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 73.5 109.319 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 811' ' ' ILE . . . . . . . . . . . . . 15.8 mm -70.35 121.05 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 72.129999999999995 109.306 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 812' ' ' LEU . . . . . . . . . . . . . 2.2 mt -113.09 -48.02 3.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 75.140000000000001 109.28 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -124.28 151.25 44.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 74.349999999999994 109.258 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 814' ' ' LYS . . . . . 0.526 ' HA ' ' CD1' ' A' ' 821' ' ' TRP . 9.5 mttm -129.96 82.04 2.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 75.540000000000006 109.359 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . 0.408 ' NZ ' ' HA ' ' A' ' 815' ' ' LYS . 0.4 OUTLIER -72.34 102.28 3.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 75.530000000000001 109.317 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 816' ' ' GLY . . . . . . . . . . . . . . . 52.54 172.88 0.03 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.501 1.125 . . . . 62.020000000000003 110.978 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -89.01 -0.9 57.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 0.761 . . . . 74.340000000000003 110.304 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -136.68 132.69 35.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 74.329999999999998 110.293 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . 129.62 -107.16 0.78 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.475 1.109 . . . . 63.149999999999999 110.988 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 820' ' ' TRP . . . . . 0.587 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.34 172.56 12.53 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.987 -1.116 . . . . 75.510000000000005 107.987 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 821' ' ' TRP . . . . . 0.526 ' CD1' ' HA ' ' A' ' 814' ' ' LYS . 11.9 m0 -131.41 144.69 51.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 74.310000000000002 107.99 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 822' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -90.23 132.56 35.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 74.519999999999996 110.335 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -152.23 -155.51 7.08 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.558 1.161 . . . . 63.030000000000001 111.028 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 824' ' ' GLU . . . . . 0.472 ' HB2' ' CD1' ' A' ' 829' ' ' ILE . 18.2 tt0 -167.45 156.79 10.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 0.746 . . . . 74.430000000000007 110.292 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 825' ' ' ILE . . . . . 0.569 HG23 ' CE1' ' A' ' 826' ' ' TYR . 2.3 mt -147.39 124.13 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 73.299999999999997 109.32 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 826' ' ' TYR . . . . . 0.569 ' CE1' HG23 ' A' ' 825' ' ' ILE . 3.2 m-30 61.72 19.16 10.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 75.140000000000001 110.985 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 96.73 -2.98 62.61 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.52 1.138 . . . . 74.030000000000001 111.043 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . 0.462 ' CD ' ' HB2' ' A' ' 826' ' ' TYR . 1.8 mpt_? -88.35 115.31 25.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.742 . . . . 74.400000000000006 110.287 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 829' ' ' ILE . . . . . 0.472 ' CD1' ' HB2' ' A' ' 824' ' ' GLU . 2.9 mm -87.42 155.01 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 65.530000000000001 109.332 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 173.15 -163.56 35.2 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.499 1.124 . . . . 74.409999999999997 111.006 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 831' ' ' TRP . . . . . 0.587 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 43.3 m95 -128.97 170.67 13.17 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.039 -1.097 . . . . 75.209999999999994 108.039 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 832' ' ' PHE . . . . . 0.586 ' CZ ' ' CG2' ' A' ' 809' ' ' ILE . 29.0 p90 -175.14 152.3 1.44 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.125 . . . . 71.209999999999994 111.011 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 146.79 33.17 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.779 . . . . 70.120000000000005 111.01 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 11.1 p -85.0 3.86 36.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 71.010000000000005 110.003 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -100.59 -3.83 29.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 75.099999999999994 109.282 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -110.8 -4.81 15.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.117 . . . . 75.25 111.023 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 29.1 m -128.63 166.32 26.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 75.450000000000003 109.293 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 838' ' ' GLU . . . . . 0.423 ' CD ' ' CG ' ' A' ' 790' ' ' ARG . 33.2 mt-10 -111.54 133.18 54.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 71.420000000000002 110.317 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 839' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 841' ' ' TYR . 0.3 OUTLIER -109.84 142.53 41.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 74.349999999999994 110.317 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 840' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 839' ' ' GLU . 23.7 t0 40.0 29.87 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 70.209999999999994 109.308 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 841' ' ' TYR . . . . . 0.569 ' CE2' ' HB2' ' A' ' 788' ' ' LYS . 2.1 p90 -46.83 -25.77 0.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 71.230000000000004 111.015 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 842' ' ' SER . . . . . . . . . . . . . 81.0 p -161.14 153.63 20.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 64.319999999999993 110.029 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -89.01 140.86 29.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 75.129999999999995 110.364 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 844' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -108.06 52.09 0.72 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 72.219999999999999 111.026 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 845' ' ' LEU . . . . . . . . . . . . . 15.5 mt -71.58 155.82 92.08 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 73.540000000000006 109.32 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 846' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 152.32 40.47 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.545 1.813 . . . . 74.150000000000006 110.992 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -78.84 152.74 31.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 71.329999999999998 110.306 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 848' ' ' THR . . . . . . . . . . . . . 25.0 p . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 72.010000000000005 110.394 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.012 -0.835 . . . . 62.539999999999999 111.012 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 781' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 106.55 2.3 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.494 1.786 . . . . 70.409999999999997 110.991 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 782' ' ' GLY . . . . . . . . . . . . . . . 142.12 54.47 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.547 1.154 . . . . 71.310000000000002 111.009 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 783' ' ' THR . . . . . . . . . . . . . 90.9 m -48.83 150.79 1.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 0.79 . . . . 75.540000000000006 110.416 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 784' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -126.43 -177.98 4.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 75.430000000000007 110.961 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . -145.63 -112.98 0.8 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.533 1.145 . . . . 62.310000000000002 110.967 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 2.6 p -138.27 -179.06 5.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 0.787 . . . . 73.340000000000003 110.407 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 787' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 809' ' ' ILE . . . -150.34 104.71 3.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 73.450000000000003 109.294 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 788' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -74.31 114.08 12.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 74.140000000000001 109.335 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -58.99 126.78 29.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 64.439999999999998 109.309 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 790' ' ' ARG . . . . . 0.443 ' C ' ' CD1' ' A' ' 791' ' ' TYR . 14.0 mmt180 -107.01 -3.1 20.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 75.219999999999999 110.355 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 791' ' ' TYR . . . . . 0.443 ' CD1' ' C ' ' A' ' 790' ' ' ARG . 75.9 m-85 -153.33 128.26 9.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 73.219999999999999 111.022 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . 0.404 ' OD2' ' N ' ' A' ' 792' ' ' ASP . 16.7 p-10 -64.77 109.86 2.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 75.5 109.32 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 793' ' ' PHE . . . . . 0.557 ' CZ ' ' HG3' ' A' ' 833' ' ' PRO . 4.5 t80 -102.94 132.02 49.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 73.310000000000002 110.997 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 34.6 m -88.09 127.64 35.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 73.219999999999999 108.316 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 796' ' ' ARG . . . -82.2 103.43 11.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 64.450000000000003 109.303 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 796' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 795' ' ' ALA . 12.1 ptm180 -38.94 -34.89 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 74.450000000000003 110.352 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -157.06 174.69 15.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 72.310000000000002 109.286 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 4.2 tpt85 -59.09 -25.95 64.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 74.420000000000002 110.322 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.94 -21.58 64.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 71.0 109.995 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -97.25 146.21 25.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 70.450000000000003 110.304 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 801' ' ' LEU . . . . . 0.453 ' CB ' ' O ' ' A' ' 831' ' ' TRP . 4.0 tp -84.31 133.03 34.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.153 . . . . 74.239999999999995 109.318 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 9.4 t -94.98 122.32 37.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 73.519999999999996 110.008 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 803' ' ' LEU . . . . . 0.451 ' HB2' ' CB ' ' A' ' 793' ' ' PHE . 0.2 OUTLIER -96.08 160.48 14.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 73.530000000000001 109.277 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 804' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 805' ' ' GLU . 0.6 OUTLIER -157.34 110.62 2.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 73.230000000000004 109.317 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 805' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 791' ' ' TYR . 4.6 mt-10 -38.86 136.63 0.74 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 72.439999999999998 110.304 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 86.34 6.06 81.65 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.496 1.123 . . . . 51.039999999999999 111.01 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -109.43 157.16 19.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 0.787 . . . . 75.439999999999998 109.228 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 808' ' ' ILE . . . . . 0.529 ' N ' ' CD1' ' A' ' 808' ' ' ILE . 0.0 OUTLIER -109.58 138.73 35.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.528 1.142 . . . . 73.530000000000001 109.284 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 809' ' ' ILE . . . . . 0.587 ' CG2' ' CZ ' ' A' ' 832' ' ' PHE . 2.1 mp -116.13 117.23 54.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.425 1.078 . . . . 75.129999999999995 109.315 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 810' ' ' LYS . . . . . . . . . . . . . 5.3 tptm -76.23 114.21 14.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 75.400000000000006 109.261 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 811' ' ' ILE . . . . . . . . . . . . . 2.9 mm -70.2 124.36 26.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 71.400000000000006 109.333 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 812' ' ' LEU . . . . . . . . . . . . . 1.4 mt -116.23 -43.66 2.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 75.430000000000007 109.278 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -132.78 157.81 44.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 75.219999999999999 109.315 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 814' ' ' LYS . . . . . 0.415 ' HD3' ' NE1' ' A' ' 821' ' ' TRP . 13.6 mttt -137.75 79.25 1.73 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 74.120000000000005 109.292 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . 0.54 ' HG3' ' CZ3' ' A' ' 831' ' ' TRP . 12.2 mmmt -57.7 -173.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 75.239999999999995 109.316 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 816' ' ' GLY . . . . . . . . . . . . . . . -37.82 140.21 0.46 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.475 1.109 . . . . 32.219999999999999 111.018 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 817' ' ' GLN . . . . . 0.49 ' O ' ' CG ' ' A' ' 818' ' ' GLN . 70.7 mt-30 -59.15 166.84 1.96 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 0.75 . . . . 63.409999999999997 110.302 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 818' ' ' GLN . . . . . 0.49 ' CG ' ' O ' ' A' ' 817' ' ' GLN . 11.3 pt20 45.95 25.65 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 71.329999999999998 110.319 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . -113.79 -105.67 2.68 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.525 1.141 . . . . 72.150000000000006 111.004 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 820' ' ' TRP . . . . . 0.542 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.47 172.05 13.22 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.021 -1.103 . . . . 74.140000000000001 108.021 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 821' ' ' TRP . . . . . 0.559 ' CZ3' ' HB2' ' A' ' 834' ' ' SER . 40.4 m0 -131.42 132.54 44.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 75.209999999999994 108.03 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 822' ' ' ARG . . . . . 0.495 ' HG3' ' CE2' ' A' ' 831' ' ' TRP . 27.3 ttt180 -90.36 113.15 24.98 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 75.239999999999995 110.269 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -132.51 -151.54 6.76 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.493 1.121 . . . . 64.150000000000006 111.03 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 824' ' ' GLU . . . . . 0.469 ' HB2' ' CD1' ' A' ' 829' ' ' ILE . 15.6 tt0 -164.23 156.87 17.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 0.736 . . . . 71.040000000000006 110.319 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 825' ' ' ILE . . . . . 0.553 HG23 ' CD2' ' A' ' 826' ' ' TYR . 2.0 mt -152.86 128.19 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 54.210000000000001 109.291 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 826' ' ' TYR . . . . . 0.553 ' CD2' HG23 ' A' ' 825' ' ' ILE . 4.3 m-30 60.73 22.48 12.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 75.329999999999998 110.956 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 89.29 4.94 73.37 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.517 1.136 . . . . 75.340000000000003 111.018 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 65.8 mtt-85 -95.85 119.04 33.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 0.772 . . . . 73.409999999999997 110.311 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 829' ' ' ILE . . . . . 0.469 ' CD1' ' HB2' ' A' ' 824' ' ' GLU . 2.6 mm -92.75 159.2 2.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 74.109999999999999 109.293 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 830' ' ' GLY . . . . . 0.418 ' N ' HD11 ' A' ' 801' ' ' LEU . . . 164.77 -158.7 31.56 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.481 1.113 . . . . 74.030000000000001 110.994 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 831' ' ' TRP . . . . . 0.542 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 52.1 m95 -130.26 174.78 9.5 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.983 -1.117 . . . . 73.329999999999998 107.983 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 832' ' ' PHE . . . . . 0.587 ' CZ ' ' CG2' ' A' ' 809' ' ' ILE . 41.0 p90 -178.33 154.43 0.91 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 75.329999999999998 110.996 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 833' ' ' PRO . . . . . 0.557 ' HG3' ' CZ ' ' A' ' 793' ' ' PHE . 18.5 Cg_endo -74.93 146.19 32.65 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.519 1.8 . . . . 74.540000000000006 111.009 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 834' ' ' SER . . . . . 0.559 ' HB2' ' CZ3' ' A' ' 821' ' ' TRP . 54.3 p -83.75 -8.74 59.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 75.019999999999996 110.028 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . 0.41 ' N ' ' OD1' ' A' ' 835' ' ' ASN . 0.7 OUTLIER -77.88 -13.9 59.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 75.230000000000004 109.326 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 836' ' ' TYR . . . . . 0.412 ' O ' ' CG1' ' A' ' 837' ' ' VAL . 15.9 m-85 -114.68 25.39 11.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 75.129999999999995 111.024 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . 0.468 ' CG2' ' HA ' ' A' ' 834' ' ' SER . 13.9 m -153.95 168.24 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 73.040000000000006 109.28 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 838' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -116.52 171.22 7.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 61.149999999999999 110.27 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 839' ' ' GLU . . . . . 0.547 ' HG3' ' CZ3' ' A' ' 821' ' ' TRP . 3.6 mm-40 -148.18 140.06 23.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 71.150000000000006 110.293 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 33.2 t70 46.23 26.04 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 75.439999999999998 109.282 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 841' ' ' TYR . . . . . 0.406 ' N ' ' C ' ' A' ' 839' ' ' GLU . 16.3 p90 -57.78 -175.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 73.030000000000001 111.002 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 842' ' ' SER . . . . . . . . . . . . . 45.3 p -108.22 175.8 5.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 75.409999999999997 110.003 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -110.95 147.08 35.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 74.519999999999996 110.27 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 844' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -121.1 51.01 1.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 73.329999999999998 110.979 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 845' ' ' LEU . . . . . . . . . . . . . 39.7 mt -43.25 156.16 0.27 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 65.439999999999998 109.309 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 846' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 175.46 11.21 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.46 1.769 . . . . 73.430000000000007 110.983 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -67.45 -15.92 63.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 75.230000000000004 110.279 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 848' ' ' THR . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 73.140000000000001 110.414 179.958 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 785' ' ' GLY . . . . . 0.468 ' O ' HG23 ' A' ' 786' ' ' THR . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.991 -0.844 . . . . 72.340000000000003 110.991 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 786' ' ' THR . . . . . 0.468 HG23 ' O ' ' A' ' 785' ' ' GLY . 6.7 p -153.88 174.45 14.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.757 . . . . 73.0 110.354 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 787' ' ' ALA . . . . . 0.664 ' HB2' HD11 ' A' ' 811' ' ' ILE . . . -140.74 108.52 5.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 64.010000000000005 109.289 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 788' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -75.05 118.35 17.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 44.439999999999998 109.325 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -62.3 142.55 57.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 64.510000000000005 109.378 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 790' ' ' ARG . . . . . 0.439 ' HG3' ' CG ' ' A' ' 838' ' ' GLU . 14.0 mmt85 -116.6 -2.3 11.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 64.140000000000001 110.291 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 791' ' ' TYR . . . . . 0.421 ' CA ' ' HG3' ' A' ' 805' ' ' GLU . 81.4 m-85 -145.25 133.71 21.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 70.439999999999998 110.994 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -67.7 98.14 0.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 61.100000000000001 109.265 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 793' ' ' PHE . . . . . 0.459 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.2 t80 -84.86 173.97 10.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 75.099999999999994 110.964 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 64.6 m -152.36 105.7 3.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 73.430000000000007 108.26 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -68.14 118.53 11.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 53.32 109.305 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -87.18 -12.15 47.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 71.209999999999994 110.291 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -134.67 -172.83 3.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 73.420000000000002 109.3 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.29 -13.54 23.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 61.549999999999997 110.245 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 44.5 p -87.72 -6.46 58.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 61.32 109.948 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -100.4 149.59 23.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 75.310000000000002 110.302 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 801' ' ' LEU . . . . . 0.612 HD23 ' H ' ' A' ' 802' ' ' SER . 0.9 OUTLIER -87.52 137.46 32.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 55.310000000000002 109.296 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 802' ' ' SER . . . . . 0.612 ' H ' HD23 ' A' ' 801' ' ' LEU . 1.5 p -86.8 96.54 10.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 61.420000000000002 109.984 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 803' ' ' LEU . . . . . 0.832 HD11 HG12 ' A' ' 809' ' ' ILE . 0.9 OUTLIER -89.46 159.59 17.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 55.43 109.345 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -162.74 117.37 1.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 61.100000000000001 109.302 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 805' ' ' GLU . . . . . 0.421 ' HG3' ' CA ' ' A' ' 791' ' ' TYR . 5.5 mt-10 -41.95 138.12 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 72.400000000000006 110.274 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 83.67 8.1 85.09 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.538 1.149 . . . . 72.209999999999994 111.008 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -113.85 163.04 15.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 63.119999999999997 109.334 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 808' ' ' ILE . . . . . 0.6 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -113.95 146.06 19.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 74.230000000000004 109.263 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 809' ' ' ILE . . . . . 0.944 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.7 mp -113.74 114.75 47.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 74.200000000000003 109.294 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 810' ' ' LYS . . . . . 0.42 ' HD2' ' N ' ' A' ' 811' ' ' ILE . 13.4 tptt -68.81 114.91 7.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 63.450000000000003 109.343 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 811' ' ' ILE . . . . . 0.664 HD11 ' HB2' ' A' ' 787' ' ' ALA . 3.1 mm -73.7 130.83 35.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 75.519999999999996 109.284 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 812' ' ' LEU . . . . . 0.425 HD21 ' OE1' ' A' ' 824' ' ' GLU . 1.7 mt -121.19 -44.13 2.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 74.25 109.301 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -141.52 152.23 43.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.165 . . . . 75.439999999999998 109.261 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 814' ' ' LYS . . . . . 0.563 ' HG2' ' CD1' ' A' ' 821' ' ' TRP . 19.1 mttp . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 61.25 109.309 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.971 -0.852 . . . . 23.530000000000001 110.971 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 820' ' ' TRP . . . . . 0.516 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.33 172.67 12.37 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.026 -1.101 . . . . 75.349999999999994 108.026 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 821' ' ' TRP . . . . . 0.563 ' CD1' ' HG2' ' A' ' 814' ' ' LYS . 15.6 m0 -128.02 147.29 50.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 72.349999999999994 108.018 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 822' ' ' ARG . . . . . . . . . . . . . 6.6 ttm-85 -97.89 116.05 29.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 65.040000000000006 110.279 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -144.2 -172.26 14.76 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.491 1.119 . . . . 62.340000000000003 111.01 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 824' ' ' GLU . . . . . 0.77 ' HB3' HD13 ' A' ' 829' ' ' ILE . 0.7 OUTLIER -143.41 167.81 21.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.774 . . . . 73.230000000000004 110.258 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 825' ' ' ILE . . . . . 0.454 HD11 ' CD1' ' A' ' 809' ' ' ILE . 2.2 mt -157.39 123.18 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 72.209999999999994 109.282 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 8.3 m-30 57.85 20.9 7.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 74.519999999999996 111.012 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 92.55 13.78 56.47 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.463 1.102 . . . . 73.319999999999993 111.018 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 828' ' ' ARG . . . . . 0.403 ' O ' ' HA ' ' A' ' 824' ' ' GLU . 77.0 mtt180 -104.93 111.71 24.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 0.751 . . . . 73.219999999999999 110.272 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 829' ' ' ILE . . . . . 0.77 HD13 ' HB3' ' A' ' 824' ' ' GLU . 3.4 mm -88.29 155.13 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.11 . . . . 75.129999999999995 109.301 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 169.54 -169.7 42.2 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 30.100000000000001 110.988 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 831' ' ' TRP . . . . . 0.516 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 73.2 m95 -120.89 150.85 40.42 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.018 -1.105 . . . . 73.010000000000005 108.018 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 832' ' ' PHE . . . . . 0.944 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 30.5 p90 -153.81 152.44 26.99 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 64.340000000000003 111.009 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 147.93 34.69 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.465 1.771 . . . . 71.140000000000001 111.026 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 834' ' ' SER . . . . . 0.689 ' HA ' HG22 ' A' ' 837' ' ' VAL . 7.4 t -89.69 3.88 51.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 52.420000000000002 109.996 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -94.28 -13.46 26.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 70.400000000000006 109.278 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -110.52 -2.09 16.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 65.140000000000001 110.978 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 837' ' ' VAL . . . . . 0.819 HG21 ' HE2' ' A' ' 832' ' ' PHE . 13.8 m -125.97 169.61 17.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 60.210000000000001 109.305 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 838' ' ' GLU . . . . . 0.439 ' CG ' ' HG3' ' A' ' 790' ' ' ARG . 6.1 mm-40 -137.23 124.7 22.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 60.210000000000001 110.325 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.37 175.2 5.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 74.310000000000002 110.294 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 32.6 t70 40.55 51.64 2.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 70.129999999999995 109.299 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 841' ' ' TYR . . . . . . . . . . . . . 22.9 p90 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 74.129999999999995 111.015 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 785' ' ' GLY . . . . . 0.549 ' O ' HG23 ' A' ' 786' ' ' THR . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.973 -0.851 . . . . 55.020000000000003 110.973 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 786' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 785' ' ' GLY . 2.3 p -155.66 170.71 21.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 0.742 . . . . 75.519999999999996 110.373 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 787' ' ' ALA . . . . . 0.663 ' HB2' HD11 ' A' ' 811' ' ' ILE . . . -144.92 110.19 5.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 75.349999999999994 109.356 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 788' ' ' LYS . . . . . 0.559 ' HB2' ' CE2' ' A' ' 841' ' ' TYR . 11.9 tttt -73.38 116.12 13.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 52.149999999999999 109.331 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 789' ' ' ALA . . . . . 0.54 ' HB2' ' CD1' ' A' ' 809' ' ' ILE . . . -60.41 133.56 56.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 40.119999999999997 109.27 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 790' ' ' ARG . . . . . 0.459 ' CG ' ' HG3' ' A' ' 838' ' ' GLU . 6.1 mmp_? -107.34 -5.37 17.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 74.319999999999993 110.36 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 791' ' ' TYR . . . . . 0.449 ' CA ' ' HG3' ' A' ' 805' ' ' GLU . 71.7 m-85 -153.42 128.43 9.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.112 . . . . 72.340000000000003 110.99 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.16 108.39 1.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 70.400000000000006 109.28 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 793' ' ' PHE . . . . . 0.447 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.2 t80 -98.82 116.22 30.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 63.219999999999999 110.994 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 4.3 m -82.52 113.51 20.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 74.329999999999998 108.305 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -74.96 105.0 5.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 65.120000000000005 109.308 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -53.39 -22.94 8.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 72.319999999999993 110.315 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -161.12 178.97 8.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 74.209999999999994 109.324 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 54.8 mtp85 -67.43 -10.11 48.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 60.32 110.295 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 57.4 p -74.13 -10.15 59.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 70.219999999999999 110.034 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -120.98 159.91 24.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 55.32 110.257 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 801' ' ' LEU . . . . . 0.62 HD23 ' H ' ' A' ' 802' ' ' SER . 0.9 OUTLIER -94.87 137.62 33.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 70.25 109.296 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 802' ' ' SER . . . . . 0.62 ' H ' HD23 ' A' ' 801' ' ' LEU . 1.0 OUTLIER -83.44 105.82 14.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 65.340000000000003 109.946 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 803' ' ' LEU . . . . . 0.527 HD21 ' HB2' ' A' ' 832' ' ' PHE . 0.9 OUTLIER -98.32 156.01 16.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 65.420000000000002 109.276 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 804' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 805' ' ' GLU . 1.0 OUTLIER -155.95 113.09 3.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 63.340000000000003 109.287 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 805' ' ' GLU . . . . . 0.449 ' HG3' ' CA ' ' A' ' 791' ' ' TYR . 7.1 mt-10 -38.79 133.68 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 72.040000000000006 110.298 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 89.85 -1.82 81.32 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.513 1.133 . . . . 71.430000000000007 110.979 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -102.09 164.49 11.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 0.79 . . . . 71.219999999999999 109.322 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 808' ' ' ILE . . . . . 0.674 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -113.55 145.55 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 52.020000000000003 109.322 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 809' ' ' ILE . . . . . 0.921 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.4 mp -115.86 115.66 49.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 54.140000000000001 109.328 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 810' ' ' LYS . . . . . 0.412 ' HD2' ' N ' ' A' ' 811' ' ' ILE . 5.6 tptm -70.02 114.22 7.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 63.229999999999997 109.281 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 811' ' ' ILE . . . . . 0.663 HD11 ' HB2' ' A' ' 787' ' ' ALA . 12.2 mm -73.95 117.18 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 73.219999999999999 109.315 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 812' ' ' LEU . . . . . . . . . . . . . 1.2 mt -106.94 -53.38 2.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 75.200000000000003 109.295 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -124.71 164.54 19.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 64.319999999999993 109.299 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 814' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 54.329999999999998 109.317 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.041 -0.824 . . . . 62.130000000000003 111.041 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 820' ' ' TRP . . . . . 0.554 ' CE3' ' HB3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.37 172.75 12.27 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.021 -1.103 . . . . 73.239999999999995 108.021 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 821' ' ' TRP . . . . . 0.557 ' CH2' ' OG ' ' A' ' 834' ' ' SER . 41.8 m0 -128.06 144.72 51.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 71.510000000000005 108.008 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 822' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -94.64 103.38 15.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 51.439999999999998 110.32 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 823' ' ' GLY . . . . . 0.486 ' C ' HD11 ' A' ' 801' ' ' LEU . . . -130.09 -174.58 13.74 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.532 1.145 . . . . 73.510000000000005 110.983 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 824' ' ' GLU . . . . . 0.806 ' HB3' HD13 ' A' ' 829' ' ' ILE . 1.6 pt-20 -143.46 168.7 19.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 0.786 . . . . 72.349999999999994 110.31 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 825' ' ' ILE . . . . . 0.454 HD11 ' CD1' ' A' ' 809' ' ' ILE . 2.3 mt -156.37 123.62 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 71.109999999999999 109.318 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 826' ' ' TYR . . . . . 0.445 ' CD1' ' N ' ' A' ' 826' ' ' TYR . 5.4 m-30 58.98 20.2 7.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 75.150000000000006 111.048 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 93.54 11.3 58.33 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.5 1.125 . . . . 71.109999999999999 110.997 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 828' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' A' ' 824' ' ' GLU . 22.2 mtp180 -103.48 113.6 27.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 0.761 . . . . 75.510000000000005 110.26 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 829' ' ' ILE . . . . . 0.806 HD13 ' HB3' ' A' ' 824' ' ' GLU . 3.6 mm -88.04 157.05 3.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 70.030000000000001 109.315 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 171.51 -170.29 43.21 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.473 1.108 . . . . 53.329999999999998 110.991 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 831' ' ' TRP . . . . . 0.554 ' HB3' ' CE3' ' A' ' 820' ' ' TRP . 81.3 m95 -120.83 146.89 46.08 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.056 -1.09 . . . . 73.239999999999995 108.056 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 832' ' ' PHE . . . . . 0.921 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 30.9 p90 -153.57 152.39 27.22 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 72.450000000000003 110.988 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 148.31 35.29 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.46 1.769 . . . . 72.140000000000001 111.008 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 834' ' ' SER . . . . . 0.557 ' OG ' ' CH2' ' A' ' 821' ' ' TRP . 6.4 t -87.49 3.9 45.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 71.239999999999995 110.003 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -99.8 -9.95 22.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 75.129999999999995 109.304 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -107.38 -4.62 18.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 73.329999999999998 111.009 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 837' ' ' VAL . . . . . 0.818 HG21 ' HE2' ' A' ' 832' ' ' PHE . 15.6 m -119.28 178.74 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 74.319999999999993 109.329 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 838' ' ' GLU . . . . . 0.459 ' HG3' ' CG ' ' A' ' 790' ' ' ARG . 7.3 mt-10 -111.72 173.17 6.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 75.329999999999998 110.302 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 839' ' ' GLU . . . . . 0.434 ' C ' ' N ' ' A' ' 841' ' ' TYR . 11.1 mp0 -149.79 131.66 15.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 72.109999999999999 110.293 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 30.6 t70 40.61 29.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 64.219999999999999 109.286 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 841' ' ' TYR . . . . . 0.559 ' CE2' ' HB2' ' A' ' 788' ' ' LYS . 21.1 p90 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 65.420000000000002 111.05 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.032 -0.827 . . . . 52.030000000000001 111.032 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 4.7 p -148.76 175.74 10.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 70.219999999999999 110.405 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 787' ' ' ALA . . . . . 0.474 ' HB2' HD11 ' A' ' 811' ' ' ILE . . . -143.7 110.34 5.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 54.409999999999997 109.264 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 788' ' ' LYS . . . . . 0.557 ' HB2' ' CE2' ' A' ' 841' ' ' TYR . 10.4 tttt -74.79 115.74 14.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 63.240000000000002 109.275 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -53.92 135.62 42.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 64.049999999999997 109.269 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 790' ' ' ARG . . . . . 0.467 ' CG ' ' HG3' ' A' ' 838' ' ' GLU . 17.3 mmt180 -108.4 -5.79 16.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 64.5 110.31 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 791' ' ' TYR . . . . . 0.436 ' CA ' ' HG3' ' A' ' 805' ' ' GLU . 95.0 m-85 -144.86 135.68 24.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 74.329999999999998 110.953 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -68.5 96.71 0.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 75.340000000000003 109.278 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 793' ' ' PHE . . . . . 0.441 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.1 t80 -84.07 174.78 10.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 63.100000000000001 110.99 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 34.9 t -152.28 109.29 3.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 71.099999999999994 108.274 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -75.01 137.41 41.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 53.119999999999997 109.323 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 796' ' ' ARG . . . . . 0.421 ' HD3' ' N ' ' A' ' 797' ' ' ASP . 0.0 OUTLIER -117.28 -9.38 10.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 73.409999999999997 110.299 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 797' ' ' ASP . . . . . 0.421 ' N ' ' HD3' ' A' ' 796' ' ' ARG . 15.6 t0 -143.88 166.8 23.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 73.430000000000007 109.26 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 17.2 mmt85 -73.79 -8.02 54.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 54.549999999999997 110.27 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 84.9 p -92.36 12.33 22.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 34.310000000000002 109.958 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -129.97 151.78 50.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 74.109999999999999 110.249 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 801' ' ' LEU . . . . . 0.615 HD23 ' H ' ' A' ' 802' ' ' SER . 0.9 OUTLIER -100.6 137.56 38.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 73.129999999999995 109.31 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 802' ' ' SER . . . . . 0.615 ' H ' HD23 ' A' ' 801' ' ' LEU . 0.6 OUTLIER -78.15 104.87 9.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 73.409999999999997 110.004 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 803' ' ' LEU . . . . . 0.862 HD11 HG12 ' A' ' 809' ' ' ILE . 1.2 mp -102.97 150.14 23.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 71.340000000000003 109.281 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -155.69 117.44 4.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 71.200000000000003 109.342 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 805' ' ' GLU . . . . . 0.436 ' HG3' ' CA ' ' A' ' 791' ' ' TYR . 9.8 mt-10 -39.16 134.42 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 61.140000000000001 110.274 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 88.87 -0.16 82.0 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.516 1.135 . . . . 75.230000000000004 110.986 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 807' ' ' ASP . . . . . 0.403 ' O ' ' HA ' ' A' ' 788' ' ' LYS . 2.3 m-20 -103.39 158.34 16.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.77 . . . . 73.340000000000003 109.298 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 808' ' ' ILE . . . . . 0.712 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -108.42 141.27 24.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 71.430000000000007 109.318 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 809' ' ' ILE . . . . . 0.949 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.6 mp -112.15 115.4 49.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 75.430000000000007 109.308 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 810' ' ' LYS . . . . . 0.441 ' HG3' HD21 ' A' ' 812' ' ' LEU . 5.9 tptm -71.59 114.23 9.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 74.150000000000006 109.273 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 811' ' ' ILE . . . . . 0.474 HD11 ' HB2' ' A' ' 787' ' ' ALA . 19.3 mm -76.61 128.58 37.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 72.120000000000005 109.342 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 812' ' ' LEU . . . . . 0.441 HD21 ' HG3' ' A' ' 810' ' ' LYS . 0.8 OUTLIER -119.31 -41.29 2.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 71.040000000000006 109.335 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -137.5 149.65 46.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 64.519999999999996 109.312 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 814' ' ' LYS . . . . . 0.519 ' HA ' ' CD1' ' A' ' 821' ' ' TRP . 19.3 mttm . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 74.420000000000002 109.286 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 110.964 -0.854 . . . . 54.039999999999999 110.964 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 820' ' ' TRP . . . . . 0.715 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.31 172.8 12.2 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.992 -1.114 . . . . 75.209999999999994 107.992 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 821' ' ' TRP . . . . . 0.586 ' CH2' ' OE1' ' A' ' 839' ' ' GLU . 21.9 m0 -129.9 138.4 50.9 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.989 -1.115 . . . . 64.230000000000004 107.989 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 822' ' ' ARG . . . . . 0.428 ' HG3' ' CE2' ' A' ' 831' ' ' TRP . 3.9 ttt180 -87.28 117.32 25.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 63.5 110.268 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 823' ' ' GLY . . . . . 0.529 ' C ' HD11 ' A' ' 801' ' ' LEU . . . -139.95 -166.99 10.85 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.528 1.142 . . . . 50.350000000000001 111.027 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 824' ' ' GLU . . . . . 0.91 ' HB2' HD13 ' A' ' 829' ' ' ILE . 19.2 tt0 -155.9 156.79 35.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 0.776 . . . . 74.450000000000003 110.33 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 825' ' ' ILE . . . . . 0.576 HG23 ' CE1' ' A' ' 826' ' ' TYR . 2.7 mt -147.35 126.34 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.122 . . . . 63.039999999999999 109.312 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 826' ' ' TYR . . . . . 0.581 ' HD2' HH21 ' A' ' 828' ' ' ARG . 3.2 m-30 60.03 21.82 10.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 72.420000000000002 110.993 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 90.54 8.46 65.82 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.501 1.126 . . . . 33.210000000000001 111.021 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 828' ' ' ARG . . . . . 0.581 HH21 ' HD2' ' A' ' 826' ' ' TYR . 62.1 mtm180 -99.52 115.08 28.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 0.78 . . . . 75.450000000000003 110.262 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 829' ' ' ILE . . . . . 0.91 HD13 ' HB2' ' A' ' 824' ' ' GLU . 2.7 mm -87.4 155.91 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 70.140000000000001 109.264 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 173.14 -165.55 37.79 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.537 1.148 . . . . 52.420000000000002 111.062 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 831' ' ' TRP . . . . . 0.715 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 57.1 m95 -128.58 151.8 49.05 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.989 -1.115 . . . . 74.439999999999998 107.989 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 832' ' ' PHE . . . . . 0.949 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 30.5 p90 -156.51 153.43 24.84 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.434 1.084 . . . . 72.010000000000005 111.016 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 148.24 34.83 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.478 1.778 . . . . 72.530000000000001 111.003 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 834' ' ' SER . . . . . 0.641 ' HA ' HG22 ' A' ' 837' ' ' VAL . 48.5 p -88.74 3.97 49.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 52.25 109.971 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -97.47 -12.15 22.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.108 . . . . 70.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -109.75 -3.33 16.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 73.099999999999994 110.972 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 837' ' ' VAL . . . . . 0.825 HG21 ' HE2' ' A' ' 832' ' ' PHE . 16.5 m -121.78 171.29 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 74.129999999999995 109.315 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 838' ' ' GLU . . . . . 0.467 ' HG3' ' CG ' ' A' ' 790' ' ' ARG . 5.5 mt-10 -114.31 178.82 4.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 75.319999999999993 110.347 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 839' ' ' GLU . . . . . 0.586 ' OE1' ' CH2' ' A' ' 821' ' ' TRP . 5.1 mt-10 -158.41 140.3 13.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 72.319999999999993 110.327 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 840' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 839' ' ' GLU . 26.5 t0 40.47 29.92 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 71.140000000000001 109.28 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 841' ' ' TYR . . . . . 0.557 ' CE2' ' HB2' ' A' ' 788' ' ' LYS . 21.6 p90 . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.517 1.135 . . . . 71.420000000000002 110.963 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 785' ' ' GLY . . . . . 0.609 ' O ' HG23 ' A' ' 786' ' ' THR . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.947 -0.861 . . . . 65.299999999999997 110.947 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 786' ' ' THR . . . . . 0.609 HG23 ' O ' ' A' ' 785' ' ' GLY . 2.3 p -157.69 179.48 9.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.766 . . . . 73.040000000000006 110.364 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -142.24 108.43 5.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 63.32 109.309 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 788' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 838' ' ' GLU . 10.9 tttt -74.29 115.48 13.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 63.520000000000003 109.317 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 789' ' ' ALA . . . . . 0.513 ' HB2' ' CD1' ' A' ' 809' ' ' ILE . . . -60.88 137.69 58.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 64.409999999999997 109.259 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 790' ' ' ARG . . . . . 0.404 ' HA ' ' NE ' ' A' ' 790' ' ' ARG . 6.4 mmp_? -111.89 -5.6 14.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 75.450000000000003 110.309 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 791' ' ' TYR . . . . . 0.439 ' CA ' ' HG3' ' A' ' 805' ' ' GLU . 96.9 m-85 -150.51 128.18 11.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 64.340000000000003 111.001 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.9 112.32 3.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 72.010000000000005 109.284 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 793' ' ' PHE . . . . . 0.462 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.1 t80 -102.95 114.78 29.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 73.340000000000003 111.001 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 17.6 t -82.39 123.21 28.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 72.209999999999994 108.294 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -86.48 140.55 29.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 53.149999999999999 109.28 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 796' ' ' ARG . . . . . 0.487 ' CZ ' ' CG ' ' A' ' 797' ' ' ASP . 0.0 OUTLIER -118.05 -7.28 10.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 72.129999999999995 110.32 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 797' ' ' ASP . . . . . 0.487 ' CG ' ' CZ ' ' A' ' 796' ' ' ARG . 0.9 OUTLIER -147.15 165.25 30.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 75.219999999999999 109.315 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -70.4 -10.14 58.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 75.349999999999994 110.277 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 7.5 p -84.79 -17.04 39.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 64.329999999999998 109.973 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -99.59 150.09 22.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 73.409999999999997 110.322 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 801' ' ' LEU . . . . . 0.644 HD23 ' H ' ' A' ' 802' ' ' SER . 0.8 OUTLIER -103.32 139.77 38.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 70.329999999999998 109.28 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 802' ' ' SER . . . . . 0.644 ' H ' HD23 ' A' ' 801' ' ' LEU . 4.7 t -83.07 111.24 18.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 50.299999999999997 110.013 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 803' ' ' LEU . . . . . 0.462 ' HB2' ' CB ' ' A' ' 793' ' ' PHE . 0.7 OUTLIER -103.93 161.31 14.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 71.340000000000003 109.31 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -159.03 111.76 2.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 70.120000000000005 109.281 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 805' ' ' GLU . . . . . 0.439 ' HG3' ' CA ' ' A' ' 791' ' ' TYR . 5.9 mt-10 -38.94 136.32 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 72.140000000000001 110.32 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 86.27 4.83 83.43 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.459 1.099 . . . . 71.329999999999998 110.986 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -106.04 164.54 11.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 0.8 . . . . 52.229999999999997 109.339 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 808' ' ' ILE . . . . . 0.772 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -113.06 144.13 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 64.409999999999997 109.278 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 809' ' ' ILE . . . . . 0.918 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.5 mp -117.79 116.11 50.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 62.009999999999998 109.344 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 810' ' ' LYS . . . . . 0.418 ' HD2' ' N ' ' A' ' 811' ' ' ILE . 5.7 tptm -74.91 114.17 13.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 62.310000000000002 109.28 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 811' ' ' ILE . . . . . 0.418 ' N ' ' HD2' ' A' ' 810' ' ' LYS . 2.9 mm -70.77 128.28 33.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 52.340000000000003 109.271 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 812' ' ' LEU . . . . . . . . . . . . . 1.1 mt -121.47 -50.5 2.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 74.540000000000006 109.316 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 813' ' ' ASN . . . . . 0.461 ' CB ' ' HB3' ' A' ' 822' ' ' ARG . 2.6 t30 -129.02 88.2 2.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 74.540000000000006 109.281 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 814' ' ' LYS . . . . . 0.42 ' HG3' ' NE1' ' A' ' 821' ' ' TRP . 2.1 ttpm? . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 61.25 109.294 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.968 -0.853 . . . . 30.420000000000002 110.968 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 820' ' ' TRP . . . . . 0.739 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.4 OUTLIER -142.32 171.85 13.5 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.003 -1.11 . . . . 62.229999999999997 108.003 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 821' ' ' TRP . . . . . 0.588 ' O ' ' CE1' ' A' ' 832' ' ' PHE . 43.0 m0 -126.96 134.16 50.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 75.120000000000005 108.007 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 822' ' ' ARG . . . . . 0.461 ' HB3' ' CB ' ' A' ' 813' ' ' ASN . 5.4 ttm180 -88.44 102.96 15.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 63.439999999999998 110.291 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -127.43 -169.92 12.76 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.517 1.136 . . . . 72.049999999999997 110.973 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 824' ' ' GLU . . . . . 0.932 ' HB2' HD13 ' A' ' 829' ' ' ILE . 0.7 OUTLIER -151.49 149.69 29.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 0.792 . . . . 75.409999999999997 110.237 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 825' ' ' ILE . . . . . 0.472 HD11 ' CD1' ' A' ' 809' ' ' ILE . 3.2 mt -139.21 127.73 28.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 64.430000000000007 109.284 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 826' ' ' TYR . . . . . 0.469 ' CD1' ' N ' ' A' ' 826' ' ' TYR . 5.2 m-30 58.64 26.87 15.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 74.439999999999998 111.052 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 84.96 9.62 80.33 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.497 1.123 . . . . 61.520000000000003 111.005 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 828' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' A' ' 824' ' ' GLU . 56.6 mtt-85 -100.68 116.59 32.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 0.796 . . . . 74.319999999999993 110.319 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 829' ' ' ILE . . . . . 0.932 HD13 ' HB2' ' A' ' 824' ' ' GLU . 2.7 mm -87.37 160.55 2.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.464 1.103 . . . . 72.5 109.284 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 830' ' ' GLY . . . . . 0.416 ' N ' HG22 ' A' ' 829' ' ' ILE . . . 165.22 -176.32 40.91 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.526 1.141 . . . . 62.200000000000003 111.018 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 831' ' ' TRP . . . . . 0.739 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 64.6 m95 -117.55 148.9 41.46 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.029 -1.101 . . . . 74.200000000000003 108.029 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 832' ' ' PHE . . . . . 0.918 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 38.8 p90 -152.94 152.06 27.5 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 71.530000000000001 110.95 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 147.68 34.27 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.53 1.805 . . . . 64.420000000000002 110.978 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 834' ' ' SER . . . . . 0.561 ' HB2' ' CH2' ' A' ' 821' ' ' TRP . 88.4 p -89.07 3.9 50.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 71.510000000000005 110.01 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 54.8 m-20 -95.55 -10.84 28.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 72.420000000000002 109.287 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -108.87 -7.3 15.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 74.129999999999995 110.998 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 837' ' ' VAL . . . . . 0.827 HG21 ' HE2' ' A' ' 832' ' ' PHE . 30.8 m -118.69 176.98 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 74.329999999999998 109.284 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 838' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 788' ' ' LYS . 75.6 mt-10 -147.61 125.6 12.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 75.439999999999998 110.324 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -118.26 178.17 4.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 73.239999999999995 110.341 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 25.9 t0 44.64 40.3 3.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 71.340000000000003 109.275 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 841' ' ' TYR . . . . . . . . . . . . . 28.9 p90 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 73.230000000000004 110.986 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 785' ' ' GLY . . . . . 0.66 ' O ' HG23 ' A' ' 786' ' ' THR . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.98 -0.848 . . . . 50.450000000000003 110.98 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 786' ' ' THR . . . . . 0.66 HG23 ' O ' ' A' ' 785' ' ' GLY . 2.3 p -158.72 170.07 22.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.76 . . . . 74.540000000000006 110.385 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 787' ' ' ALA . . . . . 0.688 ' CB ' HD11 ' A' ' 811' ' ' ILE . . . -147.63 107.39 3.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 51.140000000000001 109.283 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 788' ' ' LYS . . . . . 0.478 ' HB2' ' CZ ' ' A' ' 841' ' ' TYR . 36.9 tttt -65.55 132.45 48.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 72.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 789' ' ' ALA . . . . . 0.499 ' HB2' ' CD1' ' A' ' 809' ' ' ILE . . . -77.73 128.98 34.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 73.400000000000006 109.299 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 790' ' ' ARG . . . . . 0.46 ' C ' ' CD1' ' A' ' 791' ' ' TYR . 21.9 mmm180 -99.25 -3.79 33.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 54.25 110.284 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 791' ' ' TYR . . . . . 0.46 ' CD1' ' C ' ' A' ' 790' ' ' ARG . 41.0 m-85 -157.01 128.66 7.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 72.239999999999995 110.993 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.24 118.14 9.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 75.209999999999994 109.295 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 793' ' ' PHE . . . . . 0.464 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.2 t80 -105.74 128.34 53.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 74.430000000000007 111.015 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 55.8 m -92.08 105.06 17.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 44.100000000000001 108.28 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -66.73 111.13 3.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 63.329999999999998 109.281 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.53 -20.57 65.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 71.400000000000006 110.324 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -162.28 -177.82 5.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 73.329999999999998 109.296 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 46.4 mtt-85 -67.51 -11.47 58.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 63.530000000000001 110.307 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 26.4 p -73.12 -10.95 60.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 70.400000000000006 109.964 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -124.55 160.51 28.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 74.5 110.27 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 801' ' ' LEU . . . . . 0.642 HD23 ' H ' ' A' ' 802' ' ' SER . 0.8 OUTLIER -102.6 140.1 37.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 71.409999999999997 109.358 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 802' ' ' SER . . . . . 0.642 ' H ' HD23 ' A' ' 801' ' ' LEU . 9.8 m -78.61 99.5 6.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 64.329999999999998 110.006 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 803' ' ' LEU . . . . . 0.511 HD11 HG12 ' A' ' 809' ' ' ILE . 1.5 mp -90.45 157.45 17.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 72.239999999999995 109.295 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 2.0 tmtm? -157.07 110.51 2.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 74.150000000000006 109.321 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 805' ' ' GLU . . . . . 0.403 ' HG3' ' CA ' ' A' ' 791' ' ' TYR . 6.3 mt-10 -38.95 134.12 1.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 74.329999999999998 110.292 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 91.53 -7.56 79.79 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 63.310000000000002 111.03 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -97.2 165.42 12.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 64.040000000000006 109.331 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 808' ' ' ILE . . . . . 0.754 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -115.46 137.09 50.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 52.549999999999997 109.331 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 809' ' ' ILE . . . . . 0.904 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.3 mp -107.0 114.99 47.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 73.439999999999998 109.334 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 810' ' ' LYS . . . . . 0.406 ' HD2' ' N ' ' A' ' 811' ' ' ILE . 5.7 tptm -69.02 113.77 6.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 75.519999999999996 109.256 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 811' ' ' ILE . . . . . 0.688 HD11 ' CB ' ' A' ' 787' ' ' ALA . 12.1 mm -74.95 119.82 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 72.409999999999997 109.278 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 812' ' ' LEU . . . . . . . . . . . . . 1.2 mt -110.16 -51.9 2.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 61.409999999999997 109.3 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -122.32 164.57 17.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 74.230000000000004 109.302 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 814' ' ' LYS . . . . . 0.603 ' HA ' ' CD1' ' A' ' 821' ' ' TRP . 2.9 mtmp? . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 60.25 109.282 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.003 -0.839 . . . . 42.030000000000001 111.003 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 820' ' ' TRP . . . . . 0.739 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.36 172.49 12.62 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.013 -1.106 . . . . 73.400000000000006 108.013 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 821' ' ' TRP . . . . . 0.603 ' CD1' ' HA ' ' A' ' 814' ' ' LYS . 20.4 m0 -129.5 138.36 51.33 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.985 -1.117 . . . . 71.200000000000003 107.985 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 822' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -86.72 126.69 34.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 55.030000000000001 110.301 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -145.27 -159.56 8.17 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.488 1.118 . . . . 61.229999999999997 110.965 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 824' ' ' GLU . . . . . 0.902 ' HB2' HD13 ' A' ' 829' ' ' ILE . 0.6 OUTLIER -168.11 148.83 4.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 0.756 . . . . 55.299999999999997 110.312 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 825' ' ' ILE . . . . . 0.557 HG23 ' CE1' ' A' ' 826' ' ' TYR . 2.8 mt -138.07 125.55 29.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 70.510000000000005 109.259 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 826' ' ' TYR . . . . . 0.557 ' CE1' HG23 ' A' ' 825' ' ' ILE . 3.3 m-30 61.18 19.14 9.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 72.129999999999995 111.033 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 98.06 -8.92 63.31 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.505 1.128 . . . . 55.109999999999999 111.014 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 828' ' ' ARG . . . . . 0.414 ' O ' ' HA ' ' A' ' 824' ' ' GLU . 3.5 mpt_? -82.02 116.65 21.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 0.766 . . . . 72.230000000000004 110.246 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 829' ' ' ILE . . . . . 0.902 HD13 ' HB2' ' A' ' 824' ' ' GLU . 3.1 mm -87.5 156.45 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 74.019999999999996 109.3 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 174.76 -164.98 36.02 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.453 1.096 . . . . 74.140000000000001 111.028 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 831' ' ' TRP . . . . . 0.739 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 44.6 m95 -131.69 169.8 15.68 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.99 -1.115 . . . . 74.099999999999994 107.99 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 832' ' ' PHE . . . . . 0.904 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 31.6 p90 -175.79 152.66 1.32 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 64.310000000000002 111.022 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 146.75 32.98 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.493 1.786 . . . . 51.329999999999998 111.023 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 834' ' ' SER . . . . . 0.446 ' HA ' HG22 ' A' ' 837' ' ' VAL . 18.8 p -81.69 3.92 23.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 75.340000000000003 109.996 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 21.2 m-20 -97.56 -8.8 28.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 71.040000000000006 109.33 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -109.39 -10.17 14.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 74.530000000000001 110.997 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 837' ' ' VAL . . . . . 0.804 HG21 ' HE2' ' A' ' 832' ' ' PHE . 30.4 m -117.78 170.58 7.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 70.010000000000005 109.31 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 838' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 788' ' ' LYS . 78.9 mt-10 -144.85 124.91 13.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 64.409999999999997 110.314 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 839' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 840' ' ' ASP . 0.0 OUTLIER -113.75 172.99 6.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 73.329999999999998 110.314 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 840' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 839' ' ' GLU . 25.4 t0 40.48 42.09 1.23 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 71.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 841' ' ' TYR . . . . . 0.478 ' CZ ' ' HB2' ' A' ' 788' ' ' LYS . 39.0 p90 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 75.420000000000002 111.013 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.996 -0.842 . . . . 33.5 110.996 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 5.5 p -151.48 174.58 13.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 0.772 . . . . 63.520000000000003 110.425 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 787' ' ' ALA . . . . . 0.596 ' HB2' HD11 ' A' ' 811' ' ' ILE . . . -140.57 107.88 5.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 61.409999999999997 109.3 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 788' ' ' LYS . . . . . 0.4 ' HB2' ' CE2' ' A' ' 841' ' ' TYR . 11.8 tttt -74.34 115.58 14.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 74.140000000000001 109.298 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -60.72 132.12 52.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.095 . . . . 34.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 790' ' ' ARG . . . . . 0.468 ' C ' ' CG ' ' A' ' 791' ' ' TYR . 51.3 mmm-85 -104.58 -5.2 21.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 71.219999999999999 110.308 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 791' ' ' TYR . . . . . 0.468 ' CG ' ' C ' ' A' ' 790' ' ' ARG . 37.3 m-85 -158.09 128.81 6.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 74.129999999999995 110.993 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 7.0 p30 -58.94 124.88 21.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 70.150000000000006 109.302 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 793' ' ' PHE . . . . . 0.554 ' CE2' ' CD ' ' A' ' 800' ' ' GLU . 1.1 t80 -113.69 115.11 27.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 75.530000000000001 110.962 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 60.6 m -84.13 109.86 18.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 72.129999999999995 108.28 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -64.25 98.26 0.22 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 54.130000000000003 109.299 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -63.28 -27.84 69.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 71.209999999999994 110.294 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -135.8 174.74 10.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 62.340000000000003 109.284 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -77.93 -5.04 49.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 73.019999999999996 110.295 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 45.6 p -87.47 -8.87 55.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 70.319999999999993 109.956 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 800' ' ' GLU . . . . . 0.554 ' CD ' ' CE2' ' A' ' 793' ' ' PHE . 32.8 tt0 -105.25 160.49 15.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 74.519999999999996 110.317 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 801' ' ' LEU . . . . . 0.623 HD23 ' H ' ' A' ' 802' ' ' SER . 0.9 OUTLIER -104.17 138.62 40.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 45.329999999999998 109.273 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 802' ' ' SER . . . . . 0.623 ' H ' HD23 ' A' ' 801' ' ' LEU . 1.3 t -79.69 108.33 13.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.092 . . . . 74.510000000000005 110.018 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 803' ' ' LEU . . . . . 0.444 ' HB2' ' CB ' ' A' ' 793' ' ' PHE . 0.5 OUTLIER -100.34 159.46 15.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 43.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -155.03 112.2 3.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 72.420000000000002 109.308 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -38.86 137.29 0.67 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 75.349999999999994 110.304 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 84.54 7.43 84.56 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.119 . . . . 73.140000000000001 111.008 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -109.85 161.08 15.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.765 . . . . 74.230000000000004 109.306 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 808' ' ' ILE . . . . . 0.618 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -112.25 142.55 24.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 61.229999999999997 109.307 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 809' ' ' ILE . . . . . 0.944 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.8 mp -111.12 114.54 47.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 74.310000000000002 109.298 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 810' ' ' LYS . . . . . 0.418 ' HD2' ' N ' ' A' ' 811' ' ' ILE . 17.4 tptt -69.7 114.13 7.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 54.109999999999999 109.305 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 811' ' ' ILE . . . . . 0.596 HD11 ' HB2' ' A' ' 787' ' ' ALA . 14.3 mm -74.7 126.85 36.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 64.109999999999999 109.305 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 812' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -117.63 -40.14 3.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 72.439999999999998 109.274 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -137.65 145.35 42.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 54.350000000000001 109.287 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 814' ' ' LYS . . . . . 0.45 ' HG2' ' CD1' ' A' ' 821' ' ' TRP . 14.9 mtmm . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 74.109999999999999 109.291 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.991 -0.843 . . . . 40.439999999999998 110.991 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 820' ' ' TRP . . . . . 0.467 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.34 172.9 12.06 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.981 -1.118 . . . . 75.420000000000002 107.981 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 821' ' ' TRP . . . . . 0.454 ' CZ3' ' HG3' ' A' ' 839' ' ' GLU . 7.9 m0 -133.01 147.43 52.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 74.340000000000003 107.977 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 822' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -88.94 153.98 20.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 75.540000000000006 110.319 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 178.49 -170.0 41.84 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.525 1.141 . . . . 73.239999999999995 111.007 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 824' ' ' GLU . . . . . 0.943 ' HB2' HD13 ' A' ' 829' ' ' ILE . 20.3 tt0 -153.66 159.26 42.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 0.778 . . . . 65.5 110.305 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 825' ' ' ILE . . . . . 0.499 ' N ' ' CG ' ' A' ' 824' ' ' GLU . 2.9 mt -151.74 134.65 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 71.430000000000007 109.286 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 826' ' ' TYR . . . . . 0.429 ' CD1' ' N ' ' A' ' 826' ' ' TYR . 10.1 m-30 55.79 17.27 2.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 70.019999999999996 111.028 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 90.4 22.3 35.01 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.129 . . . . 74.200000000000003 110.975 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 828' ' ' ARG . . . . . 0.421 ' N ' ' HG3' ' A' ' 824' ' ' GLU . 15.8 mmt-85 -114.74 116.95 29.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 0.776 . . . . 72.420000000000002 110.272 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 829' ' ' ILE . . . . . 0.943 HD13 ' HB2' ' A' ' 824' ' ' GLU . 2.8 mm -87.28 152.91 3.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 75.239999999999995 109.311 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 171.95 -165.59 38.37 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.48 1.113 . . . . 21.510000000000002 111.015 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 831' ' ' TRP . . . . . 0.467 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 55.6 m95 -125.84 165.66 18.28 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.007 -1.108 . . . . 72.109999999999999 108.007 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 832' ' ' PHE . . . . . 0.944 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 34.2 p90 -166.64 154.2 8.92 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 75.200000000000003 110.98 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 148.36 35.14 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.499 1.789 . . . . 72.510000000000005 111.017 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 834' ' ' SER . . . . . 0.689 ' HA ' HG22 ' A' ' 837' ' ' VAL . 19.6 p -88.55 3.91 48.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 62.149999999999999 109.984 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -95.45 -13.39 24.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 74.450000000000003 109.323 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -110.07 -8.13 14.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 75.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 837' ' ' VAL . . . . . 0.689 HG22 ' HA ' ' A' ' 834' ' ' SER . 23.2 m -117.43 168.2 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 52.310000000000002 109.267 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 838' ' ' GLU . . . . . 0.464 ' HG3' ' CG ' ' A' ' 790' ' ' ARG . 5.3 mt-10 -110.79 172.87 6.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 65.150000000000006 110.271 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 839' ' ' GLU . . . . . 0.454 ' HG3' ' CZ3' ' A' ' 821' ' ' TRP . 13.1 mm-40 -153.41 139.67 18.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 71.329999999999998 110.283 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 21.0 t70 40.44 29.96 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 60.210000000000001 109.355 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 841' ' ' TYR . . . . . 0.433 ' N ' ' C ' ' A' ' 839' ' ' GLU . 19.2 p90 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 73.540000000000006 111.037 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.988 -0.845 . . . . 54.329999999999998 110.988 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 2.8 p -147.92 166.04 28.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 0.754 . . . . 61.030000000000001 110.405 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 787' ' ' ALA . . . . . 0.509 ' HB1' ' O ' ' A' ' 838' ' ' GLU . . . -144.86 120.89 10.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 72.129999999999995 109.348 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 788' ' ' LYS . . . . . . . . . . . . . 17.5 mtpt -75.32 156.92 35.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 75.150000000000006 109.314 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -95.07 126.77 40.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 65.209999999999994 109.287 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 790' ' ' ARG . . . . . 0.519 ' C ' ' CD1' ' A' ' 791' ' ' TYR . 5.4 mmm180 -105.17 3.08 29.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 75.349999999999994 110.287 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 791' ' ' TYR . . . . . 0.519 ' CD1' ' C ' ' A' ' 790' ' ' ARG . 55.6 m-85 -153.44 130.53 11.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 73.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -67.48 96.74 0.53 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 62.140000000000001 109.284 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 793' ' ' PHE . . . . . 0.455 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.1 t80 -84.54 176.15 8.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 75.010000000000005 111.038 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 4.4 p -152.24 105.61 3.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 54.200000000000003 108.285 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -69.22 130.79 43.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 65.239999999999995 109.285 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -101.8 -19.5 15.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.147 . . . . 73.049999999999997 110.293 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -143.3 172.92 12.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 73.430000000000007 109.295 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -73.08 -11.69 60.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 64.049999999999997 110.293 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 74.9 p -84.91 8.65 16.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 55.530000000000001 109.978 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -131.56 150.31 52.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 65.310000000000002 110.293 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 801' ' ' LEU . . . . . 0.657 HD23 ' H ' ' A' ' 802' ' ' SER . 0.7 OUTLIER -96.06 141.27 29.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 63.049999999999997 109.306 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 802' ' ' SER . . . . . 0.657 ' H ' HD23 ' A' ' 801' ' ' LEU . 1.8 m -82.21 95.4 7.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 74.230000000000004 110.038 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 803' ' ' LEU . . . . . 0.812 HD11 HG12 ' A' ' 809' ' ' ILE . 1.3 mp -88.69 153.01 21.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 64.230000000000004 109.315 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 13.4 tptp -160.28 116.32 2.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 72.519999999999996 109.314 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 805' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 791' ' ' TYR . 4.8 mt-10 -39.98 137.25 0.99 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 74.430000000000007 110.302 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 84.3 7.13 85.4 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 70.530000000000001 111.051 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -113.52 158.68 20.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 74.230000000000004 109.284 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 808' ' ' ILE . . . . . 0.776 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -108.5 151.47 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 73.329999999999998 109.309 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 809' ' ' ILE . . . . . 0.812 HG12 HD11 ' A' ' 803' ' ' LEU . 1.3 mp -121.83 116.14 48.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 71.319999999999993 109.283 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 810' ' ' LYS . . . . . . . . . . . . . 8.0 tptm -73.8 112.7 10.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 72.150000000000006 109.279 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 811' ' ' ILE . . . . . 1.017 HG21 ' NZ ' ' A' ' 814' ' ' LYS . 14.7 mm -70.34 122.6 22.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 72.409999999999997 109.328 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 812' ' ' LEU . . . . . . . . . . . . . 2.0 mt -116.04 -46.15 2.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 62.310000000000002 109.348 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -122.28 151.19 41.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 73.200000000000003 109.322 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 814' ' ' LYS . . . . . 1.017 ' NZ ' HG21 ' A' ' 811' ' ' ILE . 2.8 tppt? . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 74.439999999999998 109.342 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.973 -0.851 . . . . 73.409999999999997 110.973 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 820' ' ' TRP . . . . . 0.456 ' CZ3' ' CG ' ' A' ' 831' ' ' TRP . 1.1 p-90 -142.42 118.49 10.68 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.995 -1.113 . . . . 71.129999999999995 107.995 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 821' ' ' TRP . . . . . 0.537 ' CD1' ' HG3' ' A' ' 814' ' ' LYS . 15.4 m0 -91.97 164.66 13.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 72.219999999999999 108.023 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 822' ' ' ARG . . . . . 0.568 ' HG3' ' CD1' ' A' ' 831' ' ' TRP . 30.3 ttt180 -121.56 121.79 38.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 75.219999999999999 110.304 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -133.97 -149.98 6.13 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.549 1.156 . . . . 71.329999999999998 111.012 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 824' ' ' GLU . . . . . 0.927 ' HB2' HD13 ' A' ' 829' ' ' ILE . 18.9 tt0 -163.99 153.44 14.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 0.789 . . . . 75.409999999999997 110.287 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 825' ' ' ILE . . . . . 0.653 HD11 ' O ' ' A' ' 808' ' ' ILE . 2.3 mt -145.27 124.45 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 74.329999999999998 109.283 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 826' ' ' TYR . . . . . 0.569 ' CE1' HG23 ' A' ' 825' ' ' ILE . 2.8 m-30 60.25 25.77 15.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 75.409999999999997 110.966 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 91.07 -5.41 81.66 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.529 1.143 . . . . 61.420000000000002 110.982 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 -85.28 114.37 22.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 0.774 . . . . 75.439999999999998 110.33 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 829' ' ' ILE . . . . . 0.927 HD13 ' HB2' ' A' ' 824' ' ' GLU . 3.1 mm -87.45 156.04 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 61.32 109.293 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 167.91 -165.98 39.1 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.464 1.102 . . . . 71.099999999999994 110.987 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 831' ' ' TRP . . . . . 0.568 ' CD1' ' HG3' ' A' ' 822' ' ' ARG . 21.8 m95 -128.31 -177.88 4.33 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.98 -1.118 . . . . 74.25 107.98 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 832' ' ' PHE . . . . . 0.81 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 29.4 p90 -178.34 154.88 0.93 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 70.120000000000005 111.011 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 833' ' ' PRO . . . . . 0.504 ' HG2' ' CG ' ' A' ' 836' ' ' TYR . 18.2 Cg_endo -75.02 148.45 35.23 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.475 1.776 . . . . 74.439999999999998 111.037 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 23.6 p -81.77 4.0 23.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 62.43 109.965 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 61.6 m-80 -105.39 0.05 26.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 73.549999999999997 109.328 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 836' ' ' TYR . . . . . 0.504 ' CG ' ' HG2' ' A' ' 833' ' ' PRO . 6.4 m-85 -116.16 0.95 13.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 75.219999999999999 110.964 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 837' ' ' VAL . . . . . 0.764 HG21 ' HE2' ' A' ' 832' ' ' PHE . 6.1 m -139.63 169.84 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 60.109999999999999 109.318 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 838' ' ' GLU . . . . . 0.509 ' O ' ' HB1' ' A' ' 787' ' ' ALA . 19.8 mt-10 -110.04 174.42 5.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 70.25 110.328 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 839' ' ' GLU . . . . . 0.526 ' HG3' ' CZ3' ' A' ' 821' ' ' TRP . 19.0 mm-40 -149.09 138.38 21.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 73.019999999999996 110.316 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 19.9 t0 40.5 29.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 63.049999999999997 109.298 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 841' ' ' TYR . . . . . 0.449 ' N ' ' C ' ' A' ' 839' ' ' GLU . 18.4 p90 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 64.010000000000005 111.03 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 785' ' ' GLY . . . . . 0.523 ' O ' HG23 ' A' ' 786' ' ' THR . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.024 -0.83 . . . . 71.409999999999997 111.024 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 786' ' ' THR . . . . . 0.523 HG23 ' O ' ' A' ' 785' ' ' GLY . 2.4 p -155.03 174.6 14.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 55.219999999999999 110.424 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 787' ' ' ALA . . . . . 0.661 ' HB2' HD11 ' A' ' 811' ' ' ILE . . . -144.81 102.99 3.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 74.349999999999994 109.289 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 788' ' ' LYS . . . . . . . . . . . . . 34.5 tttt -66.58 128.3 35.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 71.340000000000003 109.276 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 789' ' ' ALA . . . . . 0.44 ' HA ' HG12 ' A' ' 837' ' ' VAL . . . -75.15 124.7 27.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 72.420000000000002 109.299 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 790' ' ' ARG . . . . . 0.456 ' O ' ' CG ' ' A' ' 791' ' ' TYR . 19.9 mmm180 -98.45 1.26 46.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 74.120000000000005 110.273 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 791' ' ' TYR . . . . . 0.456 ' CG ' ' O ' ' A' ' 790' ' ' ARG . 67.4 m-85 -159.55 128.73 5.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 62.340000000000003 110.941 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.37 109.88 2.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 65.299999999999997 109.316 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 793' ' ' PHE . . . . . 0.557 ' CE2' ' CD ' ' A' ' 800' ' ' GLU . 1.1 t80 -99.12 125.18 44.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 72.030000000000001 111.023 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 97.5 m -92.25 113.25 25.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 62.229999999999997 108.294 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -72.83 104.21 3.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 70.109999999999999 109.306 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -75.15 -25.46 58.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 74.120000000000005 110.321 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -131.58 169.72 15.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 64.540000000000006 109.261 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 56.6 mtp180 -75.52 -4.35 39.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 73.310000000000002 110.317 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 97.2 p -87.97 -12.03 45.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 73.120000000000005 109.996 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 800' ' ' GLU . . . . . 0.557 ' CD ' ' CE2' ' A' ' 793' ' ' PHE . 33.4 tt0 -103.01 157.19 17.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 65.519999999999996 110.283 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 801' ' ' LEU . . . . . 0.652 HD23 ' H ' ' A' ' 802' ' ' SER . 0.8 OUTLIER -103.81 140.02 38.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 62.100000000000001 109.326 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 802' ' ' SER . . . . . 0.652 ' H ' HD23 ' A' ' 801' ' ' LEU . 10.9 t -79.45 112.04 16.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 62.210000000000001 109.979 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 803' ' ' LEU . . . . . 0.513 ' HG ' HD11 ' A' ' 809' ' ' ILE . 1.1 mp -107.01 158.87 16.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 74.420000000000002 109.269 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -158.41 113.09 2.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 64.349999999999994 109.309 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -38.93 133.16 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 62.140000000000001 110.295 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 94.76 -14.22 65.73 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.465 1.103 . . . . 40.109999999999999 110.977 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -92.76 162.02 14.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 0.737 . . . . 73.549999999999997 109.288 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 808' ' ' ILE . . . . . 0.69 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -116.09 136.51 52.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.519 1.137 . . . . 55.229999999999997 109.328 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 809' ' ' ILE . . . . . 0.89 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.4 mp -102.19 113.67 39.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 71.420000000000002 109.295 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 810' ' ' LYS . . . . . 0.419 ' HD2' ' N ' ' A' ' 811' ' ' ILE . 11.8 tptt -68.31 115.83 8.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 60.020000000000003 109.288 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 811' ' ' ILE . . . . . 0.661 HD11 ' HB2' ' A' ' 787' ' ' ALA . 5.3 mm -78.48 136.25 24.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 35.140000000000001 109.321 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 812' ' ' LEU . . . . . 0.415 HD21 ' HG3' ' A' ' 810' ' ' LYS . 0.7 OUTLIER -126.97 -46.99 1.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 75.340000000000003 109.301 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -135.96 141.28 44.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 73.400000000000006 109.325 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 814' ' ' LYS . . . . . 0.524 ' CD ' ' CE2' ' A' ' 821' ' ' TRP . 11.2 mtmm . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 75.310000000000002 109.285 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.048 -0.821 . . . . 72.040000000000006 111.048 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 820' ' ' TRP . . . . . 0.476 ' CE3' ' HB3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.34 172.81 12.18 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.003 -1.11 . . . . 64.010000000000005 108.003 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 821' ' ' TRP . . . . . 0.564 ' CZ3' ' HB2' ' A' ' 834' ' ' SER . 16.9 m0 -128.46 146.07 50.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 75.319999999999993 108.053 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 822' ' ' ARG . . . . . 0.503 ' HG3' ' CE2' ' A' ' 831' ' ' TRP . 7.6 ttt180 -99.39 111.23 23.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 73.540000000000006 110.264 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -131.18 -154.66 7.93 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.496 1.123 . . . . 43.039999999999999 110.962 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 824' ' ' GLU . . . . . 0.926 ' HB2' HD13 ' A' ' 829' ' ' ILE . 0.8 OUTLIER -168.45 149.06 4.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 0.758 . . . . 73.239999999999995 110.293 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 825' ' ' ILE . . . . . 0.575 HG23 ' CE1' ' A' ' 826' ' ' TYR . 3.6 mt -140.01 128.31 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 63.100000000000001 109.287 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 826' ' ' TYR . . . . . 0.575 ' CE1' HG23 ' A' ' 825' ' ' ILE . 3.5 m-30 60.77 21.89 11.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 75.310000000000002 110.992 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 89.71 6.0 70.73 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 74.299999999999997 110.995 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 828' ' ' ARG . . . . . 0.417 ' O ' ' HA ' ' A' ' 824' ' ' GLU . 86.9 mtt180 -97.74 118.09 33.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 0.771 . . . . 73.549999999999997 110.305 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 829' ' ' ILE . . . . . 0.926 HD13 ' HB2' ' A' ' 824' ' ' GLU . 2.9 mm -87.41 159.51 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.09 . . . . 71.099999999999994 109.302 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 169.64 -179.21 42.23 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 54.109999999999999 110.98 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 831' ' ' TRP . . . . . 0.503 ' CE2' ' HG3' ' A' ' 822' ' ' ARG . 80.5 m95 -117.85 150.14 39.68 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.963 -1.125 . . . . 75.519999999999996 107.963 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 832' ' ' PHE . . . . . 0.89 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 32.2 p90 -157.02 153.57 24.32 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 74.120000000000005 110.985 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 833' ' ' PRO . . . . . 0.409 ' O ' HG22 ' A' ' 837' ' ' VAL . 18.3 Cg_endo -74.97 148.28 35.19 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.462 1.769 . . . . 63.439999999999998 111.008 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 834' ' ' SER . . . . . 0.564 ' HB2' ' CZ3' ' A' ' 821' ' ' TRP . 60.1 p -86.56 3.91 42.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 73.129999999999995 109.999 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -96.43 -11.11 26.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 71.120000000000005 109.317 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -107.95 -4.64 17.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 73.430000000000007 110.994 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 837' ' ' VAL . . . . . 0.779 HG21 ' HE2' ' A' ' 832' ' ' PHE . 16.1 m -122.47 -177.35 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 74.420000000000002 109.287 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 838' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 787' ' ' ALA . 41.5 mm-40 -121.96 175.99 6.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 75.019999999999996 110.281 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 839' ' ' GLU . . . . . 0.453 ' HG3' ' CH2' ' A' ' 821' ' ' TRP . 13.4 mm-40 -150.61 138.08 19.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 73.299999999999997 110.318 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 20.0 t0 40.43 29.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 63.100000000000001 109.28 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 841' ' ' TYR . . . . . 0.445 ' N ' ' C ' ' A' ' 839' ' ' GLU . 17.0 p90 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 73.400000000000006 111.019 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.99 -0.844 . . . . 52.020000000000003 110.99 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 786' ' ' THR . . . . . 0.43 HG22 ' HA ' ' A' ' 810' ' ' LYS . 2.8 p -149.91 -179.74 7.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.775 . . . . 61.43 110.423 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 787' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' A' ' 838' ' ' GLU . . . -145.23 114.24 6.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 44.219999999999999 109.296 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 788' ' ' LYS . . . . . 0.452 ' HB2' ' CZ ' ' A' ' 841' ' ' TYR . 11.5 tttt -76.28 116.12 16.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 71.129999999999995 109.331 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -56.31 123.85 16.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 62.420000000000002 109.309 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 790' ' ' ARG . . . . . 0.427 ' C ' ' CG ' ' A' ' 791' ' ' TYR . 21.9 mmm180 -99.74 -6.3 27.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 72.310000000000002 110.287 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 791' ' ' TYR . . . . . 0.427 ' CG ' ' C ' ' A' ' 790' ' ' ARG . 68.9 m-85 -157.91 128.42 6.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 74.019999999999996 111.032 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 18.0 p-10 -60.67 121.23 11.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 74.25 109.321 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 793' ' ' PHE . . . . . 0.452 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.4 t80 -111.88 113.4 25.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 60.340000000000003 111.0 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 25.3 m -81.97 104.53 12.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 63.140000000000001 108.301 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 795' ' ' ALA . . . . . 0.481 ' HB1' ' HB3' ' A' ' 800' ' ' GLU . . . -61.33 98.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 31.25 109.278 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 2.8 ptp85 -47.9 -23.91 0.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 64.109999999999999 110.297 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 797' ' ' ASP . . . . . 0.428 ' CG ' ' HG ' ' A' ' 799' ' ' SER . 0.5 OUTLIER -155.47 169.09 25.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 53.240000000000002 109.302 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.24 -16.87 49.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 72.129999999999995 110.269 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 799' ' ' SER . . . . . 0.428 ' HG ' ' CG ' ' A' ' 797' ' ' ASP . 0.8 OUTLIER -71.74 -13.89 61.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 52.409999999999997 110.009 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 800' ' ' GLU . . . . . 0.481 ' HB3' ' HB1' ' A' ' 795' ' ' ALA . 1.4 tp10 -110.7 149.48 30.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 65.420000000000002 110.271 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 801' ' ' LEU . . . . . 0.644 HD23 ' H ' ' A' ' 802' ' ' SER . 0.8 OUTLIER -84.82 139.45 31.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 75.230000000000004 109.302 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 802' ' ' SER . . . . . 0.644 ' H ' HD23 ' A' ' 801' ' ' LEU . 1.0 OUTLIER -86.83 105.83 17.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 71.120000000000005 109.987 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 803' ' ' LEU . . . . . 0.452 ' HB2' ' CB ' ' A' ' 793' ' ' PHE . 0.5 OUTLIER -94.79 157.48 15.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 71.120000000000005 109.258 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -154.43 111.53 3.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 70.040000000000006 109.326 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -38.98 137.77 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 74.420000000000002 110.3 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 83.77 8.44 84.41 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.475 1.109 . . . . 72.450000000000003 110.982 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -112.4 162.8 15.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 74.519999999999996 109.268 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 808' ' ' ILE . . . . . 0.689 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -110.24 146.71 15.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 73.319999999999993 109.297 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 809' ' ' ILE . . . . . 0.91 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.5 mp -118.54 116.61 51.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 72.209999999999994 109.347 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 810' ' ' LYS . . . . . 0.43 ' HA ' HG22 ' A' ' 786' ' ' THR . 14.2 tptp -75.93 114.21 14.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 74.129999999999995 109.322 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 811' ' ' ILE . . . . . 0.413 ' N ' ' HD2' ' A' ' 810' ' ' LYS . 3.3 mm -71.33 128.84 34.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 65.099999999999994 109.303 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 812' ' ' LEU . . . . . . . . . . . . . 2.5 mt -120.17 -51.26 2.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 65.200000000000003 109.348 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 813' ' ' ASN . . . . . 0.468 ' CB ' ' HB3' ' A' ' 822' ' ' ARG . 2.9 t30 -122.46 156.6 33.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 64.239999999999995 109.293 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 814' ' ' LYS . . . . . 0.519 ' HD2' ' CD1' ' A' ' 821' ' ' TRP . 1.5 mmmp? . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 43.420000000000002 109.308 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.969 -0.852 . . . . 62.439999999999998 110.969 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 820' ' ' TRP . . . . . 0.712 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.37 172.6 12.47 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.01 -1.107 . . . . 64.25 108.01 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 821' ' ' TRP . . . . . 0.593 ' O ' ' CE1' ' A' ' 832' ' ' PHE . 41.0 m0 -130.91 131.39 44.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 73.310000000000002 107.982 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 822' ' ' ARG . . . . . 0.468 ' HB3' ' CB ' ' A' ' 813' ' ' ASN . 22.1 ttp180 -87.56 99.92 12.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 75.239999999999995 110.294 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -119.0 -159.15 10.95 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.507 1.129 . . . . 34.130000000000003 111.011 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 824' ' ' GLU . . . . . 0.92 ' HB2' HD13 ' A' ' 829' ' ' ILE . 19.8 tt0 -161.12 159.14 28.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 0.769 . . . . 63.210000000000001 110.304 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 825' ' ' ILE . . . . . 0.649 HD11 ' O ' ' A' ' 808' ' ' ILE . 2.4 mt -151.87 128.84 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 72.230000000000004 109.281 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 826' ' ' TYR . . . . . 0.61 ' HD2' HH21 ' A' ' 828' ' ' ARG . 4.8 m-30 58.51 23.93 11.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 55.219999999999999 110.985 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 85.67 17.34 62.04 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.468 1.105 . . . . 51.549999999999997 110.974 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 828' ' ' ARG . . . . . 0.61 HH21 ' HD2' ' A' ' 826' ' ' TYR . 18.8 mtm105 -108.96 114.75 28.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 0.761 . . . . 73.239999999999995 110.346 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 829' ' ' ILE . . . . . 0.92 HD13 ' HB2' ' A' ' 824' ' ' GLU . 2.7 mm -87.42 157.56 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 72.140000000000001 109.275 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 174.07 -169.54 42.57 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.526 1.141 . . . . 74.120000000000005 111.0 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 831' ' ' TRP . . . . . 0.712 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 70.6 m95 -126.58 142.32 51.57 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.009 -1.108 . . . . 75.140000000000001 108.009 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 832' ' ' PHE . . . . . 0.91 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 38.5 p90 -148.76 150.95 34.34 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 70.420000000000002 111.004 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 833' ' ' PRO . . . . . 0.449 ' HG2' ' CD1' ' A' ' 836' ' ' TYR . 18.4 Cg_endo -74.99 147.47 34.03 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.492 1.785 . . . . 73.349999999999994 111.018 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 834' ' ' SER . . . . . 0.57 ' HB2' ' CH2' ' A' ' 821' ' ' TRP . 7.7 p -84.36 3.89 33.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 71.329999999999998 109.966 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -97.51 -9.4 27.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 50.119999999999997 109.276 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 836' ' ' TYR . . . . . 0.449 ' CD1' ' HG2' ' A' ' 833' ' ' PRO . 17.2 m-85 -109.97 -0.45 18.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 71.049999999999997 111.021 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 837' ' ' VAL . . . . . 0.794 HG21 ' HE2' ' A' ' 832' ' ' PHE . 10.8 m -126.47 -176.17 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 64.340000000000003 109.281 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 838' ' ' GLU . . . . . 0.428 ' O ' ' CB ' ' A' ' 787' ' ' ALA . 7.0 mm-40 -125.89 171.55 10.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 71.219999999999999 110.312 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 839' ' ' GLU . . . . . 0.563 ' HG3' ' CH2' ' A' ' 821' ' ' TRP . 14.5 mm-40 -148.23 140.25 24.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 75.450000000000003 110.314 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 840' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 839' ' ' GLU . 20.7 t70 40.51 29.84 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 74.319999999999993 109.284 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 841' ' ' TYR . . . . . 0.452 ' CZ ' ' HB2' ' A' ' 788' ' ' LYS . 18.5 p90 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.433 1.083 . . . . 74.239999999999995 111.002 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 785' ' ' GLY . . . . . 0.675 ' O ' HG23 ' A' ' 786' ' ' THR . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 111.005 -0.838 . . . . 50.340000000000003 111.005 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 786' ' ' THR . . . . . 0.675 HG23 ' O ' ' A' ' 785' ' ' GLY . 2.5 p -159.8 178.72 9.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 0.736 . . . . 54.43 110.373 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 787' ' ' ALA . . . . . 0.559 ' HB2' HD11 ' A' ' 811' ' ' ILE . . . -142.5 111.82 6.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 62.409999999999997 109.258 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 788' ' ' LYS . . . . . 0.406 ' HB2' ' CZ ' ' A' ' 841' ' ' TYR . 13.2 tttt -79.19 118.32 21.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 74.209999999999994 109.298 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -61.15 139.21 58.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 72.230000000000004 109.289 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 790' ' ' ARG . . . . . 0.422 ' C ' ' CD1' ' A' ' 791' ' ' TYR . 37.3 mmm-85 -118.31 -2.7 11.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 64.310000000000002 110.311 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 791' ' ' TYR . . . . . 0.422 ' CD1' ' C ' ' A' ' 790' ' ' ARG . 22.1 m-85 -143.97 129.38 18.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 73.530000000000001 110.985 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -65.09 96.68 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 61.299999999999997 109.324 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 793' ' ' PHE . . . . . 0.55 ' CE2' ' OE1' ' A' ' 800' ' ' GLU . 1.1 t80 -83.06 175.04 10.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 74.510000000000005 111.04 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 4.3 p -152.35 105.58 3.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 43.329999999999998 108.264 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -69.35 132.96 47.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 44.340000000000003 109.371 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.53 -18.27 14.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 65.140000000000001 110.343 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -144.99 174.19 11.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 64.310000000000002 109.287 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -72.26 -14.13 61.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 75.109999999999999 110.326 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 2.9 p -84.0 7.92 16.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 71.140000000000001 110.002 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 800' ' ' GLU . . . . . 0.55 ' OE1' ' CE2' ' A' ' 793' ' ' PHE . 29.2 tt0 -129.07 142.23 50.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 73.530000000000001 110.315 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 801' ' ' LEU . . . . . 0.636 HD23 ' H ' ' A' ' 802' ' ' SER . 0.8 OUTLIER -91.03 139.23 30.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.085 . . . . 64.310000000000002 109.297 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 802' ' ' SER . . . . . 0.636 ' H ' HD23 ' A' ' 801' ' ' LEU . 0.9 OUTLIER -80.83 105.17 11.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 42.329999999999998 110.025 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 803' ' ' LEU . . . . . 0.824 HD11 HG12 ' A' ' 809' ' ' ILE . 0.4 OUTLIER -99.96 154.35 18.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 72.040000000000006 109.308 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 7.3 tptm -157.35 115.45 3.16 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 74.340000000000003 109.267 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 805' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 791' ' ' TYR . 4.5 mt-10 -39.29 142.31 0.27 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 74.310000000000002 110.318 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 79.26 13.82 82.36 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.519 1.137 . . . . 71.310000000000002 110.975 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -120.05 159.37 24.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 0.784 . . . . 75.099999999999994 109.321 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 808' ' ' ILE . . . . . 0.774 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -108.68 148.23 12.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 71.430000000000007 109.263 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 809' ' ' ILE . . . . . 0.824 HG12 HD11 ' A' ' 803' ' ' LEU . 1.9 mp -120.16 116.42 50.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 73.129999999999995 109.305 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 810' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -72.99 113.42 10.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 61.229999999999997 109.301 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 811' ' ' ILE . . . . . 0.559 HD11 ' HB2' ' A' ' 787' ' ' ALA . 5.6 mm -70.88 128.52 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 74.219999999999999 109.331 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 812' ' ' LEU . . . . . . . . . . . . . 2.8 mt -120.11 -48.59 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 71.319999999999993 109.295 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 813' ' ' ASN . . . . . 0.456 ' HB2' ' CZ ' ' A' ' 822' ' ' ARG . 9.0 t-20 -120.33 149.42 42.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 73.439999999999998 109.32 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 814' ' ' LYS . . . . . 0.54 ' HD2' ' CD1' ' A' ' 821' ' ' TRP . 1.3 mmmp? . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 74.239999999999995 109.281 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.964 -0.854 . . . . 71.140000000000001 110.964 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 820' ' ' TRP . . . . . 0.509 ' CZ3' ' CG ' ' A' ' 831' ' ' TRP . 1.1 p-90 -142.84 120.31 11.69 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.006 -1.109 . . . . 74.540000000000006 108.006 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 821' ' ' TRP . . . . . 0.54 ' CD1' ' HD2' ' A' ' 814' ' ' LYS . 21.6 m0 -91.61 158.93 16.15 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.958 -1.127 . . . . 71.430000000000007 107.958 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 822' ' ' ARG . . . . . 0.566 ' HG3' ' CD1' ' A' ' 831' ' ' TRP . 44.4 ttp180 -117.65 119.6 35.46 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 75.140000000000001 110.318 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 823' ' ' GLY . . . . . 0.586 ' C ' HD11 ' A' ' 801' ' ' LEU . . . -136.93 -161.24 8.92 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.529 1.143 . . . . 71.109999999999999 110.999 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 824' ' ' GLU . . . . . 0.934 ' HB2' HD13 ' A' ' 829' ' ' ILE . 19.2 tt0 -152.4 158.61 42.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 0.769 . . . . 71.409999999999997 110.315 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 825' ' ' ILE . . . . . 0.559 HG22 ' CD2' ' A' ' 826' ' ' TYR . 2.0 mt -150.78 123.33 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 73.329999999999998 109.318 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 826' ' ' TYR . . . . . 0.559 ' CD2' HG22 ' A' ' 825' ' ' ILE . 6.7 m-85 60.12 26.79 16.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 73.409999999999997 110.956 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 827' ' ' GLY . . . . . 0.402 ' C ' ' OE2' ' A' ' 824' ' ' GLU . . . 89.9 -2.84 82.48 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.476 1.11 . . . . 62.109999999999999 110.995 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 828' ' ' ARG . . . . . 0.406 ' O ' ' HA ' ' A' ' 824' ' ' GLU . 34.1 mtt180 -87.06 111.97 21.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 0.749 . . . . 71.5 110.266 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 829' ' ' ILE . . . . . 0.934 HD13 ' HB2' ' A' ' 824' ' ' GLU . 3.2 mm -87.54 155.92 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 73.420000000000002 109.306 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 163.87 -170.67 39.25 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.472 1.108 . . . . 74.409999999999997 110.982 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 831' ' ' TRP . . . . . 0.566 ' CD1' ' HG3' ' A' ' 822' ' ' ARG . 14.0 m95 -123.7 -176.06 3.37 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.988 -1.116 . . . . 71.129999999999995 107.988 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 832' ' ' PHE . . . . . 0.798 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 34.9 p90 -178.36 160.93 1.18 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 53.240000000000002 110.99 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 833' ' ' PRO . . . . . 0.506 ' HG2' ' CG ' ' A' ' 836' ' ' TYR . 18.2 Cg_endo -75.03 148.59 35.37 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.475 1.776 . . . . 72.219999999999999 111.005 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 5.0 p -81.32 3.92 22.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 55.329999999999998 110.011 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -105.48 -0.04 26.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 72.150000000000006 109.267 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 836' ' ' TYR . . . . . 0.506 ' CG ' ' HG2' ' A' ' 833' ' ' PRO . 6.8 m-85 -116.34 8.46 14.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 70.530000000000001 111.011 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 837' ' ' VAL . . . . . 0.74 HG21 ' CE2' ' A' ' 832' ' ' PHE . 6.6 m -151.65 163.91 2.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 72.430000000000007 109.301 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 838' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -135.93 129.74 32.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 71.019999999999996 110.294 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 839' ' ' GLU . . . . . 0.402 ' C ' ' CD ' ' A' ' 839' ' ' GLU . 0.1 OUTLIER -120.16 169.02 10.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 63.549999999999997 110.253 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 16.8 t0 54.87 28.71 10.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 64.209999999999994 109.326 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 841' ' ' TYR . . . . . 0.406 ' CZ ' ' HB2' ' A' ' 788' ' ' LYS . 37.1 p90 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 74.439999999999998 111.013 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 785' ' ' GLY . . . . . 0.524 ' O ' HG23 ' A' ' 786' ' ' THR . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.0 -0.84 . . . . 74.109999999999999 111.0 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 786' ' ' THR . . . . . 0.524 HG23 ' O ' ' A' ' 785' ' ' GLY . 2.4 p -154.78 172.83 17.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 0.767 . . . . 65.340000000000003 110.448 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 787' ' ' ALA . . . . . 0.745 ' HB2' HD11 ' A' ' 811' ' ' ILE . . . -146.28 104.52 3.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 63.200000000000003 109.315 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 788' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 838' ' ' GLU . 36.2 tttt -65.38 132.63 49.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 52.530000000000001 109.288 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 789' ' ' ALA . . . . . 0.451 ' HB2' ' CD1' ' A' ' 809' ' ' ILE . . . -77.34 127.36 32.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 72.129999999999995 109.281 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 790' ' ' ARG . . . . . 0.475 ' C ' ' CG ' ' A' ' 791' ' ' TYR . 17.7 mmm180 -99.56 -2.32 36.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 63.329999999999998 110.286 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 791' ' ' TYR . . . . . 0.475 ' CG ' ' C ' ' A' ' 790' ' ' ARG . 51.0 m-85 -159.17 128.73 5.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 74.409999999999997 111.008 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 19.2 p-10 -64.88 115.89 5.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 71.430000000000007 109.311 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 793' ' ' PHE . . . . . 0.464 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.1 t80 -104.85 125.4 50.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 75.430000000000007 110.981 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 5.0 t -92.72 103.48 15.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 62.399999999999999 108.275 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -61.25 105.59 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 74.430000000000007 109.292 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 4.5 ptm85 -56.56 -21.36 25.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 73.439999999999998 110.342 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -157.01 -178.92 7.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 70.239999999999995 109.312 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 7.5 tpt85 -72.3 -6.01 40.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 70.530000000000001 110.3 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 2.4 p -80.24 -11.63 59.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 75.239999999999995 109.962 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -117.72 150.41 39.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 74.439999999999998 110.318 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 801' ' ' LEU . . . . . 0.639 HD23 ' H ' ' A' ' 802' ' ' SER . 0.8 OUTLIER -88.69 139.63 30.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 74.239999999999995 109.295 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 802' ' ' SER . . . . . 0.639 ' H ' HD23 ' A' ' 801' ' ' LEU . 1.3 t -81.73 108.29 15.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.158 . . . . 55.530000000000001 109.999 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 803' ' ' LEU . . . . . 0.563 HD11 HG12 ' A' ' 809' ' ' ILE . 0.8 OUTLIER -97.0 157.63 15.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 74.099999999999994 109.321 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 804' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 805' ' ' GLU . 8.1 tmtt? -156.87 110.86 2.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 74.209999999999994 109.284 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 805' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 804' ' ' LYS . 10.3 mt-10 -38.85 134.27 1.01 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 53.439999999999998 110.257 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 92.16 -9.33 76.56 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.477 1.111 . . . . 64.030000000000001 111.018 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -96.8 163.65 12.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 73.420000000000002 109.314 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 808' ' ' ILE . . . . . 0.664 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -116.09 135.67 55.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 65.340000000000003 109.221 -179.933 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 809' ' ' ILE . . . . . 0.906 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.3 mp -102.23 113.81 39.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 72.400000000000006 109.256 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 810' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 811' ' ' ILE . 11.7 tptt -66.54 114.88 5.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 72.109999999999999 109.331 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 811' ' ' ILE . . . . . 0.745 HD11 ' HB2' ' A' ' 787' ' ' ALA . 3.8 mm -78.38 131.76 33.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 62.329999999999998 109.296 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 812' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.97 -43.98 2.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 72.450000000000003 109.296 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -133.12 145.49 50.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 73.129999999999995 109.299 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 814' ' ' LYS . . . . . 0.586 ' HA ' ' CD1' ' A' ' 821' ' ' TRP . 13.3 mtmt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 73.310000000000002 109.326 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.033 -0.827 . . . . 61.229999999999997 111.033 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 820' ' ' TRP . . . . . 0.732 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.37 172.89 12.07 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.012 -1.107 . . . . 64.140000000000001 108.012 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 821' ' ' TRP . . . . . 0.586 ' CD1' ' HA ' ' A' ' 814' ' ' LYS . 12.0 m0 -130.3 140.58 50.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 71.140000000000001 108.016 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 822' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -89.12 127.33 35.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 71.219999999999999 110.29 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -151.56 -166.1 13.61 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.525 1.141 . . . . 72.230000000000004 111.004 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 824' ' ' GLU . . . . . 0.913 ' HB2' HD13 ' A' ' 829' ' ' ILE . 19.9 tt0 -157.8 159.44 36.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 0.768 . . . . 72.519999999999996 110.276 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 825' ' ' ILE . . . . . 0.563 HG22 ' CD2' ' A' ' 826' ' ' TYR . 2.8 mt -151.88 133.8 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 72.209999999999994 109.272 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 826' ' ' TYR . . . . . 0.563 ' CD2' HG22 ' A' ' 825' ' ' ILE . 19.0 m-85 56.69 16.78 2.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 75.400000000000006 111.011 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 91.31 20.66 37.62 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.455 1.097 . . . . 52.5 110.968 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 828' ' ' ARG . . . . . 0.418 ' N ' ' HG3' ' A' ' 824' ' ' GLU . 6.1 mmt85 -113.2 116.8 30.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 0.793 . . . . 74.439999999999998 110.278 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 829' ' ' ILE . . . . . 0.913 HD13 ' HB2' ' A' ' 824' ' ' GLU . 2.6 mm -87.19 152.7 3.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 74.200000000000003 109.314 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 177.95 -163.93 32.48 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.467 1.104 . . . . 53.530000000000001 110.965 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 831' ' ' TRP . . . . . 0.732 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 64.1 m95 -129.67 165.9 20.88 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.014 -1.106 . . . . 73.150000000000006 108.014 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 832' ' ' PHE . . . . . 0.906 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 29.8 p90 -174.1 154.14 2.12 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 73.239999999999995 110.966 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 833' ' ' PRO . . . . . 0.4 ' HG2' ' CD1' ' A' ' 836' ' ' TYR . 18.4 Cg_endo -75.04 147.57 33.95 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.494 1.786 . . . . 52.340000000000003 111.004 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 834' ' ' SER . . . . . 0.562 ' HB2' ' CZ3' ' A' ' 821' ' ' TRP . 23.4 p -82.2 3.56 26.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 62.409999999999997 110.023 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -100.38 -6.28 25.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 74.400000000000006 109.283 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 836' ' ' TYR . . . . . 0.4 ' CD1' ' HG2' ' A' ' 833' ' ' PRO . 5.7 m-85 -108.25 -6.23 16.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 75.010000000000005 111.03 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 837' ' ' VAL . . . . . 0.713 HG21 ' HE2' ' A' ' 832' ' ' PHE . 16.1 m -122.74 176.54 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 64.120000000000005 109.362 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 838' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 788' ' ' LYS . 7.3 mt-10 -111.01 178.65 4.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 64.150000000000006 110.3 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 839' ' ' GLU . . . . . 0.436 ' C ' ' N ' ' A' ' 841' ' ' TYR . 19.5 mp0 -151.42 131.2 13.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 72.140000000000001 110.294 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 42.4 t0 40.98 29.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 73.150000000000006 109.292 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 841' ' ' TYR . . . . . 0.436 ' N ' ' C ' ' A' ' 839' ' ' GLU . 9.8 p90 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 63.030000000000001 111.057 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 785' ' ' GLY . . . . . 0.532 ' O ' HG23 ' A' ' 786' ' ' THR . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.001 -0.84 . . . . 43.32 111.001 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 786' ' ' THR . . . . . 0.532 HG23 ' O ' ' A' ' 785' ' ' GLY . 3.1 p -155.38 170.31 22.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 0.792 . . . . 64.25 110.443 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 787' ' ' ALA . . . . . 0.842 ' HB2' HD11 ' A' ' 811' ' ' ILE . . . -145.51 105.0 3.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 54.329999999999998 109.328 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 788' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 838' ' ' GLU . 12.7 tttt -68.32 122.76 19.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 72.319999999999993 109.29 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 789' ' ' ALA . . . . . 0.478 ' HB2' ' CD1' ' A' ' 809' ' ' ILE . . . -71.82 138.3 48.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 74.349999999999994 109.306 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 790' ' ' ARG . . . . . 0.415 ' C ' ' CG ' ' A' ' 791' ' ' TYR . 6.3 mmp_? -107.59 -2.84 19.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.087 . . . . 74.319999999999993 110.31 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 791' ' ' TYR . . . . . 0.425 ' CA ' ' HG3' ' A' ' 805' ' ' GLU . 67.9 m-85 -156.66 128.44 7.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 71.150000000000006 111.022 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -64.28 123.19 18.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 74.409999999999997 109.272 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 793' ' ' PHE . . . . . 0.464 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.1 t80 -111.05 113.27 25.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.15 . . . . 74.519999999999996 111.017 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 14.6 t -81.97 107.22 14.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 63.299999999999997 108.278 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 795' ' ' ALA . . . . . 0.437 ' HB1' ' HB3' ' A' ' 800' ' ' GLU . . . -68.83 138.67 54.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 44.219999999999999 109.319 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.52 -12.08 12.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 74.340000000000003 110.296 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -140.17 155.37 46.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 74.540000000000006 109.294 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 798' ' ' ARG . . . . . 0.419 ' HD3' ' N ' ' A' ' 798' ' ' ARG . 0.0 OUTLIER -63.57 -12.45 32.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 74.109999999999999 110.273 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 88.5 p -86.77 7.87 25.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 65.349999999999994 110.021 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 800' ' ' GLU . . . . . 0.437 ' HB3' ' HB1' ' A' ' 795' ' ' ALA . 1.7 tp10 -122.87 151.91 41.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 74.5 110.277 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 801' ' ' LEU . . . . . 0.626 HD23 ' H ' ' A' ' 802' ' ' SER . 0.9 OUTLIER -101.9 138.39 38.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 74.140000000000001 109.35 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 802' ' ' SER . . . . . 0.626 ' H ' HD23 ' A' ' 801' ' ' LEU . 1.0 OUTLIER -80.47 106.44 12.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 62.43 109.98 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 803' ' ' LEU . . . . . 0.464 ' HB2' ' CB ' ' A' ' 793' ' ' PHE . 0.9 OUTLIER -95.37 156.73 16.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 61.329999999999998 109.325 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -155.12 111.56 3.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 61.299999999999997 109.309 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 805' ' ' GLU . . . . . 0.425 ' HG3' ' CA ' ' A' ' 791' ' ' TYR . 5.6 mt-10 -38.91 136.53 0.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 71.329999999999998 110.321 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 85.86 5.31 83.94 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.462 1.101 . . . . 54.100000000000001 111.022 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -108.53 165.24 11.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.765 . . . . 74.109999999999999 109.296 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 808' ' ' ILE . . . . . 0.684 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -116.29 138.2 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 61.340000000000003 109.322 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 809' ' ' ILE . . . . . 0.926 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.4 mp -107.77 114.77 47.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 75.239999999999995 109.309 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 810' ' ' LYS . . . . . 0.405 ' HD2' ' N ' ' A' ' 811' ' ' ILE . 22.1 tptt -68.9 113.41 6.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 74.010000000000005 109.266 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 811' ' ' ILE . . . . . 0.842 HD11 ' HB2' ' A' ' 787' ' ' ALA . 3.0 mm -72.89 121.69 24.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 60.43 109.321 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 812' ' ' LEU . . . . . 0.458 HD12 ' CA ' ' A' ' 823' ' ' GLY . 1.4 mt -112.74 -48.98 2.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 63.119999999999997 109.299 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -121.82 152.03 39.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 75.200000000000003 109.336 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 814' ' ' LYS . . . . . 0.548 ' HA ' ' CD1' ' A' ' 821' ' ' TRP . 8.7 mtmt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 73.319999999999993 109.292 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.03 -0.828 . . . . 61.329999999999998 111.03 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 820' ' ' TRP . . . . . 0.693 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.38 172.7 12.33 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.01 -1.108 . . . . 75.129999999999995 108.01 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 821' ' ' TRP . . . . . 0.549 ' O ' ' CE1' ' A' ' 832' ' ' PHE . 11.1 m0 -133.03 139.18 47.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 75.420000000000002 107.984 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 822' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -81.78 141.71 33.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 74.349999999999994 110.278 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 823' ' ' GLY . . . . . 0.458 ' CA ' HD12 ' A' ' 812' ' ' LEU . . . -166.2 -164.24 21.35 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.472 1.107 . . . . 71.409999999999997 111.021 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 824' ' ' GLU . . . . . 0.952 ' HB2' HD13 ' A' ' 829' ' ' ILE . 19.6 tt0 -161.23 159.12 28.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 0.748 . . . . 74.439999999999998 110.34 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 825' ' ' ILE . . . . . 0.565 HG22 ' CD2' ' A' ' 826' ' ' TYR . 2.9 mt -151.94 135.21 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 64.219999999999999 109.319 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 826' ' ' TYR . . . . . 0.565 ' CD2' HG22 ' A' ' 825' ' ' ILE . 22.1 m-85 56.07 16.93 2.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 73.239999999999995 110.994 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 90.52 22.04 35.52 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.49 1.119 . . . . 62.299999999999997 111.018 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 828' ' ' ARG . . . . . 0.416 ' N ' ' HG3' ' A' ' 824' ' ' GLU . 13.1 mmt-85 -114.94 117.78 31.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 0.773 . . . . 63.340000000000003 110.332 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 829' ' ' ILE . . . . . 0.952 HD13 ' HB2' ' A' ' 824' ' ' GLU . 2.9 mm -87.25 152.4 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 72.120000000000005 109.281 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 177.16 -164.53 33.92 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 51.340000000000003 110.992 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 831' ' ' TRP . . . . . 0.693 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 56.4 m95 -129.21 157.2 42.51 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.001 -1.111 . . . . 74.409999999999997 108.001 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 832' ' ' PHE . . . . . 0.926 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 31.8 p90 -161.81 153.25 15.59 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 74.099999999999994 111.007 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 147.95 34.65 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.522 1.801 . . . . 72.219999999999999 111.026 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 834' ' ' SER . . . . . 0.514 ' OG ' ' CZ3' ' A' ' 821' ' ' TRP . 30.3 t -85.16 3.44 39.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 73.120000000000005 109.989 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -96.97 -7.88 31.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 60.450000000000003 109.321 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -111.87 -9.6 14.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 64.420000000000002 110.978 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 837' ' ' VAL . . . . . 0.836 HG21 ' HE2' ' A' ' 832' ' ' PHE . 15.6 m -122.18 161.68 22.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 74.109999999999999 109.283 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 838' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 788' ' ' LYS . 47.3 mm-40 -134.0 123.66 24.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.093 . . . . 75.040000000000006 110.303 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 839' ' ' GLU . . . . . 0.485 ' OE2' ' CH2' ' A' ' 821' ' ' TRP . 1.3 pt-20 -113.55 -179.6 3.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 72.310000000000002 110.271 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 58.6 t0 41.19 51.59 3.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 51.350000000000001 109.307 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 841' ' ' TYR . . . . . . . . . . . . . 19.9 p90 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 74.239999999999995 110.989 -179.981 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.954 -0.859 . . . . 74.099999999999994 110.954 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 786' ' ' THR . . . . . 0.475 HG22 ' HA ' ' A' ' 810' ' ' LYS . 2.9 p -133.56 172.59 12.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 0.758 . . . . 74.540000000000006 110.38 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 787' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 838' ' ' GLU . . . -134.7 106.53 6.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 70.349999999999994 109.28 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 788' ' ' LYS . . . . . 0.559 ' HB2' ' CE2' ' A' ' 841' ' ' TYR . 8.4 tttt -68.49 121.88 17.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 42.520000000000003 109.3 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -72.06 128.41 35.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 64.200000000000003 109.301 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 790' ' ' ARG . . . . . 0.482 ' HB2' ' CE2' ' A' ' 791' ' ' TYR . 16.0 mmm180 -97.8 -4.77 36.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 75.25 110.268 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 791' ' ' TYR . . . . . 0.482 ' CE2' ' HB2' ' A' ' 790' ' ' ARG . 26.3 m-85 -154.62 129.01 9.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 72.540000000000006 110.994 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -64.01 123.22 18.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 64.530000000000001 109.303 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 793' ' ' PHE . . . . . 0.465 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.1 t80 -111.34 114.06 26.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 75.219999999999999 110.97 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 33.8 m -80.08 125.2 29.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 72.329999999999998 108.31 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -86.63 140.1 30.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 62.119999999999997 109.331 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.91 -9.91 11.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 75.239999999999995 110.333 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -154.8 166.22 34.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 75.439999999999998 109.32 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 1.3 ptp85 -65.4 -13.2 58.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 70.329999999999998 110.318 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 93.4 p -83.83 7.78 16.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 71.340000000000003 109.999 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -128.06 152.91 47.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 60.0 110.312 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 801' ' ' LEU . . . . . 0.449 HD23 ' N ' ' A' ' 802' ' ' SER . 1.0 OUTLIER -107.39 135.11 49.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 50.030000000000001 109.308 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 802' ' ' SER . . . . . 0.449 ' N ' HD23 ' A' ' 801' ' ' LEU . 0.9 OUTLIER -79.03 105.68 10.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 52.140000000000001 109.99 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 803' ' ' LEU . . . . . 0.532 ' HG ' HD11 ' A' ' 809' ' ' ILE . 1.7 mp -97.51 161.83 13.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 75.140000000000001 109.295 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -158.09 110.7 2.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 64.200000000000003 109.309 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -38.79 133.82 1.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 74.129999999999995 110.31 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 90.59 -2.36 80.29 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.534 1.146 . . . . 42.130000000000003 110.997 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -100.24 165.61 11.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 0.763 . . . . 72.430000000000007 109.281 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 808' ' ' ILE . . . . . 0.591 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -117.23 141.27 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 63.210000000000001 109.287 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 809' ' ' ILE . . . . . 0.963 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.7 mp -106.34 114.59 45.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 73.349999999999994 109.291 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 810' ' ' LYS . . . . . 0.475 ' HA ' HG22 ' A' ' 786' ' ' THR . 15.2 tptt -75.01 115.12 14.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 63.130000000000003 109.275 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 811' ' ' ILE . . . . . 0.469 ' CG2' ' HB2' ' A' ' 814' ' ' LYS . 2.8 mm -72.33 139.04 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 73.129999999999995 109.278 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 812' ' ' LEU . . . . . 0.464 HD21 ' HG3' ' A' ' 810' ' ' LYS . 0.7 OUTLIER -132.53 -55.53 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 74.120000000000005 109.274 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -83.64 -76.52 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 74.120000000000005 109.326 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 814' ' ' LYS . . . . . 0.592 ' HA ' ' CD1' ' A' ' 821' ' ' TRP . 6.2 tmtt? . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 72.409999999999997 109.283 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.988 -0.845 . . . . 73.25 110.988 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 820' ' ' TRP . . . . . 0.736 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.4 172.75 12.26 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.96 -1.126 . . . . 74.230000000000004 107.96 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 821' ' ' TRP . . . . . 0.596 ' O ' ' CD1' ' A' ' 832' ' ' PHE . 14.0 m0 -126.72 138.94 53.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 73.049999999999997 107.975 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 822' ' ' ARG . . . . . 0.519 ' HG3' ' CE2' ' A' ' 831' ' ' TRP . 5.5 ttt180 -98.06 93.63 6.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 61.329999999999998 110.339 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -116.33 -156.86 10.88 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.55 1.156 . . . . 51.240000000000002 111.013 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 824' ' ' GLU . . . . . 0.897 ' HB2' HD13 ' A' ' 829' ' ' ILE . 0.5 OUTLIER -160.14 150.78 18.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 0.781 . . . . 63.310000000000002 110.293 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 825' ' ' ILE . . . . . 0.484 ' CD1' ' O ' ' A' ' 808' ' ' ILE . 3.3 mt -140.0 128.79 26.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 75.150000000000006 109.312 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 826' ' ' TYR . . . . . 0.582 ' HD2' HH21 ' A' ' 828' ' ' ARG . 4.8 m-30 58.63 23.0 10.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 74.040000000000006 110.963 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 87.76 12.93 65.72 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.475 1.109 . . . . 61.310000000000002 110.979 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 828' ' ' ARG . . . . . 0.582 HH21 ' HD2' ' A' ' 826' ' ' TYR . 65.0 mtm180 -104.41 117.04 33.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 0.756 . . . . 75.409999999999997 110.305 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 829' ' ' ILE . . . . . 0.897 HD13 ' HB2' ' A' ' 824' ' ' GLU . 2.5 mm -87.32 157.34 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 71.140000000000001 109.283 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 830' ' ' GLY . . . . . 0.405 ' CA ' ' HG ' ' A' ' 801' ' ' LEU . . . 169.33 -177.24 43.06 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.468 1.105 . . . . 64.0 110.96 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 831' ' ' TRP . . . . . 0.736 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 75.5 m95 -114.52 146.74 40.35 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.962 -1.125 . . . . 61.43 107.962 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 832' ' ' PHE . . . . . 0.963 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 32.5 p90 -152.19 151.29 27.35 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 73.549999999999997 111.0 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 147.48 34.07 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.51 1.795 . . . . 53.200000000000003 110.977 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 834' ' ' SER . . . . . 0.486 ' HA ' HG22 ' A' ' 837' ' ' VAL . 23.3 p -87.17 -5.26 59.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 52.119999999999997 110.029 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -94.31 1.76 55.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 71.219999999999999 109.299 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -118.8 -8.0 10.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 65.439999999999998 111.028 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 837' ' ' VAL . . . . . 0.845 HG21 ' HE2' ' A' ' 832' ' ' PHE . 31.0 m -117.68 174.89 3.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 71.430000000000007 109.303 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 838' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 788' ' ' LYS . 14.1 mt-10 -109.76 178.11 4.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 75.430000000000007 110.314 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 839' ' ' GLU . . . . . 0.437 ' C ' ' N ' ' A' ' 841' ' ' TYR . 6.9 mp0 -151.55 128.34 10.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 74.140000000000001 110.311 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 34.3 t70 42.18 28.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 60.229999999999997 109.334 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 841' ' ' TYR . . . . . 0.559 ' CE2' ' HB2' ' A' ' 788' ' ' LYS . 4.1 p90 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.112 . . . . 53.420000000000002 111.024 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.984 -0.847 . . . . 71.439999999999998 110.984 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 2.3 p -150.44 167.59 26.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 0.756 . . . . 72.099999999999994 110.379 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 787' ' ' ALA . . . . . 0.525 ' HB1' ' O ' ' A' ' 838' ' ' GLU . . . -136.34 118.71 15.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 44.340000000000003 109.309 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 788' ' ' LYS . . . . . . . . . . . . . 10.6 tttt -78.39 119.98 22.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 73.510000000000005 109.305 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 789' ' ' ALA . . . . . 0.464 ' HB2' ' CD1' ' A' ' 809' ' ' ILE . . . -65.27 136.69 56.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 74.239999999999995 109.285 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 790' ' ' ARG . . . . . 0.596 ' C ' ' CD1' ' A' ' 791' ' ' TYR . 40.3 mmm-85 -117.28 7.35 12.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.085 . . . . 75.420000000000002 110.336 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 791' ' ' TYR . . . . . 0.596 ' CD1' ' C ' ' A' ' 790' ' ' ARG . 31.8 m-85 -151.61 138.17 18.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 53.420000000000002 111.002 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -73.92 117.17 15.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 73.25 109.324 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 793' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -126.55 113.7 17.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 75.230000000000004 110.963 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 81.2 m -84.37 143.05 29.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 73.340000000000003 108.308 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -99.37 101.86 13.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 70.439999999999998 109.306 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 8.6 mmt85 -50.7 -27.77 7.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 64.209999999999994 110.304 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -157.07 -176.75 6.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 74.420000000000002 109.341 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -69.2 -7.42 36.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 73.120000000000005 110.272 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 3.3 p -74.25 -18.56 60.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.457 1.098 . . . . 74.319999999999993 110.007 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -115.17 149.77 37.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 70.420000000000002 110.278 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 801' ' ' LEU . . . . . 0.643 HD23 ' N ' ' A' ' 802' ' ' SER . 1.0 OUTLIER -84.37 132.94 34.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 73.319999999999993 109.321 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 802' ' ' SER . . . . . 0.643 ' N ' HD23 ' A' ' 801' ' ' LEU . 0.1 OUTLIER -71.16 99.85 1.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 74.030000000000001 110.003 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 803' ' ' LEU . . . . . 0.525 HD21 ' CG1' ' A' ' 837' ' ' VAL . 2.0 tp -96.12 146.62 24.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 51.119999999999997 109.286 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.51 109.88 2.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 60.399999999999999 109.3 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 805' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 791' ' ' TYR . 3.2 mt-10 -39.63 145.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 74.439999999999998 110.26 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 81.41 17.66 70.74 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.515 1.134 . . . . 75.209999999999994 111.012 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -129.73 164.95 22.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.777 . . . . 45.0 109.329 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 808' ' ' ILE . . . . . 0.765 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -108.7 152.82 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 73.420000000000002 109.318 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 809' ' ' ILE . . . . . 0.872 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.3 mp -118.38 115.24 47.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 63.399999999999999 109.275 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 810' ' ' LYS . . . . . . . . . . . . . 25.4 tptt -75.1 112.92 11.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 72.0 109.343 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 811' ' ' ILE . . . . . . . . . . . . . 2.9 mm -71.99 119.21 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 52.030000000000001 109.282 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 812' ' ' LEU . . . . . 0.826 ' CB ' HH21 ' A' ' 822' ' ' ARG . 1.2 mt -111.95 -51.58 2.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 74.150000000000006 109.323 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 813' ' ' ASN . . . . . 0.47 ' CB ' ' HB3' ' A' ' 822' ' ' ARG . 2.5 t-20 -121.36 141.11 51.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 73.439999999999998 109.256 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 814' ' ' LYS . . . . . 0.523 ' HG3' ' CD1' ' A' ' 821' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 54.25 109.32 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.996 -0.841 . . . . 64.400000000000006 110.996 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 820' ' ' TRP . . . . . 0.711 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.42 172.32 12.86 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.027 -1.101 . . . . 73.129999999999995 108.027 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 821' ' ' TRP . . . . . 0.595 ' O ' ' CE1' ' A' ' 832' ' ' PHE . 17.8 m0 -132.35 136.34 46.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 73.430000000000007 107.983 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 822' ' ' ARG . . . . . 0.826 HH21 ' CB ' ' A' ' 812' ' ' LEU . 8.6 ttp180 -84.5 118.88 24.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 70.299999999999997 110.307 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -140.43 -159.4 7.93 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.571 1.17 . . . . 71.400000000000006 111.027 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 824' ' ' GLU . . . . . 0.932 ' HB2' HD13 ' A' ' 829' ' ' ILE . 20.7 tt0 -158.36 159.43 35.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.77 . . . . 71.530000000000001 110.319 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 825' ' ' ILE . . . . . 0.489 ' N ' ' CG ' ' A' ' 824' ' ' GLU . 2.3 mt -152.18 130.55 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 72.329999999999998 109.308 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 55.4 26.84 9.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 74.409999999999997 110.98 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 83.27 18.58 64.3 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.468 1.105 . . . . 74.5 110.99 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 828' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 824' ' ' GLU . 59.9 mtt180 -109.33 113.18 25.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 0.761 . . . . 65.310000000000002 110.304 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 829' ' ' ILE . . . . . 0.932 HD13 ' HB2' ' A' ' 824' ' ' GLU . 2.6 mm -87.38 158.53 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 73.439999999999998 109.315 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 164.79 -160.61 33.84 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.501 1.125 . . . . 74.010000000000005 110.964 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 831' ' ' TRP . . . . . 0.711 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 49.5 m95 -127.63 144.83 51.04 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.999 -1.111 . . . . 74.510000000000005 107.999 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 832' ' ' PHE . . . . . 0.872 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 38.1 p90 -144.0 148.47 42.12 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 74.140000000000001 111.015 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 833' ' ' PRO . . . . . 0.511 ' HG2' ' CD1' ' A' ' 836' ' ' TYR . 18.4 Cg_endo -75.0 147.66 34.21 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.532 1.806 . . . . 71.319999999999993 110.995 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 834' ' ' SER . . . . . 0.559 ' HB2' ' CZ3' ' A' ' 821' ' ' TRP . 79.1 p -82.83 3.82 27.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 71.140000000000001 110.007 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -95.38 -15.1 23.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 73.340000000000003 109.328 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 836' ' ' TYR . . . . . 0.511 ' CD1' ' HG2' ' A' ' 833' ' ' PRO . 7.9 m-85 -114.36 30.42 7.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 75.209999999999994 110.991 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 837' ' ' VAL . . . . . 0.72 HG21 ' HE2' ' A' ' 832' ' ' PHE . 26.8 m -155.2 161.45 2.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 74.219999999999999 109.309 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 838' ' ' GLU . . . . . 0.525 ' O ' ' HB1' ' A' ' 787' ' ' ALA . 12.6 mt-10 -100.83 179.37 4.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 71.530000000000001 110.319 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 839' ' ' GLU . . . . . 0.601 ' OE2' HG23 ' A' ' 837' ' ' VAL . 19.2 mp0 -154.79 129.89 9.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 72.25 110.303 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 33.5 t70 41.64 29.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 50.240000000000002 109.319 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 841' ' ' TYR . . . . . 0.434 ' N ' ' C ' ' A' ' 839' ' ' GLU . 8.2 p90 . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.453 1.096 . . . . 71.430000000000007 110.961 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 785' ' ' GLY . . . . . 0.509 ' O ' HG23 ' A' ' 786' ' ' THR . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.011 -0.836 . . . . 70.430000000000007 111.011 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 786' ' ' THR . . . . . 0.509 HG23 ' O ' ' A' ' 785' ' ' GLY . 2.5 p -154.46 174.08 15.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 0.762 . . . . 71.010000000000005 110.373 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 787' ' ' ALA . . . . . 0.696 ' HB2' HD11 ' A' ' 811' ' ' ILE . . . -144.49 105.32 4.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 31.120000000000001 109.289 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 788' ' ' LYS . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 841' ' ' TYR . 12.4 tttt -69.36 117.01 10.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 64.120000000000005 109.337 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 789' ' ' ALA . . . . . 0.537 ' HB2' ' CD1' ' A' ' 809' ' ' ILE . . . -63.5 133.38 53.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 62.219999999999999 109.327 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 790' ' ' ARG . . . . . 0.548 ' C ' ' CD1' ' A' ' 791' ' ' TYR . 32.0 mmm-85 -107.04 -1.43 22.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 75.329999999999998 110.314 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 791' ' ' TYR . . . . . 0.548 ' CD1' ' C ' ' A' ' 790' ' ' ARG . 62.2 m-85 -159.53 128.46 5.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 72.129999999999995 110.993 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -61.97 116.17 4.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 54.530000000000001 109.269 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 793' ' ' PHE . . . . . 0.425 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.2 t80 -107.84 114.08 27.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 72.420000000000002 110.975 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 41.4 t -81.38 108.68 15.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 70.230000000000004 108.296 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -69.94 104.13 2.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 44.109999999999999 109.296 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 11.1 ptt180 -56.51 -19.91 17.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 74.549999999999997 110.264 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -163.41 171.94 15.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 63.229999999999997 109.241 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -15.97 16.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 73.420000000000002 110.312 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 1.7 p -70.38 -7.58 44.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 73.510000000000005 110.024 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -125.49 150.02 47.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 73.450000000000003 110.312 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 801' ' ' LEU . . . . . 0.626 HD23 ' H ' ' A' ' 802' ' ' SER . 0.9 OUTLIER -88.52 138.06 31.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 61.030000000000001 109.331 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 802' ' ' SER . . . . . 0.626 ' H ' HD23 ' A' ' 801' ' ' LEU . 3.7 p -81.46 101.35 9.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 72.120000000000005 109.997 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 803' ' ' LEU . . . . . 0.597 HD11 HG12 ' A' ' 809' ' ' ILE . 0.5 OUTLIER -92.92 157.17 16.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 64.120000000000005 109.328 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 804' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 805' ' ' GLU . 7.7 tmtm? -156.63 111.24 2.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.472 1.108 . . . . 72.310000000000002 109.356 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 805' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 804' ' ' LYS . 7.6 mt-10 -38.86 133.42 1.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 74.310000000000002 110.292 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 90.43 -3.14 81.69 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.493 1.121 . . . . 42.119999999999997 110.964 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -104.45 159.74 15.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.777 . . . . 64.299999999999997 109.309 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 808' ' ' ILE . . . . . 0.723 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -110.64 139.99 31.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 64.400000000000006 109.32 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 809' ' ' ILE . . . . . 0.846 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.5 mp -105.61 113.83 43.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 62.539999999999999 109.263 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 810' ' ' LYS . . . . . 0.47 ' HG3' HD21 ' A' ' 812' ' ' LEU . 15.8 tptp -68.36 114.38 6.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 60.119999999999997 109.34 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 811' ' ' ILE . . . . . 0.696 HD11 ' HB2' ' A' ' 787' ' ' ALA . 3.5 mm -75.94 137.97 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 53.039999999999999 109.278 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 812' ' ' LEU . . . . . 0.47 HD21 ' HG3' ' A' ' 810' ' ' LYS . 2.1 mt -128.68 -48.0 1.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 61.009999999999998 109.295 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -134.36 141.1 46.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 52.030000000000001 109.32 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 814' ' ' LYS . . . . . 0.53 ' HE3' HG21 ' A' ' 811' ' ' ILE . 38.2 mttt . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 62.530000000000001 109.303 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.979 -0.848 . . . . 63.140000000000001 110.979 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 820' ' ' TRP . . . . . 0.729 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.35 172.69 12.35 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.999 -1.111 . . . . 74.439999999999998 107.999 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 821' ' ' TRP . . . . . 0.557 ' CE3' ' HB2' ' A' ' 834' ' ' SER . 20.9 m0 -126.34 138.19 53.55 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.986 -1.116 . . . . 71.209999999999994 107.986 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 822' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -95.77 105.43 17.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 75.340000000000003 110.263 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -126.31 -154.53 8.67 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 73.219999999999999 110.96 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 824' ' ' GLU . . . . . 0.876 ' HB2' HD13 ' A' ' 829' ' ' ILE . 19.9 tt0 -164.14 159.1 19.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 0.75 . . . . 74.140000000000001 110.32 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 825' ' ' ILE . . . . . 0.519 HD11 ' O ' ' A' ' 808' ' ' ILE . 3.2 mt -151.19 129.87 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 74.540000000000006 109.298 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 9.0 m-30 57.85 21.86 8.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 73.519999999999996 110.973 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 88.13 15.69 60.42 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.467 1.104 . . . . 73.299999999999997 111.019 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 828' ' ' ARG . . . . . 0.413 ' O ' ' HA ' ' A' ' 824' ' ' GLU . 34.2 mtt85 -107.28 115.35 30.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.756 . . . . 71.439999999999998 110.269 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 829' ' ' ILE . . . . . 0.876 HD13 ' HB2' ' A' ' 824' ' ' GLU . 2.7 mm -87.34 156.2 3.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 64.310000000000002 109.294 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 174.0 -169.89 42.96 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 61.049999999999997 110.967 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 831' ' ' TRP . . . . . 0.729 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 60.7 m95 -127.2 145.78 50.64 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.018 -1.104 . . . . 75.150000000000006 108.018 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 832' ' ' PHE . . . . . 0.846 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 31.0 p90 -150.44 151.18 30.58 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 74.430000000000007 110.993 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 147.59 33.92 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.506 1.793 . . . . 74.120000000000005 110.972 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 834' ' ' SER . . . . . 0.637 ' HA ' HG22 ' A' ' 837' ' ' VAL . 3.1 t -84.23 3.89 33.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 42.210000000000001 110.028 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -95.57 -12.46 25.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 72.109999999999999 109.319 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -110.24 -5.25 15.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 73.140000000000001 110.988 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 837' ' ' VAL . . . . . 0.817 HG21 ' HE2' ' A' ' 832' ' ' PHE . 21.0 m -121.88 179.3 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 72.420000000000002 109.291 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 838' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 788' ' ' LYS . 78.1 mt-10 -151.45 126.12 9.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 74.25 110.34 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 839' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 840' ' ' ASP . 0.0 OUTLIER -117.37 175.23 5.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 63.119999999999997 110.278 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 840' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 839' ' ' GLU . 46.7 t0 40.48 36.21 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 54.520000000000003 109.307 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 841' ' ' TYR . . . . . 0.519 ' CZ ' ' HB2' ' A' ' 788' ' ' LYS . 38.9 p90 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 73.530000000000001 111.004 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 785' ' ' GLY . . . . . 0.623 ' O ' HG23 ' A' ' 786' ' ' THR . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 110.983 -0.847 . . . . 53.420000000000002 110.983 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 786' ' ' THR . . . . . 0.623 HG23 ' O ' ' A' ' 785' ' ' GLY . 3.2 p -158.12 169.88 23.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 0.777 . . . . 54.149999999999999 110.411 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 787' ' ' ALA . . . . . 0.527 ' HB1' ' O ' ' A' ' 838' ' ' GLU . . . -142.19 122.81 14.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 64.430000000000007 109.288 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 788' ' ' LYS . . . . . . . . . . . . . 13.8 mtpt -70.81 165.8 22.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 75.019999999999996 109.332 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -106.2 116.88 32.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 63.229999999999997 109.322 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 790' ' ' ARG . . . . . 0.549 ' HB2' ' CE1' ' A' ' 791' ' ' TYR . 13.3 mmt180 -97.07 0.73 49.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 71.120000000000005 110.288 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 791' ' ' TYR . . . . . 0.549 ' CE1' ' HB2' ' A' ' 790' ' ' ARG . 27.4 m-85 -152.0 139.44 19.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 71.450000000000003 111.011 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -79.38 112.64 16.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 71.319999999999993 109.279 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 793' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -110.41 113.87 26.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 64.219999999999999 110.964 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 2.9 t -95.85 95.78 8.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 71.109999999999999 108.283 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 795' ' ' ALA . . . . . 0.47 ' HB1' ' HB3' ' A' ' 800' ' ' GLU . . . -43.21 133.58 3.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 73.549999999999997 109.327 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.4 -15.2 21.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.579 1.175 . . . . 72.120000000000005 110.306 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -141.89 174.5 10.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 71.239999999999995 109.297 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -81.63 3.48 25.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 71.530000000000001 110.32 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 97.3 p -102.71 8.52 39.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 61.240000000000002 110.004 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 800' ' ' GLU . . . . . 0.47 ' HB3' ' HB1' ' A' ' 795' ' ' ALA . 2.6 tp10 -121.1 148.64 43.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 63.520000000000003 110.296 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 801' ' ' LEU . . . . . 0.641 HD23 ' H ' ' A' ' 802' ' ' SER . 0.9 OUTLIER -85.68 137.86 32.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 73.409999999999997 109.245 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 802' ' ' SER . . . . . 0.641 ' H ' HD23 ' A' ' 801' ' ' LEU . 0.2 OUTLIER -77.68 97.85 5.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 73.129999999999995 110.003 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 803' ' ' LEU . . . . . 0.75 HD21 ' CG1' ' A' ' 837' ' ' VAL . 1.0 OUTLIER -93.12 153.41 18.68 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.464 1.102 . . . . 73.430000000000007 109.289 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 8.4 mtmm -163.4 120.78 1.86 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 72.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -44.83 147.74 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 75.030000000000001 110.338 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 75.93 21.39 76.44 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.451 1.094 . . . . 32.329999999999998 111.033 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -128.94 163.06 26.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.745 . . . . 75.239999999999995 109.279 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 808' ' ' ILE . . . . . 0.765 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -110.31 152.62 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 65.230000000000004 109.293 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 809' ' ' ILE . . . . . 0.849 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.2 mp -123.72 116.9 49.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 74.430000000000007 109.318 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 810' ' ' LYS . . . . . 0.415 ' HD2' ' N ' ' A' ' 811' ' ' ILE . 5.9 tptm -75.79 115.9 15.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 73.219999999999999 109.322 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 811' ' ' ILE . . . . . 0.415 ' N ' ' HD2' ' A' ' 810' ' ' LYS . 2.8 mm -74.6 116.12 16.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 65.209999999999994 109.318 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 812' ' ' LEU . . . . . 0.414 ' CD2' ' HG3' ' A' ' 810' ' ' LYS . 0.9 OUTLIER -107.66 -49.89 3.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 74.209999999999994 109.296 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 813' ' ' ASN . . . . . 0.417 ' CB ' ' HB3' ' A' ' 822' ' ' ARG . 2.0 t-20 -128.5 136.58 50.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 62.119999999999997 109.299 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 814' ' ' LYS . . . . . 0.41 ' HG3' ' NE1' ' A' ' 821' ' ' TRP . 14.4 ttpp . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 74.019999999999996 109.291 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.977 -0.849 . . . . 33.119999999999997 110.977 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 820' ' ' TRP . . . . . 0.743 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.4 OUTLIER -142.35 172.16 13.06 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.022 -1.103 . . . . 73.25 108.022 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 821' ' ' TRP . . . . . 0.555 ' CH2' ' HB2' ' A' ' 834' ' ' SER . 45.4 m0 -127.53 136.49 51.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 75.329999999999998 108.019 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 822' ' ' ARG . . . . . 0.417 ' HB3' ' CB ' ' A' ' 813' ' ' ASN . 5.9 tmm_? -87.92 102.37 14.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 72.340000000000003 110.297 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -121.99 -158.1 10.21 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.498 1.124 . . . . 44.210000000000001 110.99 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 824' ' ' GLU . . . . . 0.879 ' HB2' HD13 ' A' ' 829' ' ' ILE . 0.5 OUTLIER -165.66 149.61 8.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 0.787 . . . . 51.329999999999998 110.314 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 825' ' ' ILE . . . . . 0.573 HG22 ' CD2' ' A' ' 826' ' ' TYR . 2.7 mt -139.08 127.67 28.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 72.450000000000003 109.267 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 826' ' ' TYR . . . . . 0.573 ' CD2' HG22 ' A' ' 825' ' ' ILE . 3.8 m-30 61.39 16.73 7.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 74.319999999999993 111.011 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 98.5 -8.76 62.31 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.515 1.134 . . . . 73.019999999999996 111.0 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.21 118.24 23.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 0.738 . . . . 74.530000000000001 110.259 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 829' ' ' ILE . . . . . 0.879 HD13 ' HB2' ' A' ' 824' ' ' GLU . 2.5 mm -88.46 158.4 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 74.409999999999997 109.295 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 172.83 -165.37 37.71 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.49 1.119 . . . . 50.130000000000003 110.962 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 831' ' ' TRP . . . . . 0.743 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 63.3 m95 -127.77 150.36 49.84 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.995 -1.113 . . . . 73.239999999999995 107.995 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 832' ' ' PHE . . . . . 0.849 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 46.7 p90 -155.67 153.22 25.83 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 74.200000000000003 110.98 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 833' ' ' PRO . . . . . 0.493 ' HG2' ' CG ' ' A' ' 836' ' ' TYR . 18.4 Cg_endo -74.98 146.61 32.92 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.498 1.789 . . . . 72.439999999999998 111.028 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 834' ' ' SER . . . . . 0.555 ' HB2' ' CH2' ' A' ' 821' ' ' TRP . 6.9 p -82.4 3.31 28.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 74.219999999999999 110.064 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -103.98 0.37 29.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 71.030000000000001 109.333 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 836' ' ' TYR . . . . . 0.493 ' CG ' ' HG2' ' A' ' 833' ' ' PRO . 10.4 m-85 -117.21 17.99 14.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 75.209999999999994 111.044 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 837' ' ' VAL . . . . . 0.75 ' CG1' HD21 ' A' ' 803' ' ' LEU . 24.8 m -151.14 157.3 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 74.219999999999999 109.308 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 838' ' ' GLU . . . . . 0.527 ' O ' ' HB1' ' A' ' 787' ' ' ALA . 12.1 mt-10 -87.04 179.85 6.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 70.340000000000003 110.33 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 31.9 mp0 -154.96 129.96 9.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 75.230000000000004 110.284 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 30.7 t70 43.63 31.31 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 74.340000000000003 109.315 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 841' ' ' TYR . . . . . . . . . . . . . 20.4 p90 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 74.329999999999998 111.036 179.947 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.976 -0.85 . . . . 71.420000000000002 110.976 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 2.4 p -150.66 172.25 15.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 0.784 . . . . 63.329999999999998 110.372 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -143.55 117.7 9.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 54.399999999999999 109.312 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 788' ' ' LYS . . . . . 0.556 ' HB2' ' CE2' ' A' ' 841' ' ' TYR . 10.2 tttt -76.7 121.39 23.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 70.129999999999995 109.304 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 789' ' ' ALA . . . . . 0.524 ' HB2' ' CD1' ' A' ' 809' ' ' ILE . . . -64.81 134.45 54.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 75.409999999999997 109.297 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 790' ' ' ARG . . . . . 0.481 ' C ' ' CD1' ' A' ' 791' ' ' TYR . 10.3 mmt85 -115.97 0.27 13.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 62.310000000000002 110.359 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 791' ' ' TYR . . . . . 0.494 ' CD1' ' HA ' ' A' ' 836' ' ' TYR . 25.9 m-85 -144.15 137.8 27.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 75.319999999999993 111.019 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -75.38 119.56 19.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 75.310000000000002 109.309 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 793' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -128.76 113.9 15.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 63.240000000000002 110.99 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 21.4 t -85.39 139.11 31.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 74.120000000000005 108.318 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -93.18 98.58 11.38 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 64.010000000000005 109.3 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 16.9 mmt-85 -51.27 -24.92 4.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 73.25 110.285 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -151.21 178.57 9.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 75.329999999999998 109.318 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 44.2 mtp180 -73.02 -4.01 29.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 74.099999999999994 110.334 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 10.9 p -79.69 -20.64 46.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 71.120000000000005 110.012 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -105.12 149.97 25.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 64.329999999999998 110.288 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 801' ' ' LEU . . . . . 0.67 HD23 ' N ' ' A' ' 802' ' ' SER . 1.0 OUTLIER -84.42 132.63 34.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 63.520000000000003 109.284 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 802' ' ' SER . . . . . 0.67 ' N ' HD23 ' A' ' 801' ' ' LEU . 0.1 OUTLIER -71.67 100.8 2.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 71.150000000000006 110.012 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 803' ' ' LEU . . . . . 0.507 HD21 ' CG1' ' A' ' 837' ' ' VAL . 2.3 tp -97.48 146.51 25.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 55.439999999999998 109.298 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.89 111.7 2.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 73.409999999999997 109.279 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 805' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 791' ' ' TYR . 3.0 mt-10 -39.7 146.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 63.219999999999999 110.277 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 77.4 19.57 76.26 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.53 1.144 . . . . 41.100000000000001 111.031 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -126.74 163.82 22.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 0.739 . . . . 64.400000000000006 109.297 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 808' ' ' ILE . . . . . 0.765 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -108.65 148.01 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 71.230000000000004 109.293 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 809' ' ' ILE . . . . . 0.858 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.2 mp -118.83 116.29 50.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 71.25 109.261 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 810' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -75.27 113.69 12.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 63.229999999999997 109.246 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 811' ' ' ILE . . . . . . . . . . . . . 2.9 mm -72.77 113.91 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 71.310000000000002 109.264 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 812' ' ' LEU . . . . . 0.497 HD12 ' HA2' ' A' ' 823' ' ' GLY . 0.8 OUTLIER -105.07 -48.68 3.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 73.439999999999998 109.299 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -130.94 140.28 50.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 73.25 109.276 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 814' ' ' LYS . . . . . . . . . . . . . 15.9 ttpp . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.531 1.145 . . . . 72.219999999999999 109.241 -179.975 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.969 -0.852 . . . . 61.509999999999998 110.969 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 820' ' ' TRP . . . . . 0.737 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.4 OUTLIER -142.35 172.54 12.55 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.015 -1.105 . . . . 75.420000000000002 108.015 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 821' ' ' TRP . . . . . 0.56 ' O ' ' CD1' ' A' ' 832' ' ' PHE . 40.0 m0 -128.89 136.39 50.36 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.978 -1.119 . . . . 74.409999999999997 107.978 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 822' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -86.78 109.24 19.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 75.129999999999995 110.294 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 823' ' ' GLY . . . . . 0.497 ' HA2' HD12 ' A' ' 812' ' ' LEU . . . -137.77 -175.66 14.01 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.449 1.093 . . . . 44.439999999999998 111.031 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 824' ' ' GLU . . . . . 0.832 ' HB3' HD13 ' A' ' 829' ' ' ILE . 0.8 OUTLIER -141.24 167.46 22.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 0.744 . . . . 73.530000000000001 110.306 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 825' ' ' ILE . . . . . 0.465 HD11 ' CD1' ' A' ' 809' ' ' ILE . 1.9 mt -156.91 122.12 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 74.430000000000007 109.337 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 826' ' ' TYR . . . . . 0.471 ' CD1' ' N ' ' A' ' 826' ' ' TYR . 5.4 m-30 58.44 23.92 11.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 70.400000000000006 111.02 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 90.44 10.23 63.96 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.509 1.131 . . . . 55.43 110.976 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 828' ' ' ARG . . . . . 0.404 ' O ' ' HA ' ' A' ' 824' ' ' GLU . 80.7 mtt-85 -99.74 111.45 23.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 0.765 . . . . 71.420000000000002 110.313 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 829' ' ' ILE . . . . . 0.832 HD13 ' HB3' ' A' ' 824' ' ' GLU . 4.8 mm -90.49 155.14 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 71.329999999999998 109.299 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 168.66 -160.26 33.69 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.495 1.122 . . . . 70.030000000000001 111.003 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 831' ' ' TRP . . . . . 0.737 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 61.7 m95 -128.19 147.7 50.58 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.987 -1.116 . . . . 72.25 107.987 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 832' ' ' PHE . . . . . 0.858 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 32.0 p90 -150.18 151.02 30.9 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 74.239999999999995 111.011 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 148.32 35.41 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.514 1.797 . . . . 61.350000000000001 111.01 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 834' ' ' SER . . . . . 0.551 ' HB2' ' CH2' ' A' ' 821' ' ' TRP . 15.1 p -84.19 3.94 32.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 75.329999999999998 110.019 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -96.4 -11.82 25.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 70.400000000000006 109.253 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 836' ' ' TYR . . . . . 0.494 ' HA ' ' CD1' ' A' ' 791' ' ' TYR . 5.9 m-85 -113.7 27.55 9.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 73.510000000000005 110.993 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 837' ' ' VAL . . . . . 0.808 HG21 ' HE2' ' A' ' 832' ' ' PHE . 25.3 m -154.39 163.25 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 75.200000000000003 109.272 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 838' ' ' GLU . . . . . 0.42 ' HG2' ' CG ' ' A' ' 790' ' ' ARG . 59.6 mm-40 -135.23 123.99 23.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 74.450000000000003 110.345 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -113.25 155.19 25.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 64.140000000000001 110.293 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 46.8 t0 57.13 51.37 10.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 70.019999999999996 109.322 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 841' ' ' TYR . . . . . 0.556 ' CE2' ' HB2' ' A' ' 788' ' ' LYS . 28.8 p90 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 64.209999999999994 110.959 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 785' ' ' GLY . . . . . 0.457 ' O ' HG23 ' A' ' 786' ' ' THR . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 110.998 -0.841 . . . . 65.019999999999996 110.998 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 786' ' ' THR . . . . . 0.457 HG23 ' O ' ' A' ' 785' ' ' GLY . 3.2 p -153.24 170.49 20.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 0.741 . . . . 74.099999999999994 110.382 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 787' ' ' ALA . . . . . 0.715 ' CB ' HD11 ' A' ' 811' ' ' ILE . . . -144.96 107.48 4.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 71.209999999999994 109.282 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 788' ' ' LYS . . . . . 0.504 ' HB2' ' CZ ' ' A' ' 841' ' ' TYR . 36.7 tttt -66.71 130.92 44.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 73.150000000000006 109.299 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 789' ' ' ALA . . . . . 0.461 ' HB2' ' CD1' ' A' ' 809' ' ' ILE . . . -77.47 133.72 38.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 71.099999999999994 109.325 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 790' ' ' ARG . . . . . 0.495 ' C ' ' CG ' ' A' ' 791' ' ' TYR . 17.9 mmm180 -104.23 -0.12 28.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 74.150000000000006 110.281 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 791' ' ' TYR . . . . . 0.495 ' CG ' ' C ' ' A' ' 790' ' ' ARG . 32.2 m-85 -159.35 128.93 5.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 72.230000000000004 111.003 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -65.77 108.99 2.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 75.219999999999999 109.316 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 793' ' ' PHE . . . . . 0.452 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.2 t80 -98.54 123.03 42.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 75.120000000000005 111.009 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 58.5 m -87.65 124.27 33.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 62.219999999999999 108.27 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -88.19 125.49 34.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 75.439999999999998 109.293 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -98.32 -24.81 15.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 74.040000000000006 110.331 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -139.3 172.63 12.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 75.040000000000006 109.326 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -68.57 -8.54 42.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 73.219999999999999 110.259 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 60.5 p -88.89 16.35 7.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 73.510000000000005 109.98 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 800' ' ' GLU . . . . . 0.422 ' CD ' ' CE2' ' A' ' 793' ' ' PHE . 11.4 tt0 -139.79 145.88 38.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 75.420000000000002 110.293 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 801' ' ' LEU . . . . . 0.619 HD23 ' H ' ' A' ' 802' ' ' SER . 0.9 OUTLIER -101.77 136.61 41.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 73.310000000000002 109.312 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 802' ' ' SER . . . . . 0.619 ' H ' HD23 ' A' ' 801' ' ' LEU . 4.1 m -76.58 100.97 5.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 50.310000000000002 109.97 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 803' ' ' LEU . . . . . 0.493 HD11 HG12 ' A' ' 809' ' ' ILE . 0.6 OUTLIER -94.21 157.11 16.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 65.439999999999998 109.262 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 804' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 805' ' ' GLU . 0.4 OUTLIER -156.28 111.41 2.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 72.209999999999994 109.283 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 805' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 804' ' ' LYS . 5.0 mt-10 -38.91 135.0 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 54.229999999999997 110.31 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 91.47 -8.06 79.36 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.528 1.142 . . . . 72.120000000000005 110.977 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -99.8 159.28 15.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 0.789 . . . . 61.32 109.285 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 808' ' ' ILE . . . . . 0.767 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -110.36 138.03 40.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 70.340000000000003 109.287 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 809' ' ' ILE . . . . . 0.89 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.3 mp -107.17 114.87 47.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 63.409999999999997 109.29 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 810' ' ' LYS . . . . . 0.447 ' HG3' ' CD2' ' A' ' 812' ' ' LEU . 5.1 tptm -68.18 113.63 5.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 64.329999999999998 109.288 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 811' ' ' ILE . . . . . 0.715 HD11 ' CB ' ' A' ' 787' ' ' ALA . 4.3 mm -76.76 110.02 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 42.130000000000003 109.289 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 812' ' ' LEU . . . . . 0.447 ' CD2' ' HG3' ' A' ' 810' ' ' LYS . 1.3 mt -100.16 -38.08 8.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 62.030000000000001 109.288 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -141.89 140.13 32.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 41.210000000000001 109.311 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 814' ' ' LYS . . . . . 0.415 ' HG3' ' NE1' ' A' ' 821' ' ' TRP . 11.6 ttpp . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 71.439999999999998 109.29 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.966 -0.854 . . . . 53.210000000000001 110.966 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 820' ' ' TRP . . . . . 0.494 ' CE3' ' HB3' ' A' ' 831' ' ' TRP . 0.3 OUTLIER -142.34 171.44 14.05 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.974 -1.121 . . . . 73.329999999999998 107.974 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 821' ' ' TRP . . . . . 0.55 ' CH2' ' HB2' ' A' ' 834' ' ' SER . 50.3 m0 -124.49 143.25 50.76 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.955 -1.128 . . . . 75.140000000000001 107.955 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 822' ' ' ARG . . . . . 0.508 ' HG3' ' CE2' ' A' ' 831' ' ' TRP . 1.9 ttt180 -95.76 102.57 14.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 74.239999999999995 110.329 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -126.18 -165.87 12.11 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 74.319999999999993 111.009 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 824' ' ' GLU . . . . . 0.878 ' HB2' HD13 ' A' ' 829' ' ' ILE . 18.6 tt0 -156.65 158.8 37.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 0.738 . . . . 73.329999999999998 110.329 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 825' ' ' ILE . . . . . 0.49 ' N ' ' CG ' ' A' ' 824' ' ' GLU . 3.1 mt -148.22 128.18 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 75.120000000000005 109.314 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 56.96 23.1 7.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 65.209999999999994 110.974 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 88.54 14.71 61.19 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.494 1.121 . . . . 54.409999999999997 110.989 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 828' ' ' ARG . . . . . 0.48 ' CD ' ' O ' ' A' ' 825' ' ' ILE . 2.8 mpt_? -105.45 114.14 28.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.583 0.814 . . . . 74.200000000000003 110.303 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 829' ' ' ILE . . . . . 0.878 HD13 ' HB2' ' A' ' 824' ' ' GLU . 2.5 mm -87.39 153.44 3.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 72.319999999999993 109.296 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 176.43 -178.36 47.78 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.529 1.143 . . . . 51.43 111.006 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 831' ' ' TRP . . . . . 0.508 ' CE2' ' HG3' ' A' ' 822' ' ' ARG . 81.7 m95 -118.72 144.2 46.39 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.997 -1.112 . . . . 72.239999999999995 107.997 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 832' ' ' PHE . . . . . 0.89 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 35.3 p90 -151.73 151.76 29.03 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 75.219999999999999 111.034 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 148.11 34.62 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.474 1.776 . . . . 65.530000000000001 110.944 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 834' ' ' SER . . . . . 0.55 ' HB2' ' CH2' ' A' ' 821' ' ' TRP . 52.0 p -83.79 3.92 31.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 75.230000000000004 109.98 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -96.33 -10.03 28.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 70.310000000000002 109.263 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -109.88 -1.68 17.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 53.299999999999997 111.0 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 837' ' ' VAL . . . . . 0.815 HG21 ' HE2' ' A' ' 832' ' ' PHE . 33.0 m -126.38 173.69 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 62.409999999999997 109.314 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 838' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 788' ' ' LYS . 61.0 mm-40 -144.4 123.64 12.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 71.040000000000006 110.284 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.13 168.38 9.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 72.400000000000006 110.342 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 23.4 t0 40.42 46.48 2.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 73.019999999999996 109.319 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 841' ' ' TYR . . . . . 0.504 ' CZ ' ' HB2' ' A' ' 788' ' ' LYS . 37.0 p90 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 74.400000000000006 111.035 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.021 -0.832 . . . . 70.409999999999997 111.021 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 3.6 p -141.6 -178.24 5.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 0.782 . . . . 64.120000000000005 110.446 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 787' ' ' ALA . . . . . 0.59 ' HB2' HD11 ' A' ' 811' ' ' ILE . . . -148.39 110.62 4.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 71.400000000000006 109.308 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 788' ' ' LYS . . . . . 0.57 ' HB2' ' CE2' ' A' ' 841' ' ' TYR . 10.2 tttt -79.91 120.41 24.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 62.140000000000001 109.298 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 789' ' ' ALA . . . . . 0.686 ' HA ' HG12 ' A' ' 837' ' ' VAL . . . -64.87 135.33 55.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 50.310000000000002 109.294 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 790' ' ' ARG . . . . . 0.423 ' CG ' ' CD ' ' A' ' 838' ' ' GLU . 4.2 mmm180 -107.84 -6.66 16.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 74.409999999999997 110.265 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 791' ' ' TYR . . . . . 0.448 ' CA ' ' HG3' ' A' ' 805' ' ' GLU . 76.9 m-85 -141.71 135.54 29.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 75.109999999999999 111.005 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -68.2 98.41 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 71.430000000000007 109.279 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 793' ' ' PHE . . . . . 0.45 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.1 t80 -83.75 178.09 8.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 72.439999999999998 111.013 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 3.8 t -152.27 111.13 3.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 53.229999999999997 108.343 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -80.4 139.32 36.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 73.239999999999995 109.26 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 796' ' ' ARG . . . . . 0.465 ' CZ ' ' HB2' ' A' ' 797' ' ' ASP . 0.0 OUTLIER -117.15 -7.6 11.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 70.530000000000001 110.309 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 797' ' ' ASP . . . . . 0.465 ' HB2' ' CZ ' ' A' ' 796' ' ' ARG . 25.4 t70 -154.22 163.81 39.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 62.200000000000003 109.286 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 36.3 ptt-85 -64.96 -18.53 65.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 75.239999999999995 110.268 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 52.1 p -73.94 -8.42 56.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 72.420000000000002 110.007 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -118.16 151.66 37.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 74.200000000000003 110.317 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 801' ' ' LEU . . . . . 0.637 HD11 ' N ' ' A' ' 824' ' ' GLU . 0.8 OUTLIER -101.1 138.47 38.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 73.049999999999997 109.313 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 802' ' ' SER . . . . . 0.635 ' H ' HD23 ' A' ' 801' ' ' LEU . 0.4 OUTLIER -77.93 104.24 8.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 74.430000000000007 110.003 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 803' ' ' LEU . . . . . 0.849 HD11 HG12 ' A' ' 809' ' ' ILE . 2.2 mp -101.14 151.27 22.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 63.329999999999998 109.278 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -156.8 118.63 3.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 74.099999999999994 109.265 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 805' ' ' GLU . . . . . 0.448 ' HG3' ' CA ' ' A' ' 791' ' ' TYR . 4.8 mt-10 -39.15 135.3 0.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 72.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 85.5 4.93 85.33 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.528 1.143 . . . . 73.329999999999998 111.0 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -107.62 158.06 17.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 0.768 . . . . 73.430000000000007 109.277 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 808' ' ' ILE . . . . . 0.731 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -109.85 147.09 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 72.140000000000001 109.328 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 809' ' ' ILE . . . . . 0.894 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.6 mp -118.63 115.97 49.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 55.039999999999999 109.274 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 810' ' ' LYS . . . . . . . . . . . . . 6.8 tptm -71.87 112.07 7.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 73.5 109.319 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 811' ' ' ILE . . . . . 0.59 HD11 ' HB2' ' A' ' 787' ' ' ALA . 15.8 mm -70.35 121.05 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 72.129999999999995 109.306 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 812' ' ' LEU . . . . . . . . . . . . . 2.2 mt -113.09 -48.02 3.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 72.239999999999995 109.28 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -124.28 151.25 44.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 74.099999999999994 109.258 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 814' ' ' LYS . . . . . 0.565 ' HA ' ' CD1' ' A' ' 821' ' ' TRP . 9.5 mttm . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 75.540000000000006 109.359 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.988 -0.845 . . . . 63.149999999999999 110.988 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 820' ' ' TRP . . . . . 0.587 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.34 172.56 12.53 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.987 -1.116 . . . . 75.510000000000005 107.987 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 821' ' ' TRP . . . . . 0.565 ' CD1' ' HA ' ' A' ' 814' ' ' LYS . 11.9 m0 -131.41 144.69 51.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 74.310000000000002 107.99 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 822' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -90.23 132.56 35.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 71.310000000000002 110.335 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -152.23 -155.51 7.08 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.558 1.161 . . . . 63.030000000000001 111.028 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 824' ' ' GLU . . . . . 0.916 ' HB2' HD13 ' A' ' 829' ' ' ILE . 18.2 tt0 -167.45 156.79 10.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 0.746 . . . . 52.340000000000003 110.292 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 825' ' ' ILE . . . . . 0.578 HG23 ' CE1' ' A' ' 826' ' ' TYR . 2.3 mt -147.39 124.13 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 65.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 826' ' ' TYR . . . . . 0.578 ' CE1' HG23 ' A' ' 825' ' ' ILE . 3.2 m-30 61.72 19.16 10.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 75.140000000000001 110.985 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 96.73 -2.98 62.61 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.52 1.138 . . . . 73.239999999999995 111.043 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 828' ' ' ARG . . . . . 0.462 ' CD ' ' HB2' ' A' ' 826' ' ' TYR . 1.8 mpt_? -88.35 115.31 25.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.742 . . . . 74.400000000000006 110.287 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 829' ' ' ILE . . . . . 0.916 HD13 ' HB2' ' A' ' 824' ' ' GLU . 2.9 mm -87.42 155.01 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 55.420000000000002 109.332 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 173.15 -163.56 35.2 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.499 1.124 . . . . 74.409999999999997 111.006 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 831' ' ' TRP . . . . . 0.587 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 43.3 m95 -128.97 170.67 13.17 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.039 -1.097 . . . . 75.209999999999994 108.039 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 832' ' ' PHE . . . . . 0.894 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 29.0 p90 -175.14 152.3 1.44 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.125 . . . . 71.099999999999994 111.011 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 146.79 33.17 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.779 . . . . 62.420000000000002 111.01 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 11.1 p -85.0 3.86 36.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 71.010000000000005 110.003 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -100.59 -3.83 29.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 51.140000000000001 109.282 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -110.8 -4.81 15.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.117 . . . . 74.409999999999997 111.023 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 837' ' ' VAL . . . . . 0.775 HG21 ' HE2' ' A' ' 832' ' ' PHE . 29.1 m -128.63 166.32 26.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 60.329999999999998 109.293 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 838' ' ' GLU . . . . . 0.423 ' CD ' ' CG ' ' A' ' 790' ' ' ARG . 33.2 mt-10 -111.54 133.18 54.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 71.420000000000002 110.317 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 839' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 841' ' ' TYR . 0.3 OUTLIER -109.84 142.53 41.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 74.349999999999994 110.317 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 840' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 839' ' ' GLU . 23.7 t0 40.0 29.87 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 70.209999999999994 109.308 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 841' ' ' TYR . . . . . 0.57 ' CE2' ' HB2' ' A' ' 788' ' ' LYS . 2.1 p90 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 71.230000000000004 111.015 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 110.967 -0.853 . . . . 62.310000000000002 110.967 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 2.6 p -138.27 -179.06 5.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 0.787 . . . . 73.140000000000001 110.407 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 787' ' ' ALA . . . . . 0.554 ' HB2' HD11 ' A' ' 811' ' ' ILE . . . -150.34 104.71 3.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 73.450000000000003 109.294 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 788' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -74.31 114.08 12.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 74.140000000000001 109.335 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -58.99 126.78 29.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 64.439999999999998 109.309 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 790' ' ' ARG . . . . . 0.443 ' C ' ' CD1' ' A' ' 791' ' ' TYR . 14.0 mmt180 -107.01 -3.1 20.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 75.219999999999999 110.355 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 791' ' ' TYR . . . . . 0.443 ' CD1' ' C ' ' A' ' 790' ' ' ARG . 75.9 m-85 -153.33 128.26 9.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 73.219999999999999 111.022 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 792' ' ' ASP . . . . . 0.404 ' OD2' ' N ' ' A' ' 792' ' ' ASP . 16.7 p-10 -64.77 109.86 2.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 71.340000000000003 109.32 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 793' ' ' PHE . . . . . 0.558 ' CZ ' ' HG3' ' A' ' 833' ' ' PRO . 4.5 t80 -102.94 132.02 49.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 73.310000000000002 110.997 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 34.6 m -88.09 127.64 35.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 73.219999999999999 108.316 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 795' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 796' ' ' ARG . . . -82.2 103.43 11.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 64.450000000000003 109.303 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 796' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 795' ' ' ALA . 12.1 ptm180 -38.94 -34.89 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 72.519999999999996 110.352 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -157.06 174.69 15.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 71.329999999999998 109.286 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 4.2 tpt85 -59.09 -25.95 64.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 72.319999999999993 110.322 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.94 -21.58 64.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 61.229999999999997 109.995 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -97.25 146.21 25.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 63.219999999999999 110.304 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 801' ' ' LEU . . . . . 0.507 HD13 ' N ' ' A' ' 830' ' ' GLY . 4.0 tp -84.31 133.03 34.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.153 . . . . 71.409999999999997 109.318 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 9.4 t -94.98 122.32 37.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 73.519999999999996 110.008 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 803' ' ' LEU . . . . . 0.452 ' HB2' ' CB ' ' A' ' 793' ' ' PHE . 0.2 OUTLIER -96.08 160.48 14.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 63.530000000000001 109.277 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 804' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 805' ' ' GLU . 0.6 OUTLIER -157.34 110.62 2.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 73.230000000000004 109.317 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 805' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 791' ' ' TYR . 4.6 mt-10 -38.86 136.63 0.74 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 72.439999999999998 110.304 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 86.34 6.06 81.65 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.496 1.123 . . . . 44.520000000000003 111.01 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -109.43 157.16 19.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 0.787 . . . . 75.439999999999998 109.228 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 808' ' ' ILE . . . . . 0.771 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -109.58 138.73 35.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.528 1.142 . . . . 64.549999999999997 109.284 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 809' ' ' ILE . . . . . 0.88 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 2.1 mp -116.13 117.23 54.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.425 1.078 . . . . 41.310000000000002 109.315 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 810' ' ' LYS . . . . . . . . . . . . . 5.3 tptm -76.23 114.21 14.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 73.209999999999994 109.261 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 811' ' ' ILE . . . . . 0.554 HD11 ' HB2' ' A' ' 787' ' ' ALA . 2.9 mm -70.2 124.36 26.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 71.400000000000006 109.333 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 812' ' ' LEU . . . . . 0.482 HD12 ' CA ' ' A' ' 823' ' ' GLY . 1.4 mt -116.23 -43.66 2.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 75.430000000000007 109.278 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -132.78 157.81 44.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 55.030000000000001 109.315 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 814' ' ' LYS . . . . . 0.415 ' HD3' ' NE1' ' A' ' 821' ' ' TRP . 13.6 mttt . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 74.120000000000005 109.292 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.066 0 N-CA-C 111.004 -0.838 . . . . 72.150000000000006 111.004 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 820' ' ' TRP . . . . . 0.542 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.47 172.05 13.22 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.021 -1.103 . . . . 74.140000000000001 108.021 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 821' ' ' TRP . . . . . 0.559 ' CZ3' ' HB2' ' A' ' 834' ' ' SER . 40.4 m0 -131.42 132.54 44.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 70.239999999999995 108.03 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 822' ' ' ARG . . . . . 0.496 ' HG3' ' CE2' ' A' ' 831' ' ' TRP . 27.3 ttt180 -90.36 113.15 24.98 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 63.240000000000002 110.269 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 823' ' ' GLY . . . . . 0.482 ' CA ' HD12 ' A' ' 812' ' ' LEU . . . -132.51 -151.54 6.76 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.493 1.121 . . . . 63.329999999999998 111.03 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 824' ' ' GLU . . . . . 0.866 ' HB2' HD13 ' A' ' 829' ' ' ILE . 15.6 tt0 -164.23 156.87 17.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 0.736 . . . . 55.130000000000003 110.319 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 825' ' ' ILE . . . . . 0.537 HG22 ' CD2' ' A' ' 826' ' ' TYR . 2.0 mt -152.86 128.19 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 54.210000000000001 109.291 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 826' ' ' TYR . . . . . 0.537 ' CD2' HG22 ' A' ' 825' ' ' ILE . 4.3 m-30 60.73 22.48 12.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 73.099999999999994 110.956 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 89.29 4.94 73.37 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.517 1.136 . . . . 75.340000000000003 111.018 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 828' ' ' ARG . . . . . 0.435 ' O ' ' HA ' ' A' ' 824' ' ' GLU . 65.8 mtt-85 -95.85 119.04 33.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 0.772 . . . . 71.25 110.311 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 829' ' ' ILE . . . . . 0.866 HD13 ' HB2' ' A' ' 824' ' ' GLU . 2.6 mm -92.75 159.2 2.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 74.109999999999999 109.293 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 830' ' ' GLY . . . . . 0.507 ' N ' HD13 ' A' ' 801' ' ' LEU . . . 164.77 -158.7 31.56 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.481 1.113 . . . . 64.310000000000002 110.994 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 831' ' ' TRP . . . . . 0.542 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 52.1 m95 -130.26 174.78 9.5 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.983 -1.117 . . . . 73.329999999999998 107.983 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 832' ' ' PHE . . . . . 0.88 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 41.0 p90 -178.33 154.43 0.91 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 75.329999999999998 110.996 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 833' ' ' PRO . . . . . 0.558 ' HG3' ' CZ ' ' A' ' 793' ' ' PHE . 18.5 Cg_endo -74.93 146.19 32.65 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.519 1.8 . . . . 55.5 111.009 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 834' ' ' SER . . . . . 0.745 ' HA ' HG22 ' A' ' 837' ' ' VAL . 54.3 p -83.75 -8.74 59.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 71.239999999999995 110.028 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 835' ' ' ASN . . . . . 0.41 ' N ' ' OD1' ' A' ' 835' ' ' ASN . 0.7 OUTLIER -77.88 -13.9 59.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 64.129999999999995 109.326 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 836' ' ' TYR . . . . . 0.46 ' C ' HG13 ' A' ' 837' ' ' VAL . 15.9 m-85 -114.68 25.39 11.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 75.129999999999995 111.024 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 837' ' ' VAL . . . . . 0.745 HG22 ' HA ' ' A' ' 834' ' ' SER . 13.9 m -153.95 168.24 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 73.040000000000006 109.28 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 838' ' ' GLU . . . . . 0.401 ' O ' ' HA ' ' A' ' 787' ' ' ALA . 12.3 mt-10 -116.52 171.22 7.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 53.340000000000003 110.27 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 839' ' ' GLU . . . . . 0.546 ' HG3' ' CZ3' ' A' ' 821' ' ' TRP . 3.6 mm-40 -148.18 140.06 23.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 71.150000000000006 110.293 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 33.2 t70 46.23 26.04 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 75.439999999999998 109.282 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 841' ' ' TYR . . . . . 0.406 ' N ' ' C ' ' A' ' 839' ' ' GLU . 16.3 p90 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 73.030000000000001 111.002 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 110.982 -0.847 . . . . 41.409999999999997 110.982 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 781' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -26.93 10.45 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.551 1.816 . . . . 73.420000000000002 111.031 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 782' ' ' GLY . . . . . . . . . . . . . . . 52.54 172.67 0.03 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.486 1.116 . . . . 54.210000000000001 111.011 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 783' ' ' THR . . . . . . . . . . . . . 64.2 m -87.8 117.62 26.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 0.779 . . . . 74.140000000000001 110.401 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 784' ' ' PHE . . . . . 0.426 ' CZ ' ' HD2' ' A' ' 814' ' ' LYS . 34.3 m-85 -85.61 -60.56 1.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 72.040000000000006 111.013 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 785' ' ' GLY . . . . . 0.468 ' O ' HG23 ' A' ' 786' ' ' THR . . . 161.82 -100.24 0.18 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.485 1.115 . . . . 72.340000000000003 110.991 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 786' ' ' THR . . . . . 0.468 HG23 ' O ' ' A' ' 785' ' ' GLY . 6.7 p -153.88 174.45 14.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.757 . . . . 73.0 110.354 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 787' ' ' ALA . . . . . 0.664 ' HB2' HD11 ' A' ' 811' ' ' ILE . . . -140.74 108.52 5.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 64.010000000000005 109.289 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 788' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -75.05 118.35 17.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 44.439999999999998 109.325 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -62.3 142.55 57.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 64.510000000000005 109.378 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 790' ' ' ARG . . . . . 0.439 ' HG3' ' CG ' ' A' ' 838' ' ' GLU . 14.0 mmt85 -116.6 -2.3 11.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 64.140000000000001 110.291 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 791' ' ' TYR . . . . . 0.421 ' CA ' ' HG3' ' A' ' 805' ' ' GLU . 81.4 m-85 -145.25 133.71 21.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 70.439999999999998 110.994 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -67.7 98.14 0.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 61.100000000000001 109.265 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 793' ' ' PHE . . . . . 0.459 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.2 t80 -84.86 173.97 10.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 75.099999999999994 110.964 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 64.6 m -152.36 105.7 3.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 73.430000000000007 108.26 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -68.14 118.53 11.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 53.32 109.305 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -87.18 -12.15 47.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 71.209999999999994 110.291 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -134.67 -172.83 3.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 73.420000000000002 109.3 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.29 -13.54 23.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 61.549999999999997 110.245 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 44.5 p -87.72 -6.46 58.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 61.32 109.948 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -100.4 149.59 23.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 75.310000000000002 110.302 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 801' ' ' LEU . . . . . 0.612 HD23 ' H ' ' A' ' 802' ' ' SER . 0.9 OUTLIER -87.52 137.46 32.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 55.310000000000002 109.296 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 802' ' ' SER . . . . . 0.612 ' H ' HD23 ' A' ' 801' ' ' LEU . 1.5 p -86.8 96.54 10.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 61.420000000000002 109.984 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 803' ' ' LEU . . . . . 0.832 HD11 HG12 ' A' ' 809' ' ' ILE . 0.9 OUTLIER -89.46 159.59 17.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 55.43 109.345 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -162.74 117.37 1.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 61.100000000000001 109.302 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 805' ' ' GLU . . . . . 0.421 ' HG3' ' CA ' ' A' ' 791' ' ' TYR . 5.5 mt-10 -41.95 138.12 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 72.400000000000006 110.274 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 83.67 8.1 85.09 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.538 1.149 . . . . 72.209999999999994 111.008 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -113.85 163.04 15.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 63.119999999999997 109.334 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 808' ' ' ILE . . . . . 0.6 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -113.95 146.06 19.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 74.230000000000004 109.263 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 809' ' ' ILE . . . . . 0.944 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.7 mp -113.74 114.75 47.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 74.200000000000003 109.294 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 810' ' ' LYS . . . . . 0.42 ' HD2' ' N ' ' A' ' 811' ' ' ILE . 13.4 tptt -68.81 114.91 7.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 63.450000000000003 109.343 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 811' ' ' ILE . . . . . 0.664 HD11 ' HB2' ' A' ' 787' ' ' ALA . 3.1 mm -73.7 130.83 35.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 75.519999999999996 109.284 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 812' ' ' LEU . . . . . 0.425 HD21 ' OE1' ' A' ' 824' ' ' GLU . 1.7 mt -121.19 -44.13 2.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 74.25 109.301 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -141.52 152.23 43.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.165 . . . . 75.439999999999998 109.261 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 814' ' ' LYS . . . . . 0.563 ' HG2' ' CD1' ' A' ' 821' ' ' TRP . 19.1 mttp -131.94 90.84 2.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 61.25 109.309 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 815' ' ' LYS . . . . . 0.476 ' HA ' ' CE ' ' A' ' 815' ' ' LYS . 0.2 OUTLIER -43.35 -34.85 1.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.175 . . . . 73.540000000000006 109.352 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 816' ' ' GLY . . . . . . . . . . . . . . . 168.49 -166.09 39.32 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 74.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -90.66 18.01 6.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 0.779 . . . . 71.030000000000001 110.273 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -157.39 136.32 11.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 63.5 110.3 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . 118.16 -109.26 1.76 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.456 1.097 . . . . 23.530000000000001 110.971 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 820' ' ' TRP . . . . . 0.516 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.33 172.67 12.37 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.026 -1.101 . . . . 75.349999999999994 108.026 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 821' ' ' TRP . . . . . 0.563 ' CD1' ' HG2' ' A' ' 814' ' ' LYS . 15.6 m0 -128.02 147.29 50.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 72.349999999999994 108.018 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 822' ' ' ARG . . . . . . . . . . . . . 6.6 ttm-85 -97.89 116.05 29.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 65.040000000000006 110.279 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -144.2 -172.26 14.76 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.491 1.119 . . . . 62.340000000000003 111.01 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 824' ' ' GLU . . . . . 0.77 ' HB3' HD13 ' A' ' 829' ' ' ILE . 0.7 OUTLIER -143.41 167.81 21.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.774 . . . . 73.230000000000004 110.258 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 825' ' ' ILE . . . . . 0.454 HD11 ' CD1' ' A' ' 809' ' ' ILE . 2.2 mt -157.39 123.18 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 72.209999999999994 109.282 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 8.3 m-30 57.85 20.9 7.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 74.519999999999996 111.012 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 92.55 13.78 56.47 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.463 1.102 . . . . 73.319999999999993 111.018 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 828' ' ' ARG . . . . . 0.403 ' O ' ' HA ' ' A' ' 824' ' ' GLU . 77.0 mtt180 -104.93 111.71 24.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 0.751 . . . . 73.219999999999999 110.272 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 829' ' ' ILE . . . . . 0.77 HD13 ' HB3' ' A' ' 824' ' ' GLU . 3.4 mm -88.29 155.13 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.11 . . . . 75.129999999999995 109.301 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 169.54 -169.7 42.2 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 30.100000000000001 110.988 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 831' ' ' TRP . . . . . 0.516 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 73.2 m95 -120.89 150.85 40.42 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.018 -1.105 . . . . 73.010000000000005 108.018 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 832' ' ' PHE . . . . . 0.944 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 30.5 p90 -153.81 152.44 26.99 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 64.340000000000003 111.009 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 147.93 34.69 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.465 1.771 . . . . 71.140000000000001 111.026 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 834' ' ' SER . . . . . 0.689 ' HA ' HG22 ' A' ' 837' ' ' VAL . 7.4 t -89.69 3.88 51.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 52.420000000000002 109.996 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -94.28 -13.46 26.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 70.400000000000006 109.278 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -110.52 -2.09 16.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 65.140000000000001 110.978 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 837' ' ' VAL . . . . . 0.819 HG21 ' HE2' ' A' ' 832' ' ' PHE . 13.8 m -125.97 169.61 17.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 60.210000000000001 109.305 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 838' ' ' GLU . . . . . 0.439 ' CG ' ' HG3' ' A' ' 790' ' ' ARG . 6.1 mm-40 -137.23 124.7 22.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 60.210000000000001 110.325 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.37 175.2 5.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 74.310000000000002 110.294 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 32.6 t70 40.55 51.64 2.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 70.129999999999995 109.299 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 841' ' ' TYR . . . . . 0.541 ' CD1' ' N ' ' A' ' 842' ' ' SER . 22.9 p90 -104.23 -36.99 7.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 74.129999999999995 111.015 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 842' ' ' SER . . . . . 0.541 ' N ' ' CD1' ' A' ' 841' ' ' TYR . 18.9 p -153.51 165.45 35.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 60.109999999999999 110.01 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -111.01 165.23 12.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 74.129999999999995 110.332 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 844' ' ' TYR . . . . . 0.401 ' O ' ' CG ' ' A' ' 844' ' ' TYR . 1.5 t80 -122.22 57.74 1.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 73.120000000000005 111.024 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 845' ' ' LEU . . . . . 0.481 HD13 ' HA ' ' A' ' 845' ' ' LEU . 2.3 mm? -46.42 156.49 0.49 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 44.439999999999998 109.295 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 846' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 167.68 26.52 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.492 1.785 . . . . 63.310000000000002 111.002 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -66.99 158.86 29.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 74.219999999999999 110.305 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 848' ' ' THR . . . . . . . . . . . . . 6.2 p . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 63.439999999999998 110.415 -179.96 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 110.999 -0.841 . . . . 55.100000000000001 110.999 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 781' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 74.91 3.86 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.533 1.807 . . . . 74.239999999999995 110.959 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 782' ' ' GLY . . . . . . . . . . . . . . . -175.46 56.24 0.12 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.525 1.141 . . . . 65.209999999999994 110.996 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 783' ' ' THR . . . . . . . . . . . . . 92.3 m -81.85 143.68 31.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 0.791 . . . . 71.310000000000002 110.365 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 784' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -57.29 -74.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 73.230000000000004 111.015 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 785' ' ' GLY . . . . . 0.549 ' O ' HG23 ' A' ' 786' ' ' THR . . . 129.68 -51.74 0.85 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.442 1.089 . . . . 55.020000000000003 110.973 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 786' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 785' ' ' GLY . 2.3 p -155.66 170.71 21.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 0.742 . . . . 75.519999999999996 110.373 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 787' ' ' ALA . . . . . 0.663 ' HB2' HD11 ' A' ' 811' ' ' ILE . . . -144.92 110.19 5.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 75.349999999999994 109.356 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 788' ' ' LYS . . . . . 0.559 ' HB2' ' CE2' ' A' ' 841' ' ' TYR . 11.9 tttt -73.38 116.12 13.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 52.149999999999999 109.331 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 789' ' ' ALA . . . . . 0.54 ' HB2' ' CD1' ' A' ' 809' ' ' ILE . . . -60.41 133.56 56.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 40.119999999999997 109.27 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 790' ' ' ARG . . . . . 0.459 ' CG ' ' HG3' ' A' ' 838' ' ' GLU . 6.1 mmp_? -107.34 -5.37 17.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 74.319999999999993 110.36 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 791' ' ' TYR . . . . . 0.449 ' CA ' ' HG3' ' A' ' 805' ' ' GLU . 71.7 m-85 -153.42 128.43 9.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.112 . . . . 72.340000000000003 110.99 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.16 108.39 1.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 70.400000000000006 109.28 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 793' ' ' PHE . . . . . 0.447 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.2 t80 -98.82 116.22 30.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 63.219999999999999 110.994 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 4.3 m -82.52 113.51 20.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 74.329999999999998 108.305 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -74.96 105.0 5.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 65.120000000000005 109.308 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -53.39 -22.94 8.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 72.319999999999993 110.315 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -161.12 178.97 8.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 74.209999999999994 109.324 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 54.8 mtp85 -67.43 -10.11 48.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 60.32 110.295 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 57.4 p -74.13 -10.15 59.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 70.219999999999999 110.034 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -120.98 159.91 24.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 55.32 110.257 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 801' ' ' LEU . . . . . 0.62 HD23 ' H ' ' A' ' 802' ' ' SER . 0.9 OUTLIER -94.87 137.62 33.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 70.25 109.296 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 802' ' ' SER . . . . . 0.62 ' H ' HD23 ' A' ' 801' ' ' LEU . 1.0 OUTLIER -83.44 105.82 14.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 65.340000000000003 109.946 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 803' ' ' LEU . . . . . 0.527 HD21 ' HB2' ' A' ' 832' ' ' PHE . 0.9 OUTLIER -98.32 156.01 16.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 65.420000000000002 109.276 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 804' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 805' ' ' GLU . 1.0 OUTLIER -155.95 113.09 3.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 63.340000000000003 109.287 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 805' ' ' GLU . . . . . 0.449 ' HG3' ' CA ' ' A' ' 791' ' ' TYR . 7.1 mt-10 -38.79 133.68 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 72.040000000000006 110.298 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 89.85 -1.82 81.32 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.513 1.133 . . . . 71.430000000000007 110.979 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -102.09 164.49 11.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 0.79 . . . . 71.219999999999999 109.322 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 808' ' ' ILE . . . . . 0.674 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -113.55 145.55 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 52.020000000000003 109.322 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 809' ' ' ILE . . . . . 0.921 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.4 mp -115.86 115.66 49.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 54.140000000000001 109.328 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 810' ' ' LYS . . . . . 0.412 ' HD2' ' N ' ' A' ' 811' ' ' ILE . 5.6 tptm -70.02 114.22 7.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 63.229999999999997 109.281 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 811' ' ' ILE . . . . . 0.663 HD11 ' HB2' ' A' ' 787' ' ' ALA . 12.2 mm -73.95 117.18 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 73.219999999999999 109.315 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 812' ' ' LEU . . . . . . . . . . . . . 1.2 mt -106.94 -53.38 2.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 75.200000000000003 109.295 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -124.71 164.54 19.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 64.319999999999993 109.299 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 814' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? -133.42 82.99 2.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 54.329999999999998 109.317 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 815' ' ' LYS . . . . . 0.46 ' HA ' ' CE ' ' A' ' 815' ' ' LYS . 0.3 OUTLIER -73.75 90.16 1.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 72.040000000000006 109.261 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 816' ' ' GLY . . . . . . . . . . . . . . . 59.56 147.99 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.491 1.119 . . . . 54.32 111.017 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -73.28 -17.45 61.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 0.763 . . . . 71.319999999999993 110.317 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -119.63 75.17 1.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 53.43 110.297 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . -173.17 -109.15 0.22 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.544 1.153 . . . . 62.130000000000003 111.041 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 820' ' ' TRP . . . . . 0.554 ' CE3' ' HB3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.37 172.75 12.27 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.021 -1.103 . . . . 73.239999999999995 108.021 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 821' ' ' TRP . . . . . 0.557 ' CH2' ' OG ' ' A' ' 834' ' ' SER . 41.8 m0 -128.06 144.72 51.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 71.510000000000005 108.008 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 822' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -94.64 103.38 15.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 51.439999999999998 110.32 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 823' ' ' GLY . . . . . 0.486 ' C ' HD11 ' A' ' 801' ' ' LEU . . . -130.09 -174.58 13.74 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.532 1.145 . . . . 73.510000000000005 110.983 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 824' ' ' GLU . . . . . 0.806 ' HB3' HD13 ' A' ' 829' ' ' ILE . 1.6 pt-20 -143.46 168.7 19.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 0.786 . . . . 72.349999999999994 110.31 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 825' ' ' ILE . . . . . 0.454 HD11 ' CD1' ' A' ' 809' ' ' ILE . 2.3 mt -156.37 123.62 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 71.109999999999999 109.318 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 826' ' ' TYR . . . . . 0.445 ' CD1' ' N ' ' A' ' 826' ' ' TYR . 5.4 m-30 58.98 20.2 7.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 75.150000000000006 111.048 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 93.54 11.3 58.33 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.5 1.125 . . . . 71.109999999999999 110.997 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 828' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' A' ' 824' ' ' GLU . 22.2 mtp180 -103.48 113.6 27.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 0.761 . . . . 75.510000000000005 110.26 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 829' ' ' ILE . . . . . 0.806 HD13 ' HB3' ' A' ' 824' ' ' GLU . 3.6 mm -88.04 157.05 3.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 70.030000000000001 109.315 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 171.51 -170.29 43.21 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.473 1.108 . . . . 53.329999999999998 110.991 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 831' ' ' TRP . . . . . 0.554 ' HB3' ' CE3' ' A' ' 820' ' ' TRP . 81.3 m95 -120.83 146.89 46.08 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.056 -1.09 . . . . 73.239999999999995 108.056 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 832' ' ' PHE . . . . . 0.921 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 30.9 p90 -153.57 152.39 27.22 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 72.450000000000003 110.988 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 148.31 35.29 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.46 1.769 . . . . 72.140000000000001 111.008 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 834' ' ' SER . . . . . 0.557 ' OG ' ' CH2' ' A' ' 821' ' ' TRP . 6.4 t -87.49 3.9 45.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 71.239999999999995 110.003 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -99.8 -9.95 22.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 75.129999999999995 109.304 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -107.38 -4.62 18.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 73.329999999999998 111.009 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 837' ' ' VAL . . . . . 0.818 HG21 ' HE2' ' A' ' 832' ' ' PHE . 15.6 m -119.28 178.74 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 74.319999999999993 109.329 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 838' ' ' GLU . . . . . 0.459 ' HG3' ' CG ' ' A' ' 790' ' ' ARG . 7.3 mt-10 -111.72 173.17 6.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 75.329999999999998 110.302 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 839' ' ' GLU . . . . . 0.434 ' C ' ' N ' ' A' ' 841' ' ' TYR . 11.1 mp0 -149.79 131.66 15.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 72.109999999999999 110.293 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 30.6 t70 40.61 29.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 64.219999999999999 109.286 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 841' ' ' TYR . . . . . 0.559 ' CE2' ' HB2' ' A' ' 788' ' ' LYS . 21.1 p90 -55.32 -36.28 66.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 65.420000000000002 111.05 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 842' ' ' SER . . . . . 0.414 ' N ' ' CD1' ' A' ' 841' ' ' TYR . 9.3 p -156.39 134.67 11.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 62.32 109.971 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -162.17 131.03 4.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 71.239999999999995 110.279 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 844' ' ' TYR . . . . . . . . . . . . . 5.8 t80 51.82 54.35 11.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 71.319999999999993 110.983 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 845' ' ' LEU . . . . . . . . . . . . . 27.4 mt -61.16 158.55 35.15 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 65.310000000000002 109.267 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 846' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -166.95 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.459 1.768 . . . . 65.329999999999998 110.984 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -81.26 82.18 7.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 72.030000000000001 110.318 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 848' ' ' THR . . . . . . . . . . . . . 5.0 m . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 73.099999999999994 110.372 -179.967 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.001 -0.84 . . . . 62.340000000000003 111.001 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 781' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -47.7 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.532 1.806 . . . . 74.319999999999993 111.039 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 782' ' ' GLY . . . . . . . . . . . . . . . 107.37 83.4 1.57 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.49 1.119 . . . . 64.510000000000005 110.96 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 783' ' ' THR . . . . . 0.553 HG22 ' CD2' ' A' ' 784' ' ' PHE . 2.6 m -66.54 -63.88 0.98 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 0.768 . . . . 74.150000000000006 110.404 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 784' ' ' PHE . . . . . 0.553 ' CD2' HG22 ' A' ' 783' ' ' THR . 95.1 m-85 -101.76 -69.45 0.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 70.129999999999995 110.985 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . 169.27 -106.25 0.24 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.508 1.13 . . . . 52.030000000000001 111.032 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 4.7 p -148.76 175.74 10.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 70.219999999999999 110.405 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 787' ' ' ALA . . . . . 0.474 ' HB2' HD11 ' A' ' 811' ' ' ILE . . . -143.7 110.34 5.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 54.409999999999997 109.264 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 788' ' ' LYS . . . . . 0.557 ' HB2' ' CE2' ' A' ' 841' ' ' TYR . 10.4 tttt -74.79 115.74 14.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 63.240000000000002 109.275 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -53.92 135.62 42.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 64.049999999999997 109.269 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 790' ' ' ARG . . . . . 0.467 ' CG ' ' HG3' ' A' ' 838' ' ' GLU . 17.3 mmt180 -108.4 -5.79 16.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 64.5 110.31 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 791' ' ' TYR . . . . . 0.436 ' CA ' ' HG3' ' A' ' 805' ' ' GLU . 95.0 m-85 -144.86 135.68 24.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 74.329999999999998 110.953 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -68.5 96.71 0.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 75.340000000000003 109.278 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 793' ' ' PHE . . . . . 0.441 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.1 t80 -84.07 174.78 10.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 63.100000000000001 110.99 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 34.9 t -152.28 109.29 3.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 71.099999999999994 108.274 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -75.01 137.41 41.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 53.119999999999997 109.323 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 796' ' ' ARG . . . . . 0.421 ' HD3' ' N ' ' A' ' 797' ' ' ASP . 0.0 OUTLIER -117.28 -9.38 10.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 73.409999999999997 110.299 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 797' ' ' ASP . . . . . 0.421 ' N ' ' HD3' ' A' ' 796' ' ' ARG . 15.6 t0 -143.88 166.8 23.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 73.430000000000007 109.26 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 17.2 mmt85 -73.79 -8.02 54.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 54.549999999999997 110.27 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 84.9 p -92.36 12.33 22.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 34.310000000000002 109.958 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -129.97 151.78 50.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 74.109999999999999 110.249 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 801' ' ' LEU . . . . . 0.615 HD23 ' H ' ' A' ' 802' ' ' SER . 0.9 OUTLIER -100.6 137.56 38.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 73.129999999999995 109.31 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 802' ' ' SER . . . . . 0.615 ' H ' HD23 ' A' ' 801' ' ' LEU . 0.6 OUTLIER -78.15 104.87 9.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 73.409999999999997 110.004 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 803' ' ' LEU . . . . . 0.862 HD11 HG12 ' A' ' 809' ' ' ILE . 1.2 mp -102.97 150.14 23.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 71.340000000000003 109.281 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -155.69 117.44 4.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 71.200000000000003 109.342 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 805' ' ' GLU . . . . . 0.436 ' HG3' ' CA ' ' A' ' 791' ' ' TYR . 9.8 mt-10 -39.16 134.42 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 61.140000000000001 110.274 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 88.87 -0.16 82.0 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.516 1.135 . . . . 75.230000000000004 110.986 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 807' ' ' ASP . . . . . 0.403 ' O ' ' HA ' ' A' ' 788' ' ' LYS . 2.3 m-20 -103.39 158.34 16.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.77 . . . . 73.340000000000003 109.298 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 808' ' ' ILE . . . . . 0.712 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -108.42 141.27 24.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 71.430000000000007 109.318 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 809' ' ' ILE . . . . . 0.949 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.6 mp -112.15 115.4 49.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 75.430000000000007 109.308 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 810' ' ' LYS . . . . . 0.441 ' HG3' HD21 ' A' ' 812' ' ' LEU . 5.9 tptm -71.59 114.23 9.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 74.150000000000006 109.273 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 811' ' ' ILE . . . . . 0.474 HD11 ' HB2' ' A' ' 787' ' ' ALA . 19.3 mm -76.61 128.58 37.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 72.120000000000005 109.342 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 812' ' ' LEU . . . . . 0.441 HD21 ' HG3' ' A' ' 810' ' ' LYS . 0.8 OUTLIER -119.31 -41.29 2.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 71.040000000000006 109.335 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -137.5 149.65 46.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 64.519999999999996 109.312 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 814' ' ' LYS . . . . . 0.519 ' HA ' ' CD1' ' A' ' 821' ' ' TRP . 19.3 mttm -129.42 91.28 3.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 74.420000000000002 109.286 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 9.6 mmmm -42.19 135.72 2.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 73.510000000000005 109.299 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 816' ' ' GLY . . . . . . . . . . . . . . . -43.3 -27.25 0.7 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.485 1.116 . . . . 74.450000000000003 110.989 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -103.75 167.45 9.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 0.796 . . . . 72.439999999999998 110.332 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 818' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 819' ' ' GLY . 77.1 mt-30 -80.66 2.32 26.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 71.319999999999993 110.331 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 819' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 818' ' ' GLN . . . -37.79 -83.32 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.502 1.126 . . . . 54.039999999999999 110.964 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 820' ' ' TRP . . . . . 0.715 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.31 172.8 12.2 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.992 -1.114 . . . . 75.209999999999994 107.992 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 821' ' ' TRP . . . . . 0.586 ' CH2' ' OE1' ' A' ' 839' ' ' GLU . 21.9 m0 -129.9 138.4 50.9 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.989 -1.115 . . . . 64.230000000000004 107.989 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 822' ' ' ARG . . . . . 0.428 ' HG3' ' CE2' ' A' ' 831' ' ' TRP . 3.9 ttt180 -87.28 117.32 25.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 63.5 110.268 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 823' ' ' GLY . . . . . 0.529 ' C ' HD11 ' A' ' 801' ' ' LEU . . . -139.95 -166.99 10.85 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.528 1.142 . . . . 50.350000000000001 111.027 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 824' ' ' GLU . . . . . 0.91 ' HB2' HD13 ' A' ' 829' ' ' ILE . 19.2 tt0 -155.9 156.79 35.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 0.776 . . . . 74.450000000000003 110.33 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 825' ' ' ILE . . . . . 0.576 HG23 ' CE1' ' A' ' 826' ' ' TYR . 2.7 mt -147.35 126.34 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.122 . . . . 63.039999999999999 109.312 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 826' ' ' TYR . . . . . 0.581 ' HD2' HH21 ' A' ' 828' ' ' ARG . 3.2 m-30 60.03 21.82 10.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 72.420000000000002 110.993 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 90.54 8.46 65.82 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.501 1.126 . . . . 33.210000000000001 111.021 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 828' ' ' ARG . . . . . 0.581 HH21 ' HD2' ' A' ' 826' ' ' TYR . 62.1 mtm180 -99.52 115.08 28.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 0.78 . . . . 75.450000000000003 110.262 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 829' ' ' ILE . . . . . 0.91 HD13 ' HB2' ' A' ' 824' ' ' GLU . 2.7 mm -87.4 155.91 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 70.140000000000001 109.264 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 173.14 -165.55 37.79 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.537 1.148 . . . . 52.420000000000002 111.062 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 831' ' ' TRP . . . . . 0.715 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 57.1 m95 -128.58 151.8 49.05 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.989 -1.115 . . . . 74.439999999999998 107.989 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 832' ' ' PHE . . . . . 0.949 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 30.5 p90 -156.51 153.43 24.84 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.434 1.084 . . . . 72.010000000000005 111.016 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 148.24 34.83 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.478 1.778 . . . . 72.530000000000001 111.003 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 834' ' ' SER . . . . . 0.641 ' HA ' HG22 ' A' ' 837' ' ' VAL . 48.5 p -88.74 3.97 49.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 52.25 109.971 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -97.47 -12.15 22.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.108 . . . . 70.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -109.75 -3.33 16.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 73.099999999999994 110.972 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 837' ' ' VAL . . . . . 0.825 HG21 ' HE2' ' A' ' 832' ' ' PHE . 16.5 m -121.78 171.29 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 74.129999999999995 109.315 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 838' ' ' GLU . . . . . 0.467 ' HG3' ' CG ' ' A' ' 790' ' ' ARG . 5.5 mt-10 -114.31 178.82 4.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 75.319999999999993 110.347 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 839' ' ' GLU . . . . . 0.586 ' OE1' ' CH2' ' A' ' 821' ' ' TRP . 5.1 mt-10 -158.41 140.3 13.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 72.319999999999993 110.327 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 840' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 839' ' ' GLU . 26.5 t0 40.47 29.92 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 71.140000000000001 109.28 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 841' ' ' TYR . . . . . 0.557 ' CE2' ' HB2' ' A' ' 788' ' ' LYS . 21.6 p90 -62.7 -39.97 95.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.517 1.135 . . . . 71.420000000000002 110.963 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 842' ' ' SER . . . . . 0.514 ' N ' ' CD1' ' A' ' 841' ' ' TYR . 86.5 p -146.73 169.75 18.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 62.32 110.022 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -130.48 -174.41 3.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 73.120000000000005 110.333 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 844' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -102.44 49.45 0.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 70.209999999999994 111.041 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 845' ' ' LEU . . . . . . . . . . . . . 4.9 mt -49.99 158.44 0.92 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 65.519999999999996 109.327 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 846' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -165.8 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.495 1.787 . . . . 75.310000000000002 111.033 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 41.7 mp0 -83.08 97.47 8.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 64.200000000000003 110.276 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 848' ' ' THR . . . . . . . . . . . . . 11.6 p . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 71.0 110.398 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.033 -0.827 . . . . 52.509999999999998 111.033 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 781' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -2.05 12.03 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.474 1.776 . . . . 71.109999999999999 110.974 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 782' ' ' GLY . . . . . . . . . . . . . . . 178.5 41.89 0.07 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.118 . . . . 65.129999999999995 111.025 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 783' ' ' THR . . . . . . . . . . . . . 22.7 m -83.62 167.18 17.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 0.781 . . . . 53.329999999999998 110.375 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 784' ' ' PHE . . . . . 0.563 ' CZ ' ' OE2' ' A' ' 839' ' ' GLU . 3.7 m-30 -51.44 -76.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 73.239999999999995 111.023 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 785' ' ' GLY . . . . . 0.609 ' O ' HG23 ' A' ' 786' ' ' THR . . . 112.26 -56.71 0.46 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.457 1.098 . . . . 65.299999999999997 110.947 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 786' ' ' THR . . . . . 0.609 HG23 ' O ' ' A' ' 785' ' ' GLY . 2.3 p -157.69 179.48 9.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.766 . . . . 73.040000000000006 110.364 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -142.24 108.43 5.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 63.32 109.309 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 788' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 838' ' ' GLU . 10.9 tttt -74.29 115.48 13.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 63.520000000000003 109.317 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 789' ' ' ALA . . . . . 0.513 ' HB2' ' CD1' ' A' ' 809' ' ' ILE . . . -60.88 137.69 58.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 64.409999999999997 109.259 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 790' ' ' ARG . . . . . 0.404 ' HA ' ' NE ' ' A' ' 790' ' ' ARG . 6.4 mmp_? -111.89 -5.6 14.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 75.450000000000003 110.309 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 791' ' ' TYR . . . . . 0.439 ' CA ' ' HG3' ' A' ' 805' ' ' GLU . 96.9 m-85 -150.51 128.18 11.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 64.340000000000003 111.001 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.9 112.32 3.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 72.010000000000005 109.284 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 793' ' ' PHE . . . . . 0.462 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.1 t80 -102.95 114.78 29.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 73.340000000000003 111.001 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 17.6 t -82.39 123.21 28.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 72.209999999999994 108.294 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -86.48 140.55 29.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 53.149999999999999 109.28 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 796' ' ' ARG . . . . . 0.487 ' CZ ' ' CG ' ' A' ' 797' ' ' ASP . 0.0 OUTLIER -118.05 -7.28 10.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 72.129999999999995 110.32 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 797' ' ' ASP . . . . . 0.487 ' CG ' ' CZ ' ' A' ' 796' ' ' ARG . 0.9 OUTLIER -147.15 165.25 30.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 75.219999999999999 109.315 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -70.4 -10.14 58.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 75.349999999999994 110.277 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 7.5 p -84.79 -17.04 39.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 64.329999999999998 109.973 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -99.59 150.09 22.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 73.409999999999997 110.322 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 801' ' ' LEU . . . . . 0.644 HD23 ' H ' ' A' ' 802' ' ' SER . 0.8 OUTLIER -103.32 139.77 38.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 70.329999999999998 109.28 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 802' ' ' SER . . . . . 0.644 ' H ' HD23 ' A' ' 801' ' ' LEU . 4.7 t -83.07 111.24 18.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 50.299999999999997 110.013 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 803' ' ' LEU . . . . . 0.462 ' HB2' ' CB ' ' A' ' 793' ' ' PHE . 0.7 OUTLIER -103.93 161.31 14.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 71.340000000000003 109.31 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -159.03 111.76 2.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 70.120000000000005 109.281 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 805' ' ' GLU . . . . . 0.439 ' HG3' ' CA ' ' A' ' 791' ' ' TYR . 5.9 mt-10 -38.94 136.32 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 72.140000000000001 110.32 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 86.27 4.83 83.43 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.459 1.099 . . . . 71.329999999999998 110.986 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -106.04 164.54 11.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 0.8 . . . . 52.229999999999997 109.339 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 808' ' ' ILE . . . . . 0.772 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -113.06 144.13 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 64.409999999999997 109.278 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 809' ' ' ILE . . . . . 0.918 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.5 mp -117.79 116.11 50.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 62.009999999999998 109.344 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 810' ' ' LYS . . . . . 0.418 ' HD2' ' N ' ' A' ' 811' ' ' ILE . 5.7 tptm -74.91 114.17 13.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 62.310000000000002 109.28 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 811' ' ' ILE . . . . . 0.418 ' N ' ' HD2' ' A' ' 810' ' ' LYS . 2.9 mm -70.77 128.28 33.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 52.340000000000003 109.271 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 812' ' ' LEU . . . . . . . . . . . . . 1.1 mt -121.47 -50.5 2.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 74.540000000000006 109.316 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 813' ' ' ASN . . . . . 0.461 ' CB ' ' HB3' ' A' ' 822' ' ' ARG . 2.6 t30 -129.02 88.2 2.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 74.540000000000006 109.281 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 814' ' ' LYS . . . . . 0.553 ' HE3' ' CE2' ' A' ' 784' ' ' PHE . 2.1 ttpm? -84.25 79.61 9.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 61.25 109.294 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 16.7 mtpp -40.7 -46.54 2.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 70.450000000000003 109.292 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 816' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 818' ' ' GLN . . . 159.53 150.74 5.92 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.534 1.146 . . . . 55.310000000000002 111.039 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -39.07 -29.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.757 . . . . 75.329999999999998 110.266 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 818' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 816' ' ' GLY . 72.2 mt-30 -100.39 109.81 21.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 74.129999999999995 110.264 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . 130.6 -119.58 2.77 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.523 1.139 . . . . 30.420000000000002 110.968 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 820' ' ' TRP . . . . . 0.739 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.4 OUTLIER -142.32 171.85 13.5 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.003 -1.11 . . . . 62.229999999999997 108.003 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 821' ' ' TRP . . . . . 0.588 ' O ' ' CE1' ' A' ' 832' ' ' PHE . 43.0 m0 -126.96 134.16 50.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 75.120000000000005 108.007 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 822' ' ' ARG . . . . . 0.461 ' HB3' ' CB ' ' A' ' 813' ' ' ASN . 5.4 ttm180 -88.44 102.96 15.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 63.439999999999998 110.291 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -127.43 -169.92 12.76 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.517 1.136 . . . . 72.049999999999997 110.973 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 824' ' ' GLU . . . . . 0.932 ' HB2' HD13 ' A' ' 829' ' ' ILE . 0.7 OUTLIER -151.49 149.69 29.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 0.792 . . . . 75.409999999999997 110.237 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 825' ' ' ILE . . . . . 0.472 HD11 ' CD1' ' A' ' 809' ' ' ILE . 3.2 mt -139.21 127.73 28.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 64.430000000000007 109.284 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 826' ' ' TYR . . . . . 0.469 ' CD1' ' N ' ' A' ' 826' ' ' TYR . 5.2 m-30 58.64 26.87 15.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 74.439999999999998 111.052 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 84.96 9.62 80.33 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.497 1.123 . . . . 61.520000000000003 111.005 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 828' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' A' ' 824' ' ' GLU . 56.6 mtt-85 -100.68 116.59 32.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 0.796 . . . . 74.319999999999993 110.319 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 829' ' ' ILE . . . . . 0.932 HD13 ' HB2' ' A' ' 824' ' ' GLU . 2.7 mm -87.37 160.55 2.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.464 1.103 . . . . 72.5 109.284 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 830' ' ' GLY . . . . . 0.416 ' N ' HG22 ' A' ' 829' ' ' ILE . . . 165.22 -176.32 40.91 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.526 1.141 . . . . 62.200000000000003 111.018 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 831' ' ' TRP . . . . . 0.739 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 64.6 m95 -117.55 148.9 41.46 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.029 -1.101 . . . . 74.200000000000003 108.029 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 832' ' ' PHE . . . . . 0.918 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 38.8 p90 -152.94 152.06 27.5 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 71.530000000000001 110.95 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 147.68 34.27 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.53 1.805 . . . . 64.420000000000002 110.978 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 834' ' ' SER . . . . . 0.561 ' HB2' ' CH2' ' A' ' 821' ' ' TRP . 88.4 p -89.07 3.9 50.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 71.510000000000005 110.01 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 54.8 m-20 -95.55 -10.84 28.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 72.420000000000002 109.287 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -108.87 -7.3 15.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 74.129999999999995 110.998 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 837' ' ' VAL . . . . . 0.827 HG21 ' HE2' ' A' ' 832' ' ' PHE . 30.8 m -118.69 176.98 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 74.329999999999998 109.284 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 838' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 788' ' ' LYS . 75.6 mt-10 -147.61 125.6 12.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 75.439999999999998 110.324 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 839' ' ' GLU . . . . . 0.563 ' OE2' ' CZ ' ' A' ' 784' ' ' PHE . 0.9 OUTLIER -118.26 178.17 4.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 73.239999999999995 110.341 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 25.9 t0 44.64 40.3 3.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 71.340000000000003 109.275 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 841' ' ' TYR . . . . . 0.575 ' CD1' ' N ' ' A' ' 842' ' ' SER . 28.9 p90 -96.66 -38.76 9.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 73.230000000000004 110.986 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 842' ' ' SER . . . . . 0.575 ' N ' ' CD1' ' A' ' 841' ' ' TYR . 31.7 p -155.01 174.55 15.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 71.329999999999998 110.043 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 14.4 mp0 -121.05 172.51 7.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 73.530000000000001 110.33 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 844' ' ' TYR . . . . . 0.498 ' O ' ' CD1' ' A' ' 844' ' ' TYR . 1.0 OUTLIER -133.91 37.77 3.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 72.219999999999999 110.977 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 845' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -69.62 156.12 92.26 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 70.239999999999995 109.318 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 846' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 123.48 7.92 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.512 1.796 . . . . 74.129999999999995 111.032 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -63.54 144.71 56.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 74.510000000000005 110.36 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 848' ' ' THR . . . . . . . . . . . . . 20.4 p . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 70.5 110.413 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.975 -0.85 . . . . 41.509999999999998 110.975 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 781' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -35.11 3.3 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.515 1.798 . . . . 71.450000000000003 111.013 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 782' ' ' GLY . . . . . . . . . . . . . . . -98.04 -168.97 32.04 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.443 1.089 . . . . 63.140000000000001 111.001 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 783' ' ' THR . . . . . 0.672 HG21 ' HE2' ' A' ' 810' ' ' LYS . 2.9 m -134.28 -174.75 3.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 0.753 . . . . 73.329999999999998 110.439 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 784' ' ' PHE . . . . . 0.597 ' H ' HG22 ' A' ' 783' ' ' THR . 4.8 m-30 -75.43 -75.47 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 73.209999999999994 110.952 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 785' ' ' GLY . . . . . 0.66 ' O ' HG23 ' A' ' 786' ' ' THR . . . -177.85 -116.58 0.49 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.539 1.149 . . . . 50.450000000000003 110.98 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 786' ' ' THR . . . . . 0.66 HG23 ' O ' ' A' ' 785' ' ' GLY . 2.3 p -158.72 170.07 22.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.76 . . . . 74.540000000000006 110.385 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 787' ' ' ALA . . . . . 0.688 ' CB ' HD11 ' A' ' 811' ' ' ILE . . . -147.63 107.39 3.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 51.140000000000001 109.283 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 788' ' ' LYS . . . . . 0.478 ' HB2' ' CZ ' ' A' ' 841' ' ' TYR . 36.9 tttt -65.55 132.45 48.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 72.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 789' ' ' ALA . . . . . 0.499 ' HB2' ' CD1' ' A' ' 809' ' ' ILE . . . -77.73 128.98 34.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 73.400000000000006 109.299 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 790' ' ' ARG . . . . . 0.46 ' C ' ' CD1' ' A' ' 791' ' ' TYR . 21.9 mmm180 -99.25 -3.79 33.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 54.25 110.284 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 791' ' ' TYR . . . . . 0.46 ' CD1' ' C ' ' A' ' 790' ' ' ARG . 41.0 m-85 -157.01 128.66 7.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 72.239999999999995 110.993 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.24 118.14 9.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 75.209999999999994 109.295 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 793' ' ' PHE . . . . . 0.464 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.2 t80 -105.74 128.34 53.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 74.430000000000007 111.015 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 55.8 m -92.08 105.06 17.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 44.100000000000001 108.28 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -66.73 111.13 3.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 63.329999999999998 109.281 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.53 -20.57 65.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 71.400000000000006 110.324 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -162.28 -177.82 5.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 73.329999999999998 109.296 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 46.4 mtt-85 -67.51 -11.47 58.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 63.530000000000001 110.307 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 26.4 p -73.12 -10.95 60.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 70.400000000000006 109.964 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -124.55 160.51 28.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 74.5 110.27 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 801' ' ' LEU . . . . . 0.642 HD23 ' H ' ' A' ' 802' ' ' SER . 0.8 OUTLIER -102.6 140.1 37.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 71.409999999999997 109.358 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 802' ' ' SER . . . . . 0.642 ' H ' HD23 ' A' ' 801' ' ' LEU . 9.8 m -78.61 99.5 6.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 64.329999999999998 110.006 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 803' ' ' LEU . . . . . 0.511 HD11 HG12 ' A' ' 809' ' ' ILE . 1.5 mp -90.45 157.45 17.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 72.239999999999995 109.295 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 2.0 tmtm? -157.07 110.51 2.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 74.150000000000006 109.321 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 805' ' ' GLU . . . . . 0.403 ' HG3' ' CA ' ' A' ' 791' ' ' TYR . 6.3 mt-10 -38.95 134.12 1.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 74.329999999999998 110.292 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 91.53 -7.56 79.79 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 63.310000000000002 111.03 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -97.2 165.42 12.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 64.040000000000006 109.331 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 808' ' ' ILE . . . . . 0.754 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -115.46 137.09 50.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 52.549999999999997 109.331 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 809' ' ' ILE . . . . . 0.904 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.3 mp -107.0 114.99 47.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 73.439999999999998 109.334 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 810' ' ' LYS . . . . . 0.672 ' HE2' HG21 ' A' ' 783' ' ' THR . 5.7 tptm -69.02 113.77 6.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 75.519999999999996 109.256 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 811' ' ' ILE . . . . . 0.688 HD11 ' CB ' ' A' ' 787' ' ' ALA . 12.1 mm -74.95 119.82 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 72.409999999999997 109.278 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 812' ' ' LEU . . . . . . . . . . . . . 1.2 mt -110.16 -51.9 2.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 61.409999999999997 109.3 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -122.32 164.57 17.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 74.230000000000004 109.302 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 814' ' ' LYS . . . . . 0.603 ' HA ' ' CD1' ' A' ' 821' ' ' TRP . 2.9 mtmp? -134.76 83.66 2.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 60.25 109.282 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 815' ' ' LYS . . . . . 0.448 ' HA ' ' CE ' ' A' ' 815' ' ' LYS . 0.3 OUTLIER -82.1 138.67 34.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 74.140000000000001 109.317 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 816' ' ' GLY . . . . . . . . . . . . . . . 50.15 178.38 0.02 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.508 1.13 . . . . 51.32 110.985 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 14.8 mp0 -98.5 -35.78 10.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 72.549999999999997 110.232 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -120.85 -4.28 9.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 55.130000000000003 110.28 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . -61.27 -107.76 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.477 1.111 . . . . 42.030000000000001 111.003 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 820' ' ' TRP . . . . . 0.739 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.36 172.49 12.62 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.013 -1.106 . . . . 73.400000000000006 108.013 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 821' ' ' TRP . . . . . 0.603 ' CD1' ' HA ' ' A' ' 814' ' ' LYS . 20.4 m0 -129.5 138.36 51.33 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.985 -1.117 . . . . 71.200000000000003 107.985 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 822' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -86.72 126.69 34.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 55.030000000000001 110.301 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -145.27 -159.56 8.17 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.488 1.118 . . . . 61.229999999999997 110.965 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 824' ' ' GLU . . . . . 0.902 ' HB2' HD13 ' A' ' 829' ' ' ILE . 0.6 OUTLIER -168.11 148.83 4.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 0.756 . . . . 55.299999999999997 110.312 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 825' ' ' ILE . . . . . 0.557 HG23 ' CE1' ' A' ' 826' ' ' TYR . 2.8 mt -138.07 125.55 29.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 70.510000000000005 109.259 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 826' ' ' TYR . . . . . 0.557 ' CE1' HG23 ' A' ' 825' ' ' ILE . 3.3 m-30 61.18 19.14 9.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 72.129999999999995 111.033 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 98.06 -8.92 63.31 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.505 1.128 . . . . 55.109999999999999 111.014 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 828' ' ' ARG . . . . . 0.414 ' O ' ' HA ' ' A' ' 824' ' ' GLU . 3.5 mpt_? -82.02 116.65 21.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 0.766 . . . . 72.230000000000004 110.246 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 829' ' ' ILE . . . . . 0.902 HD13 ' HB2' ' A' ' 824' ' ' GLU . 3.1 mm -87.5 156.45 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 74.019999999999996 109.3 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 174.76 -164.98 36.02 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.453 1.096 . . . . 74.140000000000001 111.028 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 831' ' ' TRP . . . . . 0.739 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 44.6 m95 -131.69 169.8 15.68 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.99 -1.115 . . . . 74.099999999999994 107.99 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 832' ' ' PHE . . . . . 0.904 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 31.6 p90 -175.79 152.66 1.32 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 64.310000000000002 111.022 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 146.75 32.98 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.493 1.786 . . . . 51.329999999999998 111.023 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 834' ' ' SER . . . . . 0.446 ' HA ' HG22 ' A' ' 837' ' ' VAL . 18.8 p -81.69 3.92 23.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 75.340000000000003 109.996 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 21.2 m-20 -97.56 -8.8 28.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 71.040000000000006 109.33 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -109.39 -10.17 14.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 74.530000000000001 110.997 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 837' ' ' VAL . . . . . 0.804 HG21 ' HE2' ' A' ' 832' ' ' PHE . 30.4 m -117.78 170.58 7.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 70.010000000000005 109.31 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 838' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 788' ' ' LYS . 78.9 mt-10 -144.85 124.91 13.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 64.409999999999997 110.314 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 839' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 840' ' ' ASP . 0.0 OUTLIER -113.75 172.99 6.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 73.329999999999998 110.314 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 840' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 839' ' ' GLU . 25.4 t0 40.48 42.09 1.23 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 71.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 841' ' ' TYR . . . . . 0.478 ' CZ ' ' HB2' ' A' ' 788' ' ' LYS . 39.0 p90 -95.53 -38.05 10.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 75.420000000000002 111.013 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 842' ' ' SER . . . . . 0.436 ' N ' ' CD1' ' A' ' 841' ' ' TYR . 82.7 p -157.24 174.94 14.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 75.140000000000001 109.996 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -94.71 178.78 5.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 73.340000000000003 110.307 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 844' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -127.82 53.2 1.79 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 74.140000000000001 110.98 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 845' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -48.57 160.05 0.49 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 55.119999999999997 109.292 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 846' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 138.76 23.38 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.467 1.772 . . . . 72.0 110.981 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -60.12 102.92 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 74.530000000000001 110.33 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 848' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 73.140000000000001 110.431 179.978 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.007 -0.837 . . . . 63.329999999999998 111.007 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 781' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 130.24 13.15 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.49 1.784 . . . . 74.430000000000007 111.032 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 782' ' ' GLY . . . . . . . . . . . . . . . -137.1 27.62 2.88 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.542 1.151 . . . . 53.43 110.991 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 783' ' ' THR . . . . . . . . . . . . . 35.0 m -89.19 161.89 16.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 0.749 . . . . 72.310000000000002 110.371 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 784' ' ' PHE . . . . . 0.47 ' CE2' ' O ' ' A' ' 812' ' ' LEU . 14.4 m-85 -156.17 149.65 24.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 73.049999999999997 111.03 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . -109.82 -117.91 3.96 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.475 1.109 . . . . 33.5 110.996 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 5.5 p -151.48 174.58 13.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 0.772 . . . . 63.520000000000003 110.425 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 787' ' ' ALA . . . . . 0.596 ' HB2' HD11 ' A' ' 811' ' ' ILE . . . -140.57 107.88 5.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 61.409999999999997 109.3 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 788' ' ' LYS . . . . . 0.4 ' HB2' ' CE2' ' A' ' 841' ' ' TYR . 11.8 tttt -74.34 115.58 14.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 74.140000000000001 109.298 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -60.72 132.12 52.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.095 . . . . 34.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 790' ' ' ARG . . . . . 0.468 ' C ' ' CG ' ' A' ' 791' ' ' TYR . 51.3 mmm-85 -104.58 -5.2 21.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 71.219999999999999 110.308 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 791' ' ' TYR . . . . . 0.468 ' CG ' ' C ' ' A' ' 790' ' ' ARG . 37.3 m-85 -158.09 128.81 6.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 74.129999999999995 110.993 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 7.0 p30 -58.94 124.88 21.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 70.150000000000006 109.302 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 793' ' ' PHE . . . . . 0.554 ' CE2' ' CD ' ' A' ' 800' ' ' GLU . 1.1 t80 -113.69 115.11 27.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 75.530000000000001 110.962 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 60.6 m -84.13 109.86 18.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 72.129999999999995 108.28 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -64.25 98.26 0.22 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 54.130000000000003 109.299 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -63.28 -27.84 69.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 71.209999999999994 110.294 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -135.8 174.74 10.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 62.340000000000003 109.284 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -77.93 -5.04 49.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 73.019999999999996 110.295 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 45.6 p -87.47 -8.87 55.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 70.319999999999993 109.956 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 800' ' ' GLU . . . . . 0.554 ' CD ' ' CE2' ' A' ' 793' ' ' PHE . 32.8 tt0 -105.25 160.49 15.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 74.519999999999996 110.317 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 801' ' ' LEU . . . . . 0.623 HD23 ' H ' ' A' ' 802' ' ' SER . 0.9 OUTLIER -104.17 138.62 40.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 45.329999999999998 109.273 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 802' ' ' SER . . . . . 0.623 ' H ' HD23 ' A' ' 801' ' ' LEU . 1.3 t -79.69 108.33 13.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.092 . . . . 74.510000000000005 110.018 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 803' ' ' LEU . . . . . 0.444 ' HB2' ' CB ' ' A' ' 793' ' ' PHE . 0.5 OUTLIER -100.34 159.46 15.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 43.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -155.03 112.2 3.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 72.420000000000002 109.308 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -38.86 137.29 0.67 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 75.349999999999994 110.304 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 84.54 7.43 84.56 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.119 . . . . 73.140000000000001 111.008 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -109.85 161.08 15.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.765 . . . . 74.230000000000004 109.306 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 808' ' ' ILE . . . . . 0.618 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -112.25 142.55 24.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 61.229999999999997 109.307 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 809' ' ' ILE . . . . . 0.944 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.8 mp -111.12 114.54 47.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 74.310000000000002 109.298 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 810' ' ' LYS . . . . . 0.418 ' HD2' ' N ' ' A' ' 811' ' ' ILE . 17.4 tptt -69.7 114.13 7.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 54.109999999999999 109.305 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 811' ' ' ILE . . . . . 0.596 HD11 ' HB2' ' A' ' 787' ' ' ALA . 14.3 mm -74.7 126.85 36.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 64.109999999999999 109.305 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 812' ' ' LEU . . . . . 0.47 ' O ' ' CE2' ' A' ' 784' ' ' PHE . 0.7 OUTLIER -117.63 -40.14 3.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 72.439999999999998 109.274 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -137.65 145.35 42.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 54.350000000000001 109.287 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 814' ' ' LYS . . . . . 0.45 ' HG2' ' CD1' ' A' ' 821' ' ' TRP . 14.9 mtmm -133.66 91.25 2.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 74.109999999999999 109.291 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 17.9 mmtp -40.63 -29.74 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 74.129999999999995 109.375 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 816' ' ' GLY . . . . . 0.445 ' N ' ' C ' ' A' ' 814' ' ' LYS . . . 100.62 -83.92 0.55 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.542 1.151 . . . . 53.100000000000001 111.025 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -57.28 161.8 3.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 0.753 . . . . 72.129999999999995 110.252 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -46.5 157.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 34.439999999999998 110.314 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . 142.41 -107.23 0.48 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.524 1.14 . . . . 40.439999999999998 110.991 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 820' ' ' TRP . . . . . 0.467 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.34 172.9 12.06 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.981 -1.118 . . . . 75.420000000000002 107.981 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 821' ' ' TRP . . . . . 0.454 ' CZ3' ' HG3' ' A' ' 839' ' ' GLU . 7.9 m0 -133.01 147.43 52.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 74.340000000000003 107.977 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 822' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -88.94 153.98 20.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 75.540000000000006 110.319 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 178.49 -170.0 41.84 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.525 1.141 . . . . 73.239999999999995 111.007 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 824' ' ' GLU . . . . . 0.943 ' HB2' HD13 ' A' ' 829' ' ' ILE . 20.3 tt0 -153.66 159.26 42.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 0.778 . . . . 65.5 110.305 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 825' ' ' ILE . . . . . 0.499 ' N ' ' CG ' ' A' ' 824' ' ' GLU . 2.9 mt -151.74 134.65 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 71.430000000000007 109.286 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 826' ' ' TYR . . . . . 0.429 ' CD1' ' N ' ' A' ' 826' ' ' TYR . 10.1 m-30 55.79 17.27 2.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 70.019999999999996 111.028 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 90.4 22.3 35.01 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.129 . . . . 74.200000000000003 110.975 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 828' ' ' ARG . . . . . 0.421 ' N ' ' HG3' ' A' ' 824' ' ' GLU . 15.8 mmt-85 -114.74 116.95 29.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 0.776 . . . . 72.420000000000002 110.272 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 829' ' ' ILE . . . . . 0.943 HD13 ' HB2' ' A' ' 824' ' ' GLU . 2.8 mm -87.28 152.91 3.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 75.239999999999995 109.311 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 171.95 -165.59 38.37 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.48 1.113 . . . . 21.510000000000002 111.015 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 831' ' ' TRP . . . . . 0.467 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 55.6 m95 -125.84 165.66 18.28 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.007 -1.108 . . . . 72.109999999999999 108.007 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 832' ' ' PHE . . . . . 0.944 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 34.2 p90 -166.64 154.2 8.92 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 75.200000000000003 110.98 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 148.36 35.14 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.499 1.789 . . . . 72.510000000000005 111.017 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 834' ' ' SER . . . . . 0.689 ' HA ' HG22 ' A' ' 837' ' ' VAL . 19.6 p -88.55 3.91 48.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 62.149999999999999 109.984 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -95.45 -13.39 24.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 74.450000000000003 109.323 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -110.07 -8.13 14.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 75.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 837' ' ' VAL . . . . . 0.689 HG22 ' HA ' ' A' ' 834' ' ' SER . 23.2 m -117.43 168.2 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 52.310000000000002 109.267 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 838' ' ' GLU . . . . . 0.464 ' HG3' ' CG ' ' A' ' 790' ' ' ARG . 5.3 mt-10 -110.79 172.87 6.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 65.150000000000006 110.271 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 839' ' ' GLU . . . . . 0.454 ' HG3' ' CZ3' ' A' ' 821' ' ' TRP . 13.1 mm-40 -153.41 139.67 18.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 71.329999999999998 110.283 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 21.0 t70 40.44 29.96 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 60.210000000000001 109.355 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 841' ' ' TYR . . . . . 0.433 ' N ' ' C ' ' A' ' 839' ' ' GLU . 19.2 p90 -60.43 -28.84 68.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 73.540000000000006 111.037 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 842' ' ' SER . . . . . 0.418 ' OG ' ' CD1' ' A' ' 841' ' ' TYR . 75.6 p -150.07 176.78 10.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 63.43 110.036 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 843' ' ' GLU . . . . . 0.404 ' O ' ' CB ' ' A' ' 844' ' ' TYR . 20.8 tt0 -170.03 154.66 5.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 60.530000000000001 110.264 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 844' ' ' TYR . . . . . 0.404 ' CB ' ' O ' ' A' ' 843' ' ' GLU . 0.4 OUTLIER 67.69 41.31 2.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 73.319999999999993 111.015 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 845' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 845' ' ' LEU . 0.0 OUTLIER -48.65 163.97 0.3 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 62.399999999999999 109.354 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 846' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 169.81 21.8 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.504 1.791 . . . . 73.209999999999994 111.013 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -64.03 134.64 55.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 72.430000000000007 110.272 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 848' ' ' THR . . . . . . . . . . . . . 21.4 m . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 70.439999999999998 110.399 179.971 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.985 -0.846 . . . . 65.219999999999999 110.985 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 781' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 95.39 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.521 1.8 . . . . 71.450000000000003 111.033 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 782' ' ' GLY . . . . . . . . . . . . . . . -108.08 137.12 13.9 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.125 . . . . 74.349999999999994 111.019 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 783' ' ' THR . . . . . . . . . . . . . 52.0 m -126.44 144.28 50.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 0.782 . . . . 52.039999999999999 110.405 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 784' ' ' PHE . . . . . 0.614 ' CE1' ' CE ' ' A' ' 814' ' ' LYS . 16.7 m-30 -48.22 177.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 71.319999999999993 111.006 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . -170.44 -99.31 0.12 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.467 1.104 . . . . 54.329999999999998 110.988 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 2.8 p -147.92 166.04 28.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 0.754 . . . . 61.030000000000001 110.405 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 787' ' ' ALA . . . . . 0.509 ' HB1' ' O ' ' A' ' 838' ' ' GLU . . . -144.86 120.89 10.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 72.129999999999995 109.348 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 788' ' ' LYS . . . . . . . . . . . . . 17.5 mtpt -75.32 156.92 35.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 75.150000000000006 109.314 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -95.07 126.77 40.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 65.209999999999994 109.287 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 790' ' ' ARG . . . . . 0.519 ' C ' ' CD1' ' A' ' 791' ' ' TYR . 5.4 mmm180 -105.17 3.08 29.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 75.349999999999994 110.287 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 791' ' ' TYR . . . . . 0.519 ' CD1' ' C ' ' A' ' 790' ' ' ARG . 55.6 m-85 -153.44 130.53 11.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 73.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -67.48 96.74 0.53 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 62.140000000000001 109.284 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 793' ' ' PHE . . . . . 0.455 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.1 t80 -84.54 176.15 8.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 75.010000000000005 111.038 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 4.4 p -152.24 105.61 3.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 54.200000000000003 108.285 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -69.22 130.79 43.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 65.239999999999995 109.285 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -101.8 -19.5 15.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.147 . . . . 73.049999999999997 110.293 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -143.3 172.92 12.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 73.430000000000007 109.295 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -73.08 -11.69 60.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 64.049999999999997 110.293 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 74.9 p -84.91 8.65 16.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 55.530000000000001 109.978 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -131.56 150.31 52.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 65.310000000000002 110.293 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 801' ' ' LEU . . . . . 0.657 HD23 ' H ' ' A' ' 802' ' ' SER . 0.7 OUTLIER -96.06 141.27 29.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 63.049999999999997 109.306 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 802' ' ' SER . . . . . 0.657 ' H ' HD23 ' A' ' 801' ' ' LEU . 1.8 m -82.21 95.4 7.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 74.230000000000004 110.038 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 803' ' ' LEU . . . . . 0.812 HD11 HG12 ' A' ' 809' ' ' ILE . 1.3 mp -88.69 153.01 21.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 64.230000000000004 109.315 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 13.4 tptp -160.28 116.32 2.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 72.519999999999996 109.314 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 805' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 791' ' ' TYR . 4.8 mt-10 -39.98 137.25 0.99 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 74.430000000000007 110.302 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 84.3 7.13 85.4 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 70.530000000000001 111.051 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -113.52 158.68 20.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 74.230000000000004 109.284 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 808' ' ' ILE . . . . . 0.776 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -108.5 151.47 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 73.329999999999998 109.309 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 809' ' ' ILE . . . . . 0.812 HG12 HD11 ' A' ' 803' ' ' LEU . 1.3 mp -121.83 116.14 48.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 71.319999999999993 109.283 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 810' ' ' LYS . . . . . . . . . . . . . 8.0 tptm -73.8 112.7 10.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 72.150000000000006 109.279 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 811' ' ' ILE . . . . . 1.017 HG21 ' NZ ' ' A' ' 814' ' ' LYS . 14.7 mm -70.34 122.6 22.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 72.409999999999997 109.328 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 812' ' ' LEU . . . . . . . . . . . . . 2.0 mt -116.04 -46.15 2.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 62.310000000000002 109.348 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -122.28 151.19 41.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 73.200000000000003 109.322 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 814' ' ' LYS . . . . . 1.017 ' NZ ' HG21 ' A' ' 811' ' ' ILE . 2.8 tppt? -134.0 68.74 1.48 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 74.439999999999998 109.342 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp -52.92 110.98 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 74.409999999999997 109.272 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 816' ' ' GLY . . . . . . . . . . . . . . . 68.64 -163.62 49.49 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.518 1.136 . . . . 43.530000000000001 110.974 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -87.28 -43.93 11.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 0.785 . . . . 73.030000000000001 110.309 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -146.44 139.4 25.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 64.450000000000003 110.249 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . 161.95 -91.22 0.11 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.49 1.119 . . . . 73.409999999999997 110.973 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 820' ' ' TRP . . . . . 0.456 ' CZ3' ' CG ' ' A' ' 831' ' ' TRP . 1.1 p-90 -142.42 118.49 10.68 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.995 -1.113 . . . . 71.129999999999995 107.995 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 821' ' ' TRP . . . . . 0.537 ' CD1' ' HG3' ' A' ' 814' ' ' LYS . 15.4 m0 -91.97 164.66 13.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 72.219999999999999 108.023 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 822' ' ' ARG . . . . . 0.568 ' HG3' ' CD1' ' A' ' 831' ' ' TRP . 30.3 ttt180 -121.56 121.79 38.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 75.219999999999999 110.304 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -133.97 -149.98 6.13 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.549 1.156 . . . . 71.329999999999998 111.012 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 824' ' ' GLU . . . . . 0.927 ' HB2' HD13 ' A' ' 829' ' ' ILE . 18.9 tt0 -163.99 153.44 14.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 0.789 . . . . 75.409999999999997 110.287 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 825' ' ' ILE . . . . . 0.653 HD11 ' O ' ' A' ' 808' ' ' ILE . 2.3 mt -145.27 124.45 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 74.329999999999998 109.283 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 826' ' ' TYR . . . . . 0.569 ' CE1' HG23 ' A' ' 825' ' ' ILE . 2.8 m-30 60.25 25.77 15.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 75.409999999999997 110.966 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 91.07 -5.41 81.66 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.529 1.143 . . . . 61.420000000000002 110.982 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 -85.28 114.37 22.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 0.774 . . . . 75.439999999999998 110.33 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 829' ' ' ILE . . . . . 0.927 HD13 ' HB2' ' A' ' 824' ' ' GLU . 3.1 mm -87.45 156.04 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 61.32 109.293 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 167.91 -165.98 39.1 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.464 1.102 . . . . 71.099999999999994 110.987 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 831' ' ' TRP . . . . . 0.568 ' CD1' ' HG3' ' A' ' 822' ' ' ARG . 21.8 m95 -128.31 -177.88 4.33 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.98 -1.118 . . . . 74.25 107.98 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 832' ' ' PHE . . . . . 0.81 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 29.4 p90 -178.34 154.88 0.93 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 70.120000000000005 111.011 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 833' ' ' PRO . . . . . 0.504 ' HG2' ' CG ' ' A' ' 836' ' ' TYR . 18.2 Cg_endo -75.02 148.45 35.23 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.475 1.776 . . . . 74.439999999999998 111.037 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 23.6 p -81.77 4.0 23.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 62.43 109.965 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 61.6 m-80 -105.39 0.05 26.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 73.549999999999997 109.328 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 836' ' ' TYR . . . . . 0.504 ' CG ' ' HG2' ' A' ' 833' ' ' PRO . 6.4 m-85 -116.16 0.95 13.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 75.219999999999999 110.964 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 837' ' ' VAL . . . . . 0.764 HG21 ' HE2' ' A' ' 832' ' ' PHE . 6.1 m -139.63 169.84 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 60.109999999999999 109.318 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 838' ' ' GLU . . . . . 0.509 ' O ' ' HB1' ' A' ' 787' ' ' ALA . 19.8 mt-10 -110.04 174.42 5.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 70.25 110.328 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 839' ' ' GLU . . . . . 0.526 ' HG3' ' CZ3' ' A' ' 821' ' ' TRP . 19.0 mm-40 -149.09 138.38 21.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 73.019999999999996 110.316 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 19.9 t0 40.5 29.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 63.049999999999997 109.298 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 841' ' ' TYR . . . . . 0.449 ' N ' ' C ' ' A' ' 839' ' ' GLU . 18.4 p90 -58.77 -34.26 71.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 64.010000000000005 111.03 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 842' ' ' SER . . . . . 0.408 ' N ' ' CD1' ' A' ' 841' ' ' TYR . 57.4 p -151.72 174.87 12.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 73.420000000000002 110.005 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -115.26 126.81 54.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 71.25 110.314 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 844' ' ' TYR . . . . . 0.5 ' O ' ' CD1' ' A' ' 844' ' ' TYR . 1.1 t80 -134.48 40.28 3.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 73.120000000000005 110.996 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 845' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.13 160.99 76.13 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 72.530000000000001 109.328 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 846' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 153.39 41.48 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.492 1.785 . . . . 65.420000000000002 110.997 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -45.41 157.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 75.439999999999998 110.27 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 848' ' ' THR . . . . . . . . . . . . . 5.7 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 63.399999999999999 110.421 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.003 -0.839 . . . . 61.509999999999998 111.003 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 781' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -19.44 17.88 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.512 1.796 . . . . 54.299999999999997 110.995 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 782' ' ' GLY . . . . . . . . . . . . . . . 165.82 -131.03 2.27 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.513 1.133 . . . . 51.43 111.011 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 783' ' ' THR . . . . . . . . . . . . . 3.2 m -145.55 132.95 20.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 0.758 . . . . 73.349999999999994 110.457 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 784' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -139.13 -176.59 4.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 65.25 110.961 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 785' ' ' GLY . . . . . 0.523 ' O ' HG23 ' A' ' 786' ' ' THR . . . -143.45 -105.69 0.53 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.46 1.1 . . . . 71.409999999999997 111.024 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 786' ' ' THR . . . . . 0.523 HG23 ' O ' ' A' ' 785' ' ' GLY . 2.4 p -155.03 174.6 14.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 55.219999999999999 110.424 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 787' ' ' ALA . . . . . 0.661 ' HB2' HD11 ' A' ' 811' ' ' ILE . . . -144.81 102.99 3.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 74.349999999999994 109.289 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 788' ' ' LYS . . . . . . . . . . . . . 34.5 tttt -66.58 128.3 35.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 71.340000000000003 109.276 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 789' ' ' ALA . . . . . 0.44 ' HA ' HG12 ' A' ' 837' ' ' VAL . . . -75.15 124.7 27.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 72.420000000000002 109.299 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 790' ' ' ARG . . . . . 0.456 ' O ' ' CG ' ' A' ' 791' ' ' TYR . 19.9 mmm180 -98.45 1.26 46.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 74.120000000000005 110.273 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 791' ' ' TYR . . . . . 0.456 ' CG ' ' O ' ' A' ' 790' ' ' ARG . 67.4 m-85 -159.55 128.73 5.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 62.340000000000003 110.941 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.37 109.88 2.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 65.299999999999997 109.316 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 793' ' ' PHE . . . . . 0.557 ' CE2' ' CD ' ' A' ' 800' ' ' GLU . 1.1 t80 -99.12 125.18 44.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 72.030000000000001 111.023 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 97.5 m -92.25 113.25 25.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 62.229999999999997 108.294 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -72.83 104.21 3.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 70.109999999999999 109.306 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -75.15 -25.46 58.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 74.120000000000005 110.321 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -131.58 169.72 15.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 64.540000000000006 109.261 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 56.6 mtp180 -75.52 -4.35 39.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 73.310000000000002 110.317 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 97.2 p -87.97 -12.03 45.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 73.120000000000005 109.996 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 800' ' ' GLU . . . . . 0.557 ' CD ' ' CE2' ' A' ' 793' ' ' PHE . 33.4 tt0 -103.01 157.19 17.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 65.519999999999996 110.283 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 801' ' ' LEU . . . . . 0.652 HD23 ' H ' ' A' ' 802' ' ' SER . 0.8 OUTLIER -103.81 140.02 38.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 62.100000000000001 109.326 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 802' ' ' SER . . . . . 0.652 ' H ' HD23 ' A' ' 801' ' ' LEU . 10.9 t -79.45 112.04 16.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 62.210000000000001 109.979 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 803' ' ' LEU . . . . . 0.513 ' HG ' HD11 ' A' ' 809' ' ' ILE . 1.1 mp -107.01 158.87 16.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 74.420000000000002 109.269 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -158.41 113.09 2.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 64.349999999999994 109.309 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -38.93 133.16 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 62.140000000000001 110.295 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 94.76 -14.22 65.73 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.465 1.103 . . . . 40.109999999999999 110.977 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -92.76 162.02 14.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 0.737 . . . . 73.549999999999997 109.288 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 808' ' ' ILE . . . . . 0.69 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -116.09 136.51 52.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.519 1.137 . . . . 55.229999999999997 109.328 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 809' ' ' ILE . . . . . 0.89 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.4 mp -102.19 113.67 39.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 71.420000000000002 109.295 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 810' ' ' LYS . . . . . 0.419 ' HD2' ' N ' ' A' ' 811' ' ' ILE . 11.8 tptt -68.31 115.83 8.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 60.020000000000003 109.288 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 811' ' ' ILE . . . . . 0.661 HD11 ' HB2' ' A' ' 787' ' ' ALA . 5.3 mm -78.48 136.25 24.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 35.140000000000001 109.321 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 812' ' ' LEU . . . . . 0.415 HD21 ' HG3' ' A' ' 810' ' ' LYS . 0.7 OUTLIER -126.97 -46.99 1.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 75.340000000000003 109.301 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -135.96 141.28 44.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 73.400000000000006 109.325 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 814' ' ' LYS . . . . . 0.524 ' CD ' ' CE2' ' A' ' 821' ' ' TRP . 11.2 mtmm -125.63 89.18 2.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 75.310000000000002 109.285 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 10.3 mmmm -46.04 -26.35 0.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 62.219999999999999 109.326 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 816' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 814' ' ' LYS . . . 161.11 167.46 21.6 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 72.120000000000005 111.03 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -68.71 -7.82 37.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 0.766 . . . . 74.420000000000002 110.284 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -124.09 132.86 53.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 72.340000000000003 110.252 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . 115.52 -109.44 2.06 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.497 1.123 . . . . 72.040000000000006 111.048 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 820' ' ' TRP . . . . . 0.476 ' CE3' ' HB3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.34 172.81 12.18 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.003 -1.11 . . . . 64.010000000000005 108.003 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 821' ' ' TRP . . . . . 0.564 ' CZ3' ' HB2' ' A' ' 834' ' ' SER . 16.9 m0 -128.46 146.07 50.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 75.319999999999993 108.053 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 822' ' ' ARG . . . . . 0.503 ' HG3' ' CE2' ' A' ' 831' ' ' TRP . 7.6 ttt180 -99.39 111.23 23.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 73.540000000000006 110.264 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -131.18 -154.66 7.93 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.496 1.123 . . . . 43.039999999999999 110.962 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 824' ' ' GLU . . . . . 0.926 ' HB2' HD13 ' A' ' 829' ' ' ILE . 0.8 OUTLIER -168.45 149.06 4.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 0.758 . . . . 73.239999999999995 110.293 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 825' ' ' ILE . . . . . 0.575 HG23 ' CE1' ' A' ' 826' ' ' TYR . 3.6 mt -140.01 128.31 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 63.100000000000001 109.287 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 826' ' ' TYR . . . . . 0.575 ' CE1' HG23 ' A' ' 825' ' ' ILE . 3.5 m-30 60.77 21.89 11.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 75.310000000000002 110.992 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 89.71 6.0 70.73 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 74.299999999999997 110.995 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 828' ' ' ARG . . . . . 0.417 ' O ' ' HA ' ' A' ' 824' ' ' GLU . 86.9 mtt180 -97.74 118.09 33.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 0.771 . . . . 73.549999999999997 110.305 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 829' ' ' ILE . . . . . 0.926 HD13 ' HB2' ' A' ' 824' ' ' GLU . 2.9 mm -87.41 159.51 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.09 . . . . 71.099999999999994 109.302 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 169.64 -179.21 42.23 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 54.109999999999999 110.98 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 831' ' ' TRP . . . . . 0.503 ' CE2' ' HG3' ' A' ' 822' ' ' ARG . 80.5 m95 -117.85 150.14 39.68 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.963 -1.125 . . . . 75.519999999999996 107.963 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 832' ' ' PHE . . . . . 0.89 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 32.2 p90 -157.02 153.57 24.32 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 74.120000000000005 110.985 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 833' ' ' PRO . . . . . 0.409 ' O ' HG22 ' A' ' 837' ' ' VAL . 18.3 Cg_endo -74.97 148.28 35.19 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.462 1.769 . . . . 63.439999999999998 111.008 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 834' ' ' SER . . . . . 0.564 ' HB2' ' CZ3' ' A' ' 821' ' ' TRP . 60.1 p -86.56 3.91 42.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 73.129999999999995 109.999 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -96.43 -11.11 26.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 71.120000000000005 109.317 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -107.95 -4.64 17.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 73.430000000000007 110.994 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 837' ' ' VAL . . . . . 0.779 HG21 ' HE2' ' A' ' 832' ' ' PHE . 16.1 m -122.47 -177.35 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 74.420000000000002 109.287 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 838' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 787' ' ' ALA . 41.5 mm-40 -121.96 175.99 6.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 75.019999999999996 110.281 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 839' ' ' GLU . . . . . 0.453 ' HG3' ' CH2' ' A' ' 821' ' ' TRP . 13.4 mm-40 -150.61 138.08 19.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 73.299999999999997 110.318 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 20.0 t0 40.43 29.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 63.100000000000001 109.28 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 841' ' ' TYR . . . . . 0.473 ' CD1' ' N ' ' A' ' 842' ' ' SER . 17.0 p90 -58.34 -38.52 77.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 73.400000000000006 111.019 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 842' ' ' SER . . . . . 0.473 ' N ' ' CD1' ' A' ' 841' ' ' TYR . 24.3 p -155.63 135.86 13.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 62.140000000000001 109.975 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -94.98 158.72 15.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 72.400000000000006 110.32 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 844' ' ' TYR . . . . . 0.577 ' C ' ' CD1' ' A' ' 844' ' ' TYR . 0.0 OUTLIER -87.23 41.65 0.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 64.140000000000001 111.035 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 845' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 844' ' ' TYR . 6.7 mt -38.67 153.53 0.16 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 75.5 109.288 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 846' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 152.62 40.98 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.554 1.818 . . . . 55.32 110.978 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.72 147.33 28.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 62.439999999999998 110.322 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 848' ' ' THR . . . . . . . . . . . . . 22.0 m . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 64.430000000000007 110.375 179.986 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.966 -0.853 . . . . 72.129999999999995 110.966 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 781' ' ' PRO . . . . . 0.441 ' C ' ' HZ1' ' A' ' 810' ' ' LYS . 18.3 Cg_endo -75.03 170.87 19.46 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.478 1.778 . . . . 65.010000000000005 110.995 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 782' ' ' GLY . . . . . . . . . . . . . . . -107.5 114.86 4.38 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.475 1.109 . . . . 71.239999999999995 110.968 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 783' ' ' THR . . . . . . . . . . . . . 22.3 m -46.29 -30.67 2.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 0.753 . . . . 72.109999999999999 110.415 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 784' ' ' PHE . . . . . 0.65 ' CZ ' ' NZ ' ' A' ' 814' ' ' LYS . 19.0 m-85 -110.54 -68.57 0.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 74.239999999999995 111.008 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . 167.89 -106.51 0.26 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.461 1.101 . . . . 52.020000000000003 110.99 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 786' ' ' THR . . . . . 0.43 HG22 ' HA ' ' A' ' 810' ' ' LYS . 2.8 p -149.91 -179.74 7.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.775 . . . . 61.43 110.423 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 787' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' A' ' 838' ' ' GLU . . . -145.23 114.24 6.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 44.219999999999999 109.296 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 788' ' ' LYS . . . . . 0.452 ' HB2' ' CZ ' ' A' ' 841' ' ' TYR . 11.5 tttt -76.28 116.12 16.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 71.129999999999995 109.331 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -56.31 123.85 16.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 62.420000000000002 109.309 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 790' ' ' ARG . . . . . 0.427 ' C ' ' CG ' ' A' ' 791' ' ' TYR . 21.9 mmm180 -99.74 -6.3 27.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 72.310000000000002 110.287 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 791' ' ' TYR . . . . . 0.427 ' CG ' ' C ' ' A' ' 790' ' ' ARG . 68.9 m-85 -157.91 128.42 6.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 74.019999999999996 111.032 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 18.0 p-10 -60.67 121.23 11.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 74.25 109.321 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 793' ' ' PHE . . . . . 0.452 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.4 t80 -111.88 113.4 25.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 60.340000000000003 111.0 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 25.3 m -81.97 104.53 12.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 63.140000000000001 108.301 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 795' ' ' ALA . . . . . 0.481 ' HB1' ' HB3' ' A' ' 800' ' ' GLU . . . -61.33 98.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 31.25 109.278 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 2.8 ptp85 -47.9 -23.91 0.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 64.109999999999999 110.297 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 797' ' ' ASP . . . . . 0.428 ' CG ' ' HG ' ' A' ' 799' ' ' SER . 0.5 OUTLIER -155.47 169.09 25.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 53.240000000000002 109.302 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.24 -16.87 49.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 72.129999999999995 110.269 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 799' ' ' SER . . . . . 0.428 ' HG ' ' CG ' ' A' ' 797' ' ' ASP . 0.8 OUTLIER -71.74 -13.89 61.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 52.409999999999997 110.009 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 800' ' ' GLU . . . . . 0.481 ' HB3' ' HB1' ' A' ' 795' ' ' ALA . 1.4 tp10 -110.7 149.48 30.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 65.420000000000002 110.271 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 801' ' ' LEU . . . . . 0.644 HD23 ' H ' ' A' ' 802' ' ' SER . 0.8 OUTLIER -84.82 139.45 31.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 75.230000000000004 109.302 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 802' ' ' SER . . . . . 0.644 ' H ' HD23 ' A' ' 801' ' ' LEU . 1.0 OUTLIER -86.83 105.83 17.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 71.120000000000005 109.987 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 803' ' ' LEU . . . . . 0.452 ' HB2' ' CB ' ' A' ' 793' ' ' PHE . 0.5 OUTLIER -94.79 157.48 15.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 71.120000000000005 109.258 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -154.43 111.53 3.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 70.040000000000006 109.326 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -38.98 137.77 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 74.420000000000002 110.3 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 83.77 8.44 84.41 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.475 1.109 . . . . 72.450000000000003 110.982 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -112.4 162.8 15.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 74.519999999999996 109.268 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 808' ' ' ILE . . . . . 0.689 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -110.24 146.71 15.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 73.319999999999993 109.297 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 809' ' ' ILE . . . . . 0.91 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.5 mp -118.54 116.61 51.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 72.209999999999994 109.347 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 810' ' ' LYS . . . . . 0.441 ' HZ1' ' C ' ' A' ' 781' ' ' PRO . 14.2 tptp -75.93 114.21 14.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 74.129999999999995 109.322 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 811' ' ' ILE . . . . . 0.413 ' N ' ' HD2' ' A' ' 810' ' ' LYS . 3.3 mm -71.33 128.84 34.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 65.099999999999994 109.303 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 812' ' ' LEU . . . . . . . . . . . . . 2.5 mt -120.17 -51.26 2.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 65.200000000000003 109.348 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 813' ' ' ASN . . . . . 0.468 ' CB ' ' HB3' ' A' ' 822' ' ' ARG . 2.0 t-20 -122.46 156.6 33.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 64.239999999999995 109.293 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 814' ' ' LYS . . . . . 0.65 ' NZ ' ' CZ ' ' A' ' 784' ' ' PHE . 1.5 mmmp? -134.18 62.12 1.66 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 43.420000000000002 109.308 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -52.08 110.48 0.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 74.420000000000002 109.291 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 816' ' ' GLY . . . . . . . . . . . . . . . 43.67 -168.23 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.133 . . . . 62.310000000000002 111.008 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -113.58 172.64 6.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 0.786 . . . . 74.329999999999998 110.305 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 42.27 34.15 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 61.240000000000002 110.328 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . -122.72 -107.44 1.9 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.501 1.126 . . . . 62.439999999999998 110.969 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 820' ' ' TRP . . . . . 0.712 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.37 172.6 12.47 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.01 -1.107 . . . . 64.25 108.01 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 821' ' ' TRP . . . . . 0.593 ' O ' ' CE1' ' A' ' 832' ' ' PHE . 41.0 m0 -130.91 131.39 44.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 73.310000000000002 107.982 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 822' ' ' ARG . . . . . 0.468 ' HB3' ' CB ' ' A' ' 813' ' ' ASN . 22.1 ttp180 -87.56 99.92 12.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 75.239999999999995 110.294 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -119.0 -159.15 10.95 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.507 1.129 . . . . 34.130000000000003 111.011 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 824' ' ' GLU . . . . . 0.92 ' HB2' HD13 ' A' ' 829' ' ' ILE . 19.8 tt0 -161.12 159.14 28.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 0.769 . . . . 63.210000000000001 110.304 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 825' ' ' ILE . . . . . 0.649 HD11 ' O ' ' A' ' 808' ' ' ILE . 2.4 mt -151.87 128.84 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 72.230000000000004 109.281 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 826' ' ' TYR . . . . . 0.61 ' HD2' HH21 ' A' ' 828' ' ' ARG . 4.8 m-30 58.51 23.93 11.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 55.219999999999999 110.985 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 85.67 17.34 62.04 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.468 1.105 . . . . 51.549999999999997 110.974 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 828' ' ' ARG . . . . . 0.61 HH21 ' HD2' ' A' ' 826' ' ' TYR . 18.8 mtm105 -108.96 114.75 28.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 0.761 . . . . 73.239999999999995 110.346 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 829' ' ' ILE . . . . . 0.92 HD13 ' HB2' ' A' ' 824' ' ' GLU . 2.7 mm -87.42 157.56 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 72.140000000000001 109.275 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 174.07 -169.54 42.57 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.526 1.141 . . . . 74.120000000000005 111.0 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 831' ' ' TRP . . . . . 0.712 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 70.6 m95 -126.58 142.32 51.57 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.009 -1.108 . . . . 75.140000000000001 108.009 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 832' ' ' PHE . . . . . 0.91 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 38.5 p90 -148.76 150.95 34.34 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 70.420000000000002 111.004 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 833' ' ' PRO . . . . . 0.449 ' HG2' ' CD1' ' A' ' 836' ' ' TYR . 18.4 Cg_endo -74.99 147.47 34.03 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.492 1.785 . . . . 73.349999999999994 111.018 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 834' ' ' SER . . . . . 0.57 ' HB2' ' CH2' ' A' ' 821' ' ' TRP . 7.7 p -84.36 3.89 33.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 71.329999999999998 109.966 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -97.51 -9.4 27.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 50.119999999999997 109.276 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 836' ' ' TYR . . . . . 0.449 ' CD1' ' HG2' ' A' ' 833' ' ' PRO . 17.2 m-85 -109.97 -0.45 18.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 71.049999999999997 111.021 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 837' ' ' VAL . . . . . 0.794 HG21 ' HE2' ' A' ' 832' ' ' PHE . 10.8 m -126.47 -176.17 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 64.340000000000003 109.281 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 838' ' ' GLU . . . . . 0.428 ' O ' ' CB ' ' A' ' 787' ' ' ALA . 7.0 mm-40 -125.89 171.55 10.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 71.219999999999999 110.312 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 839' ' ' GLU . . . . . 0.563 ' HG3' ' CH2' ' A' ' 821' ' ' TRP . 14.5 mm-40 -148.23 140.25 24.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 75.450000000000003 110.314 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 840' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 839' ' ' GLU . 20.7 t70 40.51 29.84 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 74.319999999999993 109.284 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 841' ' ' TYR . . . . . 0.466 ' CD1' ' N ' ' A' ' 842' ' ' SER . 18.5 p90 -59.79 -37.22 78.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.433 1.083 . . . . 74.239999999999995 111.002 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 842' ' ' SER . . . . . 0.466 ' N ' ' CD1' ' A' ' 841' ' ' TYR . 82.4 p -152.22 145.51 24.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 73.019999999999996 109.997 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -90.63 133.77 34.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 63.149999999999999 110.291 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 844' ' ' TYR . . . . . 0.594 ' CD2' ' O ' ' A' ' 844' ' ' TYR . 9.6 p90 -123.9 29.04 6.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 73.530000000000001 111.016 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 845' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -44.94 158.92 0.27 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 74.540000000000006 109.301 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 846' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 137.38 21.64 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.465 1.771 . . . . 63.32 110.999 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -52.6 145.87 11.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 73.239999999999995 110.253 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 848' ' ' THR . . . . . . . . . . . . . 50.4 p . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 71.239999999999995 110.421 179.988 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.972 -0.851 . . . . 64.430000000000007 110.972 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 781' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -71.62 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.523 1.801 . . . . 73.120000000000005 111.027 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 782' ' ' GLY . . . . . . . . . . . . . . . -86.41 -136.3 4.36 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.493 1.121 . . . . 45.43 111.02 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 783' ' ' THR . . . . . . . . . . . . . 29.1 m -78.01 -0.26 27.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 0.767 . . . . 54.420000000000002 110.401 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 784' ' ' PHE . . . . . 0.55 ' CD1' ' HE3' ' A' ' 814' ' ' LYS . 22.1 m-85 -92.6 172.46 8.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 54.509999999999998 111.031 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 785' ' ' GLY . . . . . 0.675 ' O ' HG23 ' A' ' 786' ' ' THR . . . -164.28 -88.04 0.07 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.484 1.115 . . . . 50.340000000000003 111.005 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 786' ' ' THR . . . . . 0.675 HG23 ' O ' ' A' ' 785' ' ' GLY . 2.5 p -159.8 178.72 9.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 0.736 . . . . 54.43 110.373 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 787' ' ' ALA . . . . . 0.559 ' HB2' HD11 ' A' ' 811' ' ' ILE . . . -142.5 111.82 6.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 62.409999999999997 109.258 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 788' ' ' LYS . . . . . 0.406 ' HB2' ' CZ ' ' A' ' 841' ' ' TYR . 13.2 tttt -79.19 118.32 21.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 74.209999999999994 109.298 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -61.15 139.21 58.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 72.230000000000004 109.289 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 790' ' ' ARG . . . . . 0.422 ' C ' ' CD1' ' A' ' 791' ' ' TYR . 37.3 mmm-85 -118.31 -2.7 11.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 64.310000000000002 110.311 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 791' ' ' TYR . . . . . 0.422 ' CD1' ' C ' ' A' ' 790' ' ' ARG . 22.1 m-85 -143.97 129.38 18.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 73.530000000000001 110.985 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -65.09 96.68 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 61.299999999999997 109.324 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 793' ' ' PHE . . . . . 0.55 ' CE2' ' OE1' ' A' ' 800' ' ' GLU . 1.1 t80 -83.06 175.04 10.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 74.510000000000005 111.04 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 4.3 p -152.35 105.58 3.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 43.329999999999998 108.264 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -69.35 132.96 47.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 44.340000000000003 109.371 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.53 -18.27 14.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 65.140000000000001 110.343 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -144.99 174.19 11.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 64.310000000000002 109.287 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -72.26 -14.13 61.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 75.109999999999999 110.326 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 2.9 p -84.0 7.92 16.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 71.140000000000001 110.002 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 800' ' ' GLU . . . . . 0.55 ' OE1' ' CE2' ' A' ' 793' ' ' PHE . 29.2 tt0 -129.07 142.23 50.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 73.530000000000001 110.315 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 801' ' ' LEU . . . . . 0.636 HD23 ' H ' ' A' ' 802' ' ' SER . 0.8 OUTLIER -91.03 139.23 30.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.085 . . . . 64.310000000000002 109.297 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 802' ' ' SER . . . . . 0.636 ' H ' HD23 ' A' ' 801' ' ' LEU . 0.9 OUTLIER -80.83 105.17 11.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 42.329999999999998 110.025 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 803' ' ' LEU . . . . . 0.824 HD11 HG12 ' A' ' 809' ' ' ILE . 0.4 OUTLIER -99.96 154.35 18.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 72.040000000000006 109.308 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 7.3 tptm -157.35 115.45 3.16 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 74.340000000000003 109.267 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 805' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 791' ' ' TYR . 4.5 mt-10 -39.29 142.31 0.27 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 74.310000000000002 110.318 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 79.26 13.82 82.36 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.519 1.137 . . . . 71.310000000000002 110.975 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -120.05 159.37 24.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 0.784 . . . . 75.099999999999994 109.321 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 808' ' ' ILE . . . . . 0.774 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -108.68 148.23 12.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 71.430000000000007 109.263 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 809' ' ' ILE . . . . . 0.824 HG12 HD11 ' A' ' 803' ' ' LEU . 1.9 mp -120.16 116.42 50.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 73.129999999999995 109.305 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 810' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -72.99 113.42 10.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 61.229999999999997 109.301 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 811' ' ' ILE . . . . . 0.559 HD11 ' HB2' ' A' ' 787' ' ' ALA . 5.6 mm -70.88 128.52 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 74.219999999999999 109.331 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 812' ' ' LEU . . . . . . . . . . . . . 2.8 mt -120.11 -48.59 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 71.319999999999993 109.295 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 813' ' ' ASN . . . . . 0.456 ' HB2' ' CZ ' ' A' ' 822' ' ' ARG . 9.0 t-20 -120.33 149.42 42.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 73.439999999999998 109.32 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 814' ' ' LYS . . . . . 0.55 ' HE3' ' CD1' ' A' ' 784' ' ' PHE . 1.3 mmmp? -136.71 77.21 1.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 74.239999999999995 109.281 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 5.1 mmmt -41.52 -76.02 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 74.239999999999995 109.295 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 816' ' ' GLY . . . . . . . . . . . . . . . -148.44 177.96 26.34 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.543 1.152 . . . . 61.030000000000001 111.028 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -81.63 129.48 34.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 0.759 . . . . 75.420000000000002 110.316 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 71.62 37.36 1.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 64.430000000000007 110.286 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . -123.32 -115.88 2.24 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.512 1.132 . . . . 71.140000000000001 110.964 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 820' ' ' TRP . . . . . 0.509 ' CZ3' ' CG ' ' A' ' 831' ' ' TRP . 1.1 p-90 -142.84 120.31 11.69 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.006 -1.109 . . . . 74.540000000000006 108.006 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 821' ' ' TRP . . . . . 0.54 ' CD1' ' HD2' ' A' ' 814' ' ' LYS . 21.6 m0 -91.61 158.93 16.15 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.958 -1.127 . . . . 71.430000000000007 107.958 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 822' ' ' ARG . . . . . 0.566 ' HG3' ' CD1' ' A' ' 831' ' ' TRP . 44.4 ttp180 -117.65 119.6 35.46 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 75.140000000000001 110.318 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 823' ' ' GLY . . . . . 0.586 ' C ' HD11 ' A' ' 801' ' ' LEU . . . -136.93 -161.24 8.92 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.529 1.143 . . . . 71.109999999999999 110.999 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 824' ' ' GLU . . . . . 0.934 ' HB2' HD13 ' A' ' 829' ' ' ILE . 19.2 tt0 -152.4 158.61 42.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 0.769 . . . . 71.409999999999997 110.315 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 825' ' ' ILE . . . . . 0.559 HG22 ' CD2' ' A' ' 826' ' ' TYR . 2.0 mt -150.78 123.33 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 73.329999999999998 109.318 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 826' ' ' TYR . . . . . 0.559 ' CD2' HG22 ' A' ' 825' ' ' ILE . 6.7 m-85 60.12 26.79 16.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 73.409999999999997 110.956 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 827' ' ' GLY . . . . . 0.402 ' C ' ' OE2' ' A' ' 824' ' ' GLU . . . 89.9 -2.84 82.48 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.476 1.11 . . . . 62.109999999999999 110.995 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 828' ' ' ARG . . . . . 0.406 ' O ' ' HA ' ' A' ' 824' ' ' GLU . 34.1 mtt180 -87.06 111.97 21.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 0.749 . . . . 71.5 110.266 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 829' ' ' ILE . . . . . 0.934 HD13 ' HB2' ' A' ' 824' ' ' GLU . 3.2 mm -87.54 155.92 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 73.420000000000002 109.306 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 163.87 -170.67 39.25 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.472 1.108 . . . . 74.409999999999997 110.982 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 831' ' ' TRP . . . . . 0.566 ' CD1' ' HG3' ' A' ' 822' ' ' ARG . 14.0 m95 -123.7 -176.06 3.37 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.988 -1.116 . . . . 71.129999999999995 107.988 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 832' ' ' PHE . . . . . 0.798 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 34.9 p90 -178.36 160.93 1.18 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 53.240000000000002 110.99 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 833' ' ' PRO . . . . . 0.506 ' HG2' ' CG ' ' A' ' 836' ' ' TYR . 18.2 Cg_endo -75.03 148.59 35.37 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.475 1.776 . . . . 72.219999999999999 111.005 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 5.0 p -81.32 3.92 22.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 55.329999999999998 110.011 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -105.48 -0.04 26.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 72.150000000000006 109.267 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 836' ' ' TYR . . . . . 0.506 ' CG ' ' HG2' ' A' ' 833' ' ' PRO . 6.8 m-85 -116.34 8.46 14.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 70.530000000000001 111.011 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 837' ' ' VAL . . . . . 0.74 HG21 ' CE2' ' A' ' 832' ' ' PHE . 6.6 m -151.65 163.91 2.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 72.430000000000007 109.301 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 838' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -135.93 129.74 32.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 71.019999999999996 110.294 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 839' ' ' GLU . . . . . 0.402 ' C ' ' CD ' ' A' ' 839' ' ' GLU . 0.1 OUTLIER -120.16 169.02 10.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 63.549999999999997 110.253 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 16.8 t0 54.87 28.71 10.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 64.209999999999994 109.326 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 841' ' ' TYR . . . . . 0.407 ' CE1' ' OG ' ' A' ' 842' ' ' SER . 37.1 p90 -85.2 -32.77 22.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 74.439999999999998 111.013 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 842' ' ' SER . . . . . 0.407 ' OG ' ' CE1' ' A' ' 841' ' ' TYR . 83.0 p -156.3 154.99 31.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.147 . . . . 74.310000000000002 109.981 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -140.83 126.0 18.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 73.310000000000002 110.277 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 844' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -118.03 46.77 1.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 75.549999999999997 111.027 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 845' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 845' ' ' LEU . 27.9 mt -53.71 159.01 2.77 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 64.109999999999999 109.327 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 846' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 162.87 36.51 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.522 1.801 . . . . 74.219999999999999 110.995 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -74.74 -179.28 4.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 75.400000000000006 110.311 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 848' ' ' THR . . . . . . . . . . . . . 9.6 m . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 75.219999999999999 110.408 -179.959 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.014 -0.835 . . . . 65.549999999999997 111.014 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 781' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 158.06 42.38 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.431 1.753 . . . . 74.0 111.014 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 782' ' ' GLY . . . . . . . . . . . . . . . -89.87 -115.34 1.59 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.449 1.093 . . . . 73.219999999999999 111.021 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 783' ' ' THR . . . . . . . . . . . . . 4.3 m 71.0 35.14 1.71 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 0.756 . . . . 61.240000000000002 110.352 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 784' ' ' PHE . . . . . 0.547 ' CE1' ' HB2' ' A' ' 814' ' ' LYS . 23.2 m-85 -100.88 174.19 6.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 72.019999999999996 111.019 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 785' ' ' GLY . . . . . 0.524 ' O ' HG23 ' A' ' 786' ' ' THR . . . -145.12 -94.13 0.17 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.487 1.117 . . . . 74.109999999999999 111.0 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 786' ' ' THR . . . . . 0.524 HG23 ' O ' ' A' ' 785' ' ' GLY . 2.4 p -154.78 172.83 17.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 0.767 . . . . 65.340000000000003 110.448 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 787' ' ' ALA . . . . . 0.745 ' HB2' HD11 ' A' ' 811' ' ' ILE . . . -146.28 104.52 3.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 63.200000000000003 109.315 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 788' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 838' ' ' GLU . 36.2 tttt -65.38 132.63 49.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 52.530000000000001 109.288 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 789' ' ' ALA . . . . . 0.451 ' HB2' ' CD1' ' A' ' 809' ' ' ILE . . . -77.34 127.36 32.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 72.129999999999995 109.281 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 790' ' ' ARG . . . . . 0.475 ' C ' ' CG ' ' A' ' 791' ' ' TYR . 17.7 mmm180 -99.56 -2.32 36.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 63.329999999999998 110.286 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 791' ' ' TYR . . . . . 0.475 ' CG ' ' C ' ' A' ' 790' ' ' ARG . 51.0 m-85 -159.17 128.73 5.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 74.409999999999997 111.008 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 19.2 p-10 -64.88 115.89 5.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 71.430000000000007 109.311 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 793' ' ' PHE . . . . . 0.464 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.1 t80 -104.85 125.4 50.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 75.430000000000007 110.981 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 5.0 t -92.72 103.48 15.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 62.399999999999999 108.275 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -61.25 105.59 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 74.430000000000007 109.292 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 4.5 ptm85 -56.56 -21.36 25.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 73.439999999999998 110.342 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -157.01 -178.92 7.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 70.239999999999995 109.312 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 7.5 tpt85 -72.3 -6.01 40.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 70.530000000000001 110.3 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 2.4 p -80.24 -11.63 59.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 75.239999999999995 109.962 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -117.72 150.41 39.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 74.439999999999998 110.318 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 801' ' ' LEU . . . . . 0.639 HD23 ' H ' ' A' ' 802' ' ' SER . 0.8 OUTLIER -88.69 139.63 30.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 74.239999999999995 109.295 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 802' ' ' SER . . . . . 0.639 ' H ' HD23 ' A' ' 801' ' ' LEU . 1.3 t -81.73 108.29 15.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.158 . . . . 55.530000000000001 109.999 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 803' ' ' LEU . . . . . 0.563 HD11 HG12 ' A' ' 809' ' ' ILE . 0.8 OUTLIER -97.0 157.63 15.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 74.099999999999994 109.321 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 804' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 805' ' ' GLU . 8.1 tmtt? -156.87 110.86 2.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 74.209999999999994 109.284 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 805' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 804' ' ' LYS . 10.3 mt-10 -38.85 134.27 1.01 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 53.439999999999998 110.257 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 92.16 -9.33 76.56 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.477 1.111 . . . . 64.030000000000001 111.018 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -96.8 163.65 12.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 73.420000000000002 109.314 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 808' ' ' ILE . . . . . 0.664 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -116.09 135.67 55.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 65.340000000000003 109.221 -179.933 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 809' ' ' ILE . . . . . 0.906 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.3 mp -102.23 113.81 39.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 72.400000000000006 109.256 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 810' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 811' ' ' ILE . 11.7 tptt -66.54 114.88 5.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 72.109999999999999 109.331 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 811' ' ' ILE . . . . . 0.745 HD11 ' HB2' ' A' ' 787' ' ' ALA . 3.8 mm -78.38 131.76 33.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 62.329999999999998 109.296 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 812' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.97 -43.98 2.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 72.450000000000003 109.296 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -133.12 145.49 50.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 73.129999999999995 109.299 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 814' ' ' LYS . . . . . 0.586 ' HA ' ' CD1' ' A' ' 821' ' ' TRP . 13.3 mtmt -134.86 90.23 2.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 73.310000000000002 109.326 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 815' ' ' LYS . . . . . 0.522 ' HZ2' ' HA ' ' A' ' 815' ' ' LYS . 0.0 OUTLIER -40.52 -34.99 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 71.319999999999993 109.311 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 816' ' ' GLY . . . . . . . . . . . . . . . 102.84 -37.83 3.51 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 42.329999999999998 111.025 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 22.3 mp0 -69.1 -177.15 1.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.761 . . . . 75.340000000000003 110.263 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -94.28 31.05 1.78 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 74.450000000000003 110.273 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . -84.45 -96.86 0.65 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 61.229999999999997 111.033 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 820' ' ' TRP . . . . . 0.732 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.37 172.89 12.07 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.012 -1.107 . . . . 64.140000000000001 108.012 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 821' ' ' TRP . . . . . 0.586 ' CD1' ' HA ' ' A' ' 814' ' ' LYS . 12.0 m0 -130.3 140.58 50.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 71.140000000000001 108.016 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 822' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -89.12 127.33 35.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 71.219999999999999 110.29 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -151.56 -166.1 13.61 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.525 1.141 . . . . 72.230000000000004 111.004 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 824' ' ' GLU . . . . . 0.913 ' HB2' HD13 ' A' ' 829' ' ' ILE . 19.9 tt0 -157.8 159.44 36.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 0.768 . . . . 72.519999999999996 110.276 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 825' ' ' ILE . . . . . 0.563 HG22 ' CD2' ' A' ' 826' ' ' TYR . 2.8 mt -151.88 133.8 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 72.209999999999994 109.272 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 826' ' ' TYR . . . . . 0.563 ' CD2' HG22 ' A' ' 825' ' ' ILE . 19.0 m-85 56.69 16.78 2.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 75.400000000000006 111.011 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 91.31 20.66 37.62 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.455 1.097 . . . . 52.5 110.968 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 828' ' ' ARG . . . . . 0.418 ' N ' ' HG3' ' A' ' 824' ' ' GLU . 6.1 mmt85 -113.2 116.8 30.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 0.793 . . . . 74.439999999999998 110.278 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 829' ' ' ILE . . . . . 0.913 HD13 ' HB2' ' A' ' 824' ' ' GLU . 2.6 mm -87.19 152.7 3.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 74.200000000000003 109.314 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 177.95 -163.93 32.48 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.467 1.104 . . . . 53.530000000000001 110.965 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 831' ' ' TRP . . . . . 0.732 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 64.1 m95 -129.67 165.9 20.88 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.014 -1.106 . . . . 73.150000000000006 108.014 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 832' ' ' PHE . . . . . 0.906 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 29.8 p90 -174.1 154.14 2.12 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 73.239999999999995 110.966 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 833' ' ' PRO . . . . . 0.4 ' HG2' ' CD1' ' A' ' 836' ' ' TYR . 18.4 Cg_endo -75.04 147.57 33.95 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.494 1.786 . . . . 52.340000000000003 111.004 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 834' ' ' SER . . . . . 0.562 ' HB2' ' CZ3' ' A' ' 821' ' ' TRP . 23.4 p -82.2 3.56 26.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 62.409999999999997 110.023 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -100.38 -6.28 25.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 74.400000000000006 109.283 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 836' ' ' TYR . . . . . 0.4 ' CD1' ' HG2' ' A' ' 833' ' ' PRO . 5.7 m-85 -108.25 -6.23 16.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 75.010000000000005 111.03 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 837' ' ' VAL . . . . . 0.713 HG21 ' HE2' ' A' ' 832' ' ' PHE . 16.1 m -122.74 176.54 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 64.120000000000005 109.362 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 838' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 788' ' ' LYS . 7.3 mt-10 -111.01 178.65 4.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 64.150000000000006 110.3 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 839' ' ' GLU . . . . . 0.436 ' C ' ' N ' ' A' ' 841' ' ' TYR . 19.5 mp0 -151.42 131.2 13.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 72.140000000000001 110.294 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 42.4 t0 40.98 29.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 73.150000000000006 109.292 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 841' ' ' TYR . . . . . 0.436 ' N ' ' C ' ' A' ' 839' ' ' GLU . 9.8 p90 -51.26 -37.6 48.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 63.030000000000001 111.057 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 842' ' ' SER . . . . . 0.424 ' N ' ' CD1' ' A' ' 841' ' ' TYR . 53.0 p -155.39 160.71 40.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 53.240000000000002 110.016 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 843' ' ' GLU . . . . . 0.492 ' HB3' HD23 ' A' ' 845' ' ' LEU . 16.6 mt-10 -101.19 137.71 39.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 70.319999999999993 110.29 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 844' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -123.25 51.88 1.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 63.210000000000001 111.0 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 845' ' ' LEU . . . . . 0.492 HD23 ' HB3' ' A' ' 843' ' ' GLU . 2.7 mm? -65.25 158.82 70.34 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 71.420000000000002 109.269 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 846' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 162.58 36.87 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.52 1.8 . . . . 62.310000000000002 111.013 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -68.87 -19.33 64.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.153 . . . . 72.150000000000006 110.324 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 848' ' ' THR . . . . . . . . . . . . . 21.7 m . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 75.430000000000007 110.351 -179.982 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.985 -0.846 . . . . 43.439999999999998 110.985 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 781' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 93.88 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.456 1.766 . . . . 73.219999999999999 110.963 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 782' ' ' GLY . . . . . . . . . . . . . . . 158.68 117.68 0.5 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.449 1.093 . . . . 42.219999999999999 111.016 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 783' ' ' THR . . . . . 0.429 HG22 ' H ' ' A' ' 785' ' ' GLY . 43.8 m -73.08 -60.86 2.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 0.776 . . . . 74.340000000000003 110.442 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 784' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 814' ' ' LYS . 3.6 m-85 52.71 30.83 9.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 71.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 785' ' ' GLY . . . . . 0.532 ' O ' HG23 ' A' ' 786' ' ' THR . . . -74.92 -82.75 0.42 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.13 . . . . 43.32 111.001 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 786' ' ' THR . . . . . 0.532 HG23 ' O ' ' A' ' 785' ' ' GLY . 3.1 p -155.38 170.31 22.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 0.792 . . . . 64.25 110.443 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 787' ' ' ALA . . . . . 0.842 ' HB2' HD11 ' A' ' 811' ' ' ILE . . . -145.51 105.0 3.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 54.329999999999998 109.328 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 788' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 838' ' ' GLU . 12.7 tttt -68.32 122.76 19.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 72.319999999999993 109.29 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 789' ' ' ALA . . . . . 0.478 ' HB2' ' CD1' ' A' ' 809' ' ' ILE . . . -71.82 138.3 48.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 74.349999999999994 109.306 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 790' ' ' ARG . . . . . 0.415 ' C ' ' CG ' ' A' ' 791' ' ' TYR . 6.3 mmp_? -107.59 -2.84 19.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.087 . . . . 74.319999999999993 110.31 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 791' ' ' TYR . . . . . 0.425 ' CA ' ' HG3' ' A' ' 805' ' ' GLU . 67.9 m-85 -156.66 128.44 7.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 71.150000000000006 111.022 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -64.28 123.19 18.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 74.409999999999997 109.272 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 793' ' ' PHE . . . . . 0.464 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.1 t80 -111.05 113.27 25.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.15 . . . . 74.519999999999996 111.017 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 14.6 t -81.97 107.22 14.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 63.299999999999997 108.278 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 795' ' ' ALA . . . . . 0.437 ' HB1' ' HB3' ' A' ' 800' ' ' GLU . . . -68.83 138.67 54.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 44.219999999999999 109.319 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.52 -12.08 12.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 74.340000000000003 110.296 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -140.17 155.37 46.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 74.540000000000006 109.294 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 798' ' ' ARG . . . . . 0.419 ' HD3' ' N ' ' A' ' 798' ' ' ARG . 0.0 OUTLIER -63.57 -12.45 32.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 74.109999999999999 110.273 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 88.5 p -86.77 7.87 25.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 65.349999999999994 110.021 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 800' ' ' GLU . . . . . 0.437 ' HB3' ' HB1' ' A' ' 795' ' ' ALA . 1.7 tp10 -122.87 151.91 41.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 74.5 110.277 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 801' ' ' LEU . . . . . 0.626 HD23 ' H ' ' A' ' 802' ' ' SER . 0.9 OUTLIER -101.9 138.39 38.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 74.140000000000001 109.35 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 802' ' ' SER . . . . . 0.626 ' H ' HD23 ' A' ' 801' ' ' LEU . 1.0 OUTLIER -80.47 106.44 12.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 62.43 109.98 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 803' ' ' LEU . . . . . 0.464 ' HB2' ' CB ' ' A' ' 793' ' ' PHE . 0.9 OUTLIER -95.37 156.73 16.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 61.329999999999998 109.325 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -155.12 111.56 3.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 61.299999999999997 109.309 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 805' ' ' GLU . . . . . 0.425 ' HG3' ' CA ' ' A' ' 791' ' ' TYR . 5.6 mt-10 -38.91 136.53 0.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 71.329999999999998 110.321 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 85.86 5.31 83.94 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.462 1.101 . . . . 54.100000000000001 111.022 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -108.53 165.24 11.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.765 . . . . 74.109999999999999 109.296 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 808' ' ' ILE . . . . . 0.684 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -116.29 138.2 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 61.340000000000003 109.322 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 809' ' ' ILE . . . . . 0.926 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.4 mp -107.77 114.77 47.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 75.239999999999995 109.309 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 810' ' ' LYS . . . . . 0.405 ' HD2' ' N ' ' A' ' 811' ' ' ILE . 22.1 tptt -68.9 113.41 6.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 74.010000000000005 109.266 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 811' ' ' ILE . . . . . 0.842 HD11 ' HB2' ' A' ' 787' ' ' ALA . 3.0 mm -72.89 121.69 24.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 60.43 109.321 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 812' ' ' LEU . . . . . 0.458 HD12 ' CA ' ' A' ' 823' ' ' GLY . 1.4 mt -112.74 -48.98 2.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 63.119999999999997 109.299 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -121.82 152.03 39.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 75.200000000000003 109.336 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 814' ' ' LYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 784' ' ' PHE . 8.7 mtmt -136.99 81.18 1.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 73.319999999999993 109.292 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 18.6 mmmt -40.32 -30.01 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 74.239999999999995 109.304 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 816' ' ' GLY . . . . . 0.448 ' N ' ' C ' ' A' ' 814' ' ' LYS . . . 99.59 -66.98 0.6 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.466 1.104 . . . . 34.100000000000001 111.007 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -46.6 172.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 0.743 . . . . 72.519999999999996 110.303 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -86.94 44.79 1.2 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 75.400000000000006 110.32 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . -96.71 -92.42 1.84 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.462 1.101 . . . . 61.329999999999998 111.03 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 820' ' ' TRP . . . . . 0.693 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.38 172.7 12.33 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.01 -1.108 . . . . 75.129999999999995 108.01 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 821' ' ' TRP . . . . . 0.549 ' O ' ' CE1' ' A' ' 832' ' ' PHE . 11.1 m0 -133.03 139.18 47.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 75.420000000000002 107.984 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 822' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -81.78 141.71 33.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 74.349999999999994 110.278 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 823' ' ' GLY . . . . . 0.458 ' CA ' HD12 ' A' ' 812' ' ' LEU . . . -166.2 -164.24 21.35 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.472 1.107 . . . . 71.409999999999997 111.021 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 824' ' ' GLU . . . . . 0.952 ' HB2' HD13 ' A' ' 829' ' ' ILE . 19.6 tt0 -161.23 159.12 28.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 0.748 . . . . 74.439999999999998 110.34 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 825' ' ' ILE . . . . . 0.565 HG22 ' CD2' ' A' ' 826' ' ' TYR . 2.9 mt -151.94 135.21 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 64.219999999999999 109.319 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 826' ' ' TYR . . . . . 0.565 ' CD2' HG22 ' A' ' 825' ' ' ILE . 22.1 m-85 56.07 16.93 2.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 73.239999999999995 110.994 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 90.52 22.04 35.52 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.49 1.119 . . . . 62.299999999999997 111.018 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 828' ' ' ARG . . . . . 0.416 ' N ' ' HG3' ' A' ' 824' ' ' GLU . 13.1 mmt-85 -114.94 117.78 31.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 0.773 . . . . 63.340000000000003 110.332 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 829' ' ' ILE . . . . . 0.952 HD13 ' HB2' ' A' ' 824' ' ' GLU . 2.9 mm -87.25 152.4 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 72.120000000000005 109.281 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 177.16 -164.53 33.92 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 51.340000000000003 110.992 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 831' ' ' TRP . . . . . 0.693 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 56.4 m95 -129.21 157.2 42.51 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.001 -1.111 . . . . 74.409999999999997 108.001 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 832' ' ' PHE . . . . . 0.926 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 31.8 p90 -161.81 153.25 15.59 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 74.099999999999994 111.007 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 147.95 34.65 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.522 1.801 . . . . 72.219999999999999 111.026 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 834' ' ' SER . . . . . 0.514 ' OG ' ' CZ3' ' A' ' 821' ' ' TRP . 30.3 t -85.16 3.44 39.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 73.120000000000005 109.989 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -96.97 -7.88 31.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 60.450000000000003 109.321 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -111.87 -9.6 14.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 64.420000000000002 110.978 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 837' ' ' VAL . . . . . 0.836 HG21 ' HE2' ' A' ' 832' ' ' PHE . 15.6 m -122.18 161.68 22.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 74.109999999999999 109.283 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 838' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 788' ' ' LYS . 47.3 mm-40 -134.0 123.66 24.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.093 . . . . 75.040000000000006 110.303 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 839' ' ' GLU . . . . . 0.485 ' OE2' ' CH2' ' A' ' 821' ' ' TRP . 1.3 pt-20 -113.55 -179.6 3.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 72.310000000000002 110.271 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 58.6 t0 41.19 51.59 3.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 51.350000000000001 109.307 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 841' ' ' TYR . . . . . 0.499 ' CD1' ' N ' ' A' ' 842' ' ' SER . 19.9 p90 -106.13 -34.41 7.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 74.239999999999995 110.989 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 842' ' ' SER . . . . . 0.499 ' N ' ' CD1' ' A' ' 841' ' ' TYR . 26.1 p -154.22 137.8 16.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 75.129999999999995 110.008 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -106.49 -177.88 3.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 72.230000000000004 110.306 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 844' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -104.32 46.56 0.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 74.310000000000002 111.036 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 845' ' ' LEU . . . . . 0.438 HD13 ' HA ' ' A' ' 845' ' ' LEU . 4.0 mm? -41.66 155.91 0.22 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 72.040000000000006 109.343 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 846' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 137.17 21.3 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.492 1.785 . . . . 74.340000000000003 111.012 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 33.6 mp0 -78.19 170.92 15.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 71.549999999999997 110.293 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 848' ' ' THR . . . . . . . . . . . . . 38.0 p . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 73.420000000000002 110.401 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.003 -0.839 . . . . 72.319999999999993 111.003 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 781' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 150.84 38.83 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.532 1.806 . . . . 72.200000000000003 111.001 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 782' ' ' GLY . . . . . . . . . . . . . . . -149.52 -177.74 23.88 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.518 1.136 . . . . 41.32 110.988 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 783' ' ' THR . . . . . . . . . . . . . 6.3 m -122.23 -68.63 0.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.76 . . . . 75.030000000000001 110.445 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 784' ' ' PHE . . . . . 0.444 ' CE1' ' HE3' ' A' ' 814' ' ' LYS . 31.4 m-85 -77.5 170.09 17.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 64.439999999999998 111.026 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . -128.42 -114.92 1.82 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.545 1.153 . . . . 74.099999999999994 110.954 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 786' ' ' THR . . . . . 0.475 HG22 ' HA ' ' A' ' 810' ' ' LYS . 2.9 p -133.56 172.59 12.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 0.758 . . . . 74.540000000000006 110.38 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 787' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 838' ' ' GLU . . . -134.7 106.53 6.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 70.349999999999994 109.28 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 788' ' ' LYS . . . . . 0.559 ' HB2' ' CE2' ' A' ' 841' ' ' TYR . 8.4 tttt -68.49 121.88 17.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 42.520000000000003 109.3 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -72.06 128.41 35.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 64.200000000000003 109.301 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 790' ' ' ARG . . . . . 0.482 ' HB2' ' CE2' ' A' ' 791' ' ' TYR . 16.0 mmm180 -97.8 -4.77 36.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 75.25 110.268 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 791' ' ' TYR . . . . . 0.482 ' CE2' ' HB2' ' A' ' 790' ' ' ARG . 26.3 m-85 -154.62 129.01 9.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 72.540000000000006 110.994 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -64.01 123.22 18.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 64.530000000000001 109.303 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 793' ' ' PHE . . . . . 0.465 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.1 t80 -111.34 114.06 26.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 75.219999999999999 110.97 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 33.8 m -80.08 125.2 29.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 72.329999999999998 108.31 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -86.63 140.1 30.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 62.119999999999997 109.331 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.91 -9.91 11.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 75.239999999999995 110.333 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -154.8 166.22 34.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 75.439999999999998 109.32 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 1.3 ptp85 -65.4 -13.2 58.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 70.329999999999998 110.318 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 93.4 p -83.83 7.78 16.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 71.340000000000003 109.999 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -128.06 152.91 47.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 60.0 110.312 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 801' ' ' LEU . . . . . 0.449 HD23 ' N ' ' A' ' 802' ' ' SER . 1.0 OUTLIER -107.39 135.11 49.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 50.030000000000001 109.308 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 802' ' ' SER . . . . . 0.449 ' N ' HD23 ' A' ' 801' ' ' LEU . 0.9 OUTLIER -79.03 105.68 10.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 52.140000000000001 109.99 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 803' ' ' LEU . . . . . 0.532 ' HG ' HD11 ' A' ' 809' ' ' ILE . 1.7 mp -97.51 161.83 13.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 75.140000000000001 109.295 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -158.09 110.7 2.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 64.200000000000003 109.309 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -38.79 133.82 1.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 74.129999999999995 110.31 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 90.59 -2.36 80.29 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.534 1.146 . . . . 42.130000000000003 110.997 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -100.24 165.61 11.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 0.763 . . . . 72.430000000000007 109.281 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 808' ' ' ILE . . . . . 0.591 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -117.23 141.27 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 63.210000000000001 109.287 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 809' ' ' ILE . . . . . 0.963 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.7 mp -106.34 114.59 45.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 73.349999999999994 109.291 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 810' ' ' LYS . . . . . 0.475 ' HA ' HG22 ' A' ' 786' ' ' THR . 15.2 tptt -75.01 115.12 14.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 63.130000000000003 109.275 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 811' ' ' ILE . . . . . 0.469 ' CG2' ' HB2' ' A' ' 814' ' ' LYS . 2.8 mm -72.33 139.04 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 73.129999999999995 109.278 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 812' ' ' LEU . . . . . 0.464 HD21 ' HG3' ' A' ' 810' ' ' LYS . 0.7 OUTLIER -132.53 -55.53 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 74.120000000000005 109.274 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 813' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' A' ' 815' ' ' LYS . 10.0 t-20 -83.64 -76.52 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 74.120000000000005 109.326 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 814' ' ' LYS . . . . . 0.592 ' HA ' ' CD1' ' A' ' 821' ' ' TRP . 6.2 tmtt? 69.11 65.85 0.28 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 72.409999999999997 109.283 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 815' ' ' LYS . . . . . 0.515 ' NZ ' ' CD1' ' A' ' 820' ' ' TRP . 18.1 mtmm -51.61 -22.35 3.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 74.040000000000006 109.262 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 816' ' ' GLY . . . . . . . . . . . . . . . 87.94 -51.25 4.03 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.444 1.09 . . . . 73.340000000000003 111.029 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -43.4 154.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 0.783 . . . . 75.129999999999995 110.319 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -76.41 56.53 1.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 74.439999999999998 110.303 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . -119.36 -92.53 1.42 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 73.25 110.988 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 820' ' ' TRP . . . . . 0.736 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.4 172.75 12.26 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.96 -1.126 . . . . 74.230000000000004 107.96 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 821' ' ' TRP . . . . . 0.596 ' O ' ' CD1' ' A' ' 832' ' ' PHE . 14.0 m0 -126.72 138.94 53.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 73.049999999999997 107.975 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 822' ' ' ARG . . . . . 0.519 ' HG3' ' CE2' ' A' ' 831' ' ' TRP . 5.5 ttt180 -98.06 93.63 6.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 61.329999999999998 110.339 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -116.33 -156.86 10.88 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.55 1.156 . . . . 51.240000000000002 111.013 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 824' ' ' GLU . . . . . 0.897 ' HB2' HD13 ' A' ' 829' ' ' ILE . 0.5 OUTLIER -160.14 150.78 18.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 0.781 . . . . 63.310000000000002 110.293 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 825' ' ' ILE . . . . . 0.484 ' CD1' ' O ' ' A' ' 808' ' ' ILE . 3.3 mt -140.0 128.79 26.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 75.150000000000006 109.312 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 826' ' ' TYR . . . . . 0.582 ' HD2' HH21 ' A' ' 828' ' ' ARG . 4.8 m-30 58.63 23.0 10.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 74.040000000000006 110.963 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 87.76 12.93 65.72 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.475 1.109 . . . . 61.310000000000002 110.979 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 828' ' ' ARG . . . . . 0.582 HH21 ' HD2' ' A' ' 826' ' ' TYR . 65.0 mtm180 -104.41 117.04 33.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 0.756 . . . . 75.409999999999997 110.305 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 829' ' ' ILE . . . . . 0.897 HD13 ' HB2' ' A' ' 824' ' ' GLU . 2.5 mm -87.32 157.34 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 71.140000000000001 109.283 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 830' ' ' GLY . . . . . 0.405 ' CA ' ' HG ' ' A' ' 801' ' ' LEU . . . 169.33 -177.24 43.06 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.468 1.105 . . . . 64.0 110.96 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 831' ' ' TRP . . . . . 0.736 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 75.5 m95 -114.52 146.74 40.35 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.962 -1.125 . . . . 61.43 107.962 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 832' ' ' PHE . . . . . 0.963 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 32.5 p90 -152.19 151.29 27.35 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 73.549999999999997 111.0 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 147.48 34.07 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.51 1.795 . . . . 53.200000000000003 110.977 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 834' ' ' SER . . . . . 0.486 ' HA ' HG22 ' A' ' 837' ' ' VAL . 23.3 p -87.17 -5.26 59.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 52.119999999999997 110.029 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -94.31 1.76 55.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 71.219999999999999 109.299 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -118.8 -8.0 10.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 65.439999999999998 111.028 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 837' ' ' VAL . . . . . 0.845 HG21 ' HE2' ' A' ' 832' ' ' PHE . 31.0 m -117.68 174.89 3.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 71.430000000000007 109.303 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 838' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 788' ' ' LYS . 14.1 mt-10 -109.76 178.11 4.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 75.430000000000007 110.314 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 839' ' ' GLU . . . . . 0.437 ' C ' ' N ' ' A' ' 841' ' ' TYR . 6.9 mp0 -151.55 128.34 10.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 74.140000000000001 110.311 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 34.3 t70 42.18 28.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 60.229999999999997 109.334 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 841' ' ' TYR . . . . . 0.559 ' CE2' ' HB2' ' A' ' 788' ' ' LYS . 4.1 p90 -44.78 -37.26 3.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.112 . . . . 53.420000000000002 111.024 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 842' ' ' SER . . . . . . . . . . . . . 53.0 p -150.79 152.32 33.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 75.239999999999995 110.002 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -97.03 117.63 31.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 75.310000000000002 110.278 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 844' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -89.18 37.1 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 62.520000000000003 111.015 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 845' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.16 163.39 0.35 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 65.5 109.334 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 846' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 146.62 32.94 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.497 1.788 . . . . 72.329999999999998 110.994 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -65.19 159.66 23.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 73.120000000000005 110.309 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 848' ' ' THR . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 72.049999999999997 110.386 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.023 -0.831 . . . . 71.239999999999995 111.023 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 781' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -178.26 4.04 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.462 1.769 . . . . 71.040000000000006 111.023 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 782' ' ' GLY . . . . . . . . . . . . . . . -143.73 124.39 2.26 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.497 1.123 . . . . 74.340000000000003 111.025 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 783' ' ' THR . . . . . . . . . . . . . 7.4 m -51.0 127.25 18.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 0.727 . . . . 75.530000000000001 110.389 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 784' ' ' PHE . . . . . 0.48 ' CD2' ' HE3' ' A' ' 814' ' ' LYS . 11.9 m-85 -73.35 166.14 23.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 70.510000000000005 111.001 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . -150.96 -62.15 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.465 1.103 . . . . 71.439999999999998 110.984 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 2.3 p -150.44 167.59 26.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 0.756 . . . . 72.099999999999994 110.379 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 787' ' ' ALA . . . . . 0.525 ' HB1' ' O ' ' A' ' 838' ' ' GLU . . . -136.34 118.71 15.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 44.340000000000003 109.309 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 788' ' ' LYS . . . . . . . . . . . . . 10.6 tttt -78.39 119.98 22.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 73.510000000000005 109.305 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 789' ' ' ALA . . . . . 0.464 ' HB2' ' CD1' ' A' ' 809' ' ' ILE . . . -65.27 136.69 56.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 74.239999999999995 109.285 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 790' ' ' ARG . . . . . 0.596 ' C ' ' CD1' ' A' ' 791' ' ' TYR . 40.3 mmm-85 -117.28 7.35 12.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.085 . . . . 75.420000000000002 110.336 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 791' ' ' TYR . . . . . 0.596 ' CD1' ' C ' ' A' ' 790' ' ' ARG . 31.8 m-85 -151.61 138.17 18.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 53.420000000000002 111.002 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -73.92 117.17 15.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 73.25 109.324 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 793' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -126.55 113.7 17.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 75.230000000000004 110.963 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 81.2 m -84.37 143.05 29.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 73.340000000000003 108.308 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -99.37 101.86 13.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 70.439999999999998 109.306 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 8.6 mmt85 -50.7 -27.77 7.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 64.209999999999994 110.304 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -157.07 -176.75 6.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 74.420000000000002 109.341 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -69.2 -7.42 36.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 73.120000000000005 110.272 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 3.3 p -74.25 -18.56 60.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.457 1.098 . . . . 74.319999999999993 110.007 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -115.17 149.77 37.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 70.420000000000002 110.278 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 801' ' ' LEU . . . . . 0.643 HD23 ' N ' ' A' ' 802' ' ' SER . 1.0 OUTLIER -84.37 132.94 34.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 73.319999999999993 109.321 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 802' ' ' SER . . . . . 0.643 ' N ' HD23 ' A' ' 801' ' ' LEU . 0.1 OUTLIER -71.16 99.85 1.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 74.030000000000001 110.003 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 803' ' ' LEU . . . . . 0.525 HD21 ' CG1' ' A' ' 837' ' ' VAL . 2.0 tp -96.12 146.62 24.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 51.119999999999997 109.286 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.51 109.88 2.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 60.399999999999999 109.3 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 805' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 791' ' ' TYR . 3.2 mt-10 -39.63 145.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 74.439999999999998 110.26 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 81.41 17.66 70.74 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.515 1.134 . . . . 75.209999999999994 111.012 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -129.73 164.95 22.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.777 . . . . 45.0 109.329 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 808' ' ' ILE . . . . . 0.765 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -108.7 152.82 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 73.420000000000002 109.318 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 809' ' ' ILE . . . . . 0.872 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.3 mp -118.38 115.24 47.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 63.399999999999999 109.275 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 810' ' ' LYS . . . . . . . . . . . . . 25.4 tptt -75.1 112.92 11.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 72.0 109.343 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 811' ' ' ILE . . . . . . . . . . . . . 2.9 mm -71.99 119.21 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 52.030000000000001 109.282 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 812' ' ' LEU . . . . . 0.826 ' CB ' HH21 ' A' ' 822' ' ' ARG . 1.2 mt -111.95 -51.58 2.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 74.150000000000006 109.323 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 813' ' ' ASN . . . . . 0.47 ' CB ' ' HB3' ' A' ' 822' ' ' ARG . 2.5 t-20 -121.36 141.11 51.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 73.439999999999998 109.256 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 814' ' ' LYS . . . . . 0.523 ' HG3' ' CD1' ' A' ' 821' ' ' TRP . 0.0 OUTLIER -123.09 76.99 1.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 54.25 109.32 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 815' ' ' LYS . . . . . 0.487 ' HA ' ' CE ' ' A' ' 815' ' ' LYS . 0.0 OUTLIER -58.82 -75.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 72.140000000000001 109.297 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 816' ' ' GLY . . . . . 0.449 ' O ' ' NE1' ' A' ' 821' ' ' TRP . . . -118.76 154.19 16.61 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.503 1.127 . . . . 65.219999999999999 111.034 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -84.48 -17.68 38.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 0.744 . . . . 73.209999999999994 110.316 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -114.38 -14.77 12.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 73.519999999999996 110.271 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . -81.79 -104.36 0.39 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.458 1.099 . . . . 64.400000000000006 110.996 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 820' ' ' TRP . . . . . 0.711 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.42 172.32 12.86 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.027 -1.101 . . . . 73.129999999999995 108.027 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 821' ' ' TRP . . . . . 0.595 ' O ' ' CE1' ' A' ' 832' ' ' PHE . 17.8 m0 -132.35 136.34 46.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 73.430000000000007 107.983 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 822' ' ' ARG . . . . . 0.826 HH21 ' CB ' ' A' ' 812' ' ' LEU . 8.6 ttp180 -84.5 118.88 24.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 70.299999999999997 110.307 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -140.43 -159.4 7.93 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.571 1.17 . . . . 71.400000000000006 111.027 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 824' ' ' GLU . . . . . 0.932 ' HB2' HD13 ' A' ' 829' ' ' ILE . 20.7 tt0 -158.36 159.43 35.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.77 . . . . 71.530000000000001 110.319 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 825' ' ' ILE . . . . . 0.489 ' N ' ' CG ' ' A' ' 824' ' ' GLU . 2.3 mt -152.18 130.55 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 72.329999999999998 109.308 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 55.4 26.84 9.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 74.409999999999997 110.98 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 83.27 18.58 64.3 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.468 1.105 . . . . 74.5 110.99 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 828' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 824' ' ' GLU . 59.9 mtt180 -109.33 113.18 25.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 0.761 . . . . 65.310000000000002 110.304 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 829' ' ' ILE . . . . . 0.932 HD13 ' HB2' ' A' ' 824' ' ' GLU . 2.6 mm -87.38 158.53 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 73.439999999999998 109.315 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 164.79 -160.61 33.84 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.501 1.125 . . . . 74.010000000000005 110.964 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 831' ' ' TRP . . . . . 0.711 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 49.5 m95 -127.63 144.83 51.04 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.999 -1.111 . . . . 74.510000000000005 107.999 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 832' ' ' PHE . . . . . 0.872 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 38.1 p90 -144.0 148.47 42.12 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 74.140000000000001 111.015 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 833' ' ' PRO . . . . . 0.511 ' HG2' ' CD1' ' A' ' 836' ' ' TYR . 18.4 Cg_endo -75.0 147.66 34.21 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.532 1.806 . . . . 71.319999999999993 110.995 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 834' ' ' SER . . . . . 0.559 ' HB2' ' CZ3' ' A' ' 821' ' ' TRP . 79.1 p -82.83 3.82 27.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 71.140000000000001 110.007 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -95.38 -15.1 23.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 73.340000000000003 109.328 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 836' ' ' TYR . . . . . 0.511 ' CD1' ' HG2' ' A' ' 833' ' ' PRO . 7.9 m-85 -114.36 30.42 7.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 75.209999999999994 110.991 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 837' ' ' VAL . . . . . 0.72 HG21 ' HE2' ' A' ' 832' ' ' PHE . 26.8 m -155.2 161.45 2.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 74.219999999999999 109.309 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 838' ' ' GLU . . . . . 0.525 ' O ' ' HB1' ' A' ' 787' ' ' ALA . 12.6 mt-10 -100.83 179.37 4.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 71.530000000000001 110.319 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 839' ' ' GLU . . . . . 0.601 ' OE2' HG23 ' A' ' 837' ' ' VAL . 19.2 mp0 -154.79 129.89 9.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 72.25 110.303 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 33.5 t70 41.64 29.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 50.240000000000002 109.319 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 841' ' ' TYR . . . . . 0.434 ' N ' ' C ' ' A' ' 839' ' ' GLU . 8.2 p90 -49.86 -33.59 17.49 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.453 1.096 . . . . 71.430000000000007 110.961 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 842' ' ' SER . . . . . . . . . . . . . 4.6 p -153.79 119.35 5.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 74.239999999999995 109.988 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -93.08 150.21 20.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 73.219999999999999 110.278 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 844' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 66.64 51.0 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 74.319999999999993 110.995 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 845' ' ' LEU . . . . . . . . . . . . . 17.7 mt -49.4 161.03 0.5 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 74.200000000000003 109.291 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 846' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 141.05 26.13 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.491 1.785 . . . . 71.5 110.983 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -75.36 -16.65 60.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 71.120000000000005 110.264 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 848' ' ' THR . . . . . . . . . . . . . 23.9 m . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 74.219999999999999 110.375 179.994 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 N-CA-C 111.049 -0.82 . . . . 72.530000000000001 111.049 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 781' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -7.34 19.1 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.477 1.777 . . . . 74.129999999999995 111.003 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 782' ' ' GLY . . . . . . . . . . . . . . . -105.36 32.29 7.62 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.544 1.152 . . . . 53.450000000000003 111.026 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 783' ' ' THR . . . . . . . . . . . . . 23.3 m -38.99 130.31 1.51 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.441 0.73 . . . . 71.340000000000003 110.422 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 784' ' ' PHE . . . . . 0.552 ' CE2' ' HD2' ' A' ' 814' ' ' LYS . 20.3 m-85 -67.11 -65.54 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 74.040000000000006 110.959 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 785' ' ' GLY . . . . . 0.509 ' O ' HG23 ' A' ' 786' ' ' THR . . . 165.01 -102.2 0.19 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 70.430000000000007 111.011 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 786' ' ' THR . . . . . 0.509 HG23 ' O ' ' A' ' 785' ' ' GLY . 2.5 p -154.46 174.08 15.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 0.762 . . . . 71.010000000000005 110.373 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 787' ' ' ALA . . . . . 0.696 ' HB2' HD11 ' A' ' 811' ' ' ILE . . . -144.49 105.32 4.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 31.120000000000001 109.289 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 788' ' ' LYS . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 841' ' ' TYR . 12.4 tttt -69.36 117.01 10.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 64.120000000000005 109.337 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 789' ' ' ALA . . . . . 0.537 ' HB2' ' CD1' ' A' ' 809' ' ' ILE . . . -63.5 133.38 53.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 62.219999999999999 109.327 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 790' ' ' ARG . . . . . 0.548 ' C ' ' CD1' ' A' ' 791' ' ' TYR . 32.0 mmm-85 -107.04 -1.43 22.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 75.329999999999998 110.314 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 791' ' ' TYR . . . . . 0.548 ' CD1' ' C ' ' A' ' 790' ' ' ARG . 62.2 m-85 -159.53 128.46 5.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 72.129999999999995 110.993 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -61.97 116.17 4.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 54.530000000000001 109.269 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 793' ' ' PHE . . . . . 0.425 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.2 t80 -107.84 114.08 27.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 72.420000000000002 110.975 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 41.4 t -81.38 108.68 15.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 70.230000000000004 108.296 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -69.94 104.13 2.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 44.109999999999999 109.296 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 11.1 ptt180 -56.51 -19.91 17.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 74.549999999999997 110.264 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -163.41 171.94 15.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 63.229999999999997 109.241 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -15.97 16.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 73.420000000000002 110.312 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 1.7 p -70.38 -7.58 44.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 73.510000000000005 110.024 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -125.49 150.02 47.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 73.450000000000003 110.312 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 801' ' ' LEU . . . . . 0.626 HD23 ' H ' ' A' ' 802' ' ' SER . 0.9 OUTLIER -88.52 138.06 31.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 61.030000000000001 109.331 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 802' ' ' SER . . . . . 0.626 ' H ' HD23 ' A' ' 801' ' ' LEU . 3.7 p -81.46 101.35 9.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 72.120000000000005 109.997 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 803' ' ' LEU . . . . . 0.597 HD11 HG12 ' A' ' 809' ' ' ILE . 0.5 OUTLIER -92.92 157.17 16.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 64.120000000000005 109.328 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 804' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 805' ' ' GLU . 7.7 tmtm? -156.63 111.24 2.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.472 1.108 . . . . 72.310000000000002 109.356 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 805' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 804' ' ' LYS . 7.6 mt-10 -38.86 133.42 1.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 74.310000000000002 110.292 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 90.43 -3.14 81.69 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.493 1.121 . . . . 42.119999999999997 110.964 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -104.45 159.74 15.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.777 . . . . 64.299999999999997 109.309 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 808' ' ' ILE . . . . . 0.723 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -110.64 139.99 31.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 64.400000000000006 109.32 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 809' ' ' ILE . . . . . 0.846 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.5 mp -105.61 113.83 43.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 62.539999999999999 109.263 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 810' ' ' LYS . . . . . 0.47 ' HG3' HD21 ' A' ' 812' ' ' LEU . 15.8 tptp -68.36 114.38 6.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 60.119999999999997 109.34 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 811' ' ' ILE . . . . . 0.696 HD11 ' HB2' ' A' ' 787' ' ' ALA . 3.5 mm -75.94 137.97 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 53.039999999999999 109.278 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 812' ' ' LEU . . . . . 0.47 HD21 ' HG3' ' A' ' 810' ' ' LYS . 2.1 mt -128.68 -48.0 1.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 61.009999999999998 109.295 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -134.36 141.1 46.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 52.030000000000001 109.32 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 814' ' ' LYS . . . . . 0.552 ' HD2' ' CE2' ' A' ' 784' ' ' PHE . 38.2 mttt -122.34 89.18 3.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 62.530000000000001 109.303 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt -40.82 -31.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 71.510000000000005 109.314 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 816' ' ' GLY . . . . . 0.404 ' N ' ' C ' ' A' ' 814' ' ' LYS . . . 164.87 -160.59 33.85 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.516 1.135 . . . . 54.420000000000002 110.948 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -99.82 6.35 45.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 0.774 . . . . 63.43 110.268 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 42.3 mm-40 -144.6 109.53 5.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 72.329999999999998 110.292 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . 142.96 -109.61 0.57 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.471 1.107 . . . . 63.140000000000001 110.979 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 820' ' ' TRP . . . . . 0.729 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.35 172.69 12.35 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.999 -1.111 . . . . 74.439999999999998 107.999 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 821' ' ' TRP . . . . . 0.557 ' CE3' ' HB2' ' A' ' 834' ' ' SER . 20.9 m0 -126.34 138.19 53.55 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.986 -1.116 . . . . 71.209999999999994 107.986 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 822' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -95.77 105.43 17.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 75.340000000000003 110.263 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -126.31 -154.53 8.67 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 73.219999999999999 110.96 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 824' ' ' GLU . . . . . 0.876 ' HB2' HD13 ' A' ' 829' ' ' ILE . 19.9 tt0 -164.14 159.1 19.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 0.75 . . . . 74.140000000000001 110.32 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 825' ' ' ILE . . . . . 0.519 HD11 ' O ' ' A' ' 808' ' ' ILE . 3.2 mt -151.19 129.87 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 74.540000000000006 109.298 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 9.0 m-30 57.85 21.86 8.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 73.519999999999996 110.973 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 88.13 15.69 60.42 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.467 1.104 . . . . 73.299999999999997 111.019 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 828' ' ' ARG . . . . . 0.413 ' O ' ' HA ' ' A' ' 824' ' ' GLU . 34.2 mtt85 -107.28 115.35 30.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.756 . . . . 71.439999999999998 110.269 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 829' ' ' ILE . . . . . 0.876 HD13 ' HB2' ' A' ' 824' ' ' GLU . 2.7 mm -87.34 156.2 3.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 64.310000000000002 109.294 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 174.0 -169.89 42.96 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 61.049999999999997 110.967 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 831' ' ' TRP . . . . . 0.729 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 60.7 m95 -127.2 145.78 50.64 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.018 -1.104 . . . . 75.150000000000006 108.018 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 832' ' ' PHE . . . . . 0.846 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 31.0 p90 -150.44 151.18 30.58 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 74.430000000000007 110.993 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 147.59 33.92 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.506 1.793 . . . . 74.120000000000005 110.972 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 834' ' ' SER . . . . . 0.637 ' HA ' HG22 ' A' ' 837' ' ' VAL . 3.1 t -84.23 3.89 33.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 42.210000000000001 110.028 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -95.57 -12.46 25.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 72.109999999999999 109.319 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -110.24 -5.25 15.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 73.140000000000001 110.988 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 837' ' ' VAL . . . . . 0.817 HG21 ' HE2' ' A' ' 832' ' ' PHE . 21.0 m -121.88 179.3 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 72.420000000000002 109.291 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 838' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 788' ' ' LYS . 78.1 mt-10 -151.45 126.12 9.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 74.25 110.34 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 839' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 840' ' ' ASP . 0.0 OUTLIER -117.37 175.23 5.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 63.119999999999997 110.278 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 840' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 839' ' ' GLU . 46.7 t0 40.48 36.21 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 54.520000000000003 109.307 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 841' ' ' TYR . . . . . 0.519 ' CZ ' ' HB2' ' A' ' 788' ' ' LYS . 38.9 p90 -89.56 143.71 26.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 73.530000000000001 111.004 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 842' ' ' SER . . . . . . . . . . . . . 43.3 p -60.76 128.32 35.96 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.142 . . . . 72.400000000000006 109.965 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -91.18 167.55 12.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.403 1.064 . . . . 74.329999999999998 110.279 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 844' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -133.29 58.63 1.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 74.310000000000002 110.977 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 845' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 845' ' ' LEU . 21.1 mt -63.53 157.0 68.3 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 63.539999999999999 109.321 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 846' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 160.73 39.77 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.46 1.768 . . . . 70.340000000000003 111.027 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -81.56 148.27 29.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 71.140000000000001 110.304 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 848' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 72.219999999999999 110.399 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 N-CA-C 111.001 -0.84 . . . . 62.329999999999998 111.001 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 781' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -85.75 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.527 1.804 . . . . 64.209999999999994 110.975 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 782' ' ' GLY . . . . . . . . . . . . . . . -145.66 -129.21 2.07 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.135 . . . . 62.530000000000001 110.984 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 783' ' ' THR . . . . . . . . . . . . . 1.2 m -156.06 151.05 26.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 0.796 . . . . 74.439999999999998 110.378 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 784' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -124.0 -64.75 1.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.588 1.18 . . . . 72.120000000000005 110.974 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 785' ' ' GLY . . . . . 0.623 ' O ' HG23 ' A' ' 786' ' ' THR . . . -175.21 -108.7 0.23 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.484 1.115 . . . . 53.420000000000002 110.983 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 786' ' ' THR . . . . . 0.623 HG23 ' O ' ' A' ' 785' ' ' GLY . 3.2 p -158.12 169.88 23.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 0.777 . . . . 54.149999999999999 110.411 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 787' ' ' ALA . . . . . 0.527 ' HB1' ' O ' ' A' ' 838' ' ' GLU . . . -142.19 122.81 14.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 64.430000000000007 109.288 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 788' ' ' LYS . . . . . . . . . . . . . 13.8 mtpt -70.81 165.8 22.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 75.019999999999996 109.332 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -106.2 116.88 32.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 63.229999999999997 109.322 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 790' ' ' ARG . . . . . 0.549 ' HB2' ' CE1' ' A' ' 791' ' ' TYR . 13.3 mmt180 -97.07 0.73 49.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 71.120000000000005 110.288 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 791' ' ' TYR . . . . . 0.549 ' CE1' ' HB2' ' A' ' 790' ' ' ARG . 27.4 m-85 -152.0 139.44 19.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 71.450000000000003 111.011 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -79.38 112.64 16.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 71.319999999999993 109.279 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 793' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -110.41 113.87 26.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 64.219999999999999 110.964 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 2.9 t -95.85 95.78 8.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 71.109999999999999 108.283 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 795' ' ' ALA . . . . . 0.47 ' HB1' ' HB3' ' A' ' 800' ' ' GLU . . . -43.21 133.58 3.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 73.549999999999997 109.327 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.4 -15.2 21.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.579 1.175 . . . . 72.120000000000005 110.306 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -141.89 174.5 10.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 71.239999999999995 109.297 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -81.63 3.48 25.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 71.530000000000001 110.32 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 97.3 p -102.71 8.52 39.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 61.240000000000002 110.004 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 800' ' ' GLU . . . . . 0.47 ' HB3' ' HB1' ' A' ' 795' ' ' ALA . 2.6 tp10 -121.1 148.64 43.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 63.520000000000003 110.296 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 801' ' ' LEU . . . . . 0.641 HD23 ' H ' ' A' ' 802' ' ' SER . 0.9 OUTLIER -85.68 137.86 32.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 73.409999999999997 109.245 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 802' ' ' SER . . . . . 0.641 ' H ' HD23 ' A' ' 801' ' ' LEU . 0.2 OUTLIER -77.68 97.85 5.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 73.129999999999995 110.003 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 803' ' ' LEU . . . . . 0.75 HD21 ' CG1' ' A' ' 837' ' ' VAL . 1.0 OUTLIER -93.12 153.41 18.68 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.464 1.102 . . . . 73.430000000000007 109.289 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 8.4 mtmm -163.4 120.78 1.86 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 72.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -44.83 147.74 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 75.030000000000001 110.338 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 75.93 21.39 76.44 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.451 1.094 . . . . 32.329999999999998 111.033 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -128.94 163.06 26.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.745 . . . . 75.239999999999995 109.279 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 808' ' ' ILE . . . . . 0.765 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -110.31 152.62 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 65.230000000000004 109.293 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 809' ' ' ILE . . . . . 0.849 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.2 mp -123.72 116.9 49.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 74.430000000000007 109.318 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 810' ' ' LYS . . . . . 0.415 ' HD2' ' N ' ' A' ' 811' ' ' ILE . 5.9 tptm -75.79 115.9 15.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 73.219999999999999 109.322 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 811' ' ' ILE . . . . . 0.415 ' N ' ' HD2' ' A' ' 810' ' ' LYS . 2.8 mm -74.6 116.12 16.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 65.209999999999994 109.318 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 812' ' ' LEU . . . . . 0.414 ' CD2' ' HG3' ' A' ' 810' ' ' LYS . 0.9 OUTLIER -107.66 -49.89 3.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 74.209999999999994 109.296 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 813' ' ' ASN . . . . . 0.417 ' CB ' ' HB3' ' A' ' 822' ' ' ARG . 2.0 t-20 -128.5 136.58 50.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 62.119999999999997 109.299 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 814' ' ' LYS . . . . . 0.41 ' HG3' ' NE1' ' A' ' 821' ' ' TRP . 14.4 ttpp -115.76 82.49 1.77 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 74.019999999999996 109.291 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -69.48 99.18 1.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 73.200000000000003 109.294 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 816' ' ' GLY . . . . . . . . . . . . . . . 55.9 176.19 0.22 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.481 1.113 . . . . 64.450000000000003 111.01 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -90.81 -23.75 20.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 0.742 . . . . 72.340000000000003 110.313 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -117.0 100.8 7.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 73.409999999999997 110.295 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . 165.35 -111.39 0.46 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.504 1.128 . . . . 33.119999999999997 110.977 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 820' ' ' TRP . . . . . 0.743 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.4 OUTLIER -142.35 172.16 13.06 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.022 -1.103 . . . . 73.25 108.022 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 821' ' ' TRP . . . . . 0.555 ' CH2' ' HB2' ' A' ' 834' ' ' SER . 45.4 m0 -127.53 136.49 51.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 75.329999999999998 108.019 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 822' ' ' ARG . . . . . 0.417 ' HB3' ' CB ' ' A' ' 813' ' ' ASN . 5.9 tmm_? -87.92 102.37 14.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 72.340000000000003 110.297 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -121.99 -158.1 10.21 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.498 1.124 . . . . 44.210000000000001 110.99 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 824' ' ' GLU . . . . . 0.879 ' HB2' HD13 ' A' ' 829' ' ' ILE . 0.5 OUTLIER -165.66 149.61 8.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 0.787 . . . . 51.329999999999998 110.314 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 825' ' ' ILE . . . . . 0.573 HG22 ' CD2' ' A' ' 826' ' ' TYR . 2.7 mt -139.08 127.67 28.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 72.450000000000003 109.267 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 826' ' ' TYR . . . . . 0.573 ' CD2' HG22 ' A' ' 825' ' ' ILE . 3.8 m-30 61.39 16.73 7.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 74.319999999999993 111.011 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 98.5 -8.76 62.31 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.515 1.134 . . . . 73.019999999999996 111.0 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.21 118.24 23.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 0.738 . . . . 74.530000000000001 110.259 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 829' ' ' ILE . . . . . 0.879 HD13 ' HB2' ' A' ' 824' ' ' GLU . 2.5 mm -88.46 158.4 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 74.409999999999997 109.295 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 172.83 -165.37 37.71 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.49 1.119 . . . . 50.130000000000003 110.962 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 831' ' ' TRP . . . . . 0.743 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 63.3 m95 -127.77 150.36 49.84 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.995 -1.113 . . . . 73.239999999999995 107.995 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 832' ' ' PHE . . . . . 0.849 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 46.7 p90 -155.67 153.22 25.83 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 74.200000000000003 110.98 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 833' ' ' PRO . . . . . 0.493 ' HG2' ' CG ' ' A' ' 836' ' ' TYR . 18.4 Cg_endo -74.98 146.61 32.92 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.498 1.789 . . . . 72.439999999999998 111.028 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 834' ' ' SER . . . . . 0.555 ' HB2' ' CH2' ' A' ' 821' ' ' TRP . 6.9 p -82.4 3.31 28.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 74.219999999999999 110.064 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -103.98 0.37 29.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 71.030000000000001 109.333 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 836' ' ' TYR . . . . . 0.493 ' CG ' ' HG2' ' A' ' 833' ' ' PRO . 10.4 m-85 -117.21 17.99 14.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 75.209999999999994 111.044 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 837' ' ' VAL . . . . . 0.75 ' CG1' HD21 ' A' ' 803' ' ' LEU . 24.8 m -151.14 157.3 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 74.219999999999999 109.308 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 838' ' ' GLU . . . . . 0.527 ' O ' ' HB1' ' A' ' 787' ' ' ALA . 12.1 mt-10 -87.04 179.85 6.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 70.340000000000003 110.33 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 31.9 mp0 -154.96 129.96 9.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 75.230000000000004 110.284 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 30.7 t70 43.63 31.31 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 74.340000000000003 109.315 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 841' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -59.18 -174.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 74.329999999999998 111.036 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 842' ' ' SER . . . . . . . . . . . . . 4.3 p -109.53 169.92 8.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 63.5 109.992 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -95.3 130.12 42.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 74.140000000000001 110.287 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 844' ' ' TYR . . . . . 0.587 ' O ' ' CD1' ' A' ' 844' ' ' TYR . 1.3 t80 -125.87 34.55 4.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 61.340000000000003 110.996 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 845' ' ' LEU . . . . . . . . . . . . . 17.1 mt -48.94 155.21 1.11 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 74.340000000000003 109.314 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 846' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -163.99 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.462 1.769 . . . . 74.540000000000006 110.963 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -87.1 114.78 24.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 73.239999999999995 110.299 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 848' ' ' THR . . . . . . . . . . . . . 37.6 p . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 73.209999999999994 110.405 179.999 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.03 -0.828 . . . . 72.010000000000005 111.03 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 781' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -163.71 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.498 1.788 . . . . 73.319999999999993 110.975 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 782' ' ' GLY . . . . . . . . . . . . . . . 127.56 -156.48 20.53 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.506 1.129 . . . . 73.430000000000007 111.006 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 783' ' ' THR . . . . . . . . . . . . . 17.2 m -92.57 -60.68 1.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 61.439999999999998 110.417 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 784' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -81.22 -174.37 4.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 73.439999999999998 111.017 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . -126.99 -120.41 2.35 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.527 1.142 . . . . 71.420000000000002 110.976 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 2.4 p -150.66 172.25 15.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 0.784 . . . . 63.329999999999998 110.372 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -143.55 117.7 9.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 54.399999999999999 109.312 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 788' ' ' LYS . . . . . 0.556 ' HB2' ' CE2' ' A' ' 841' ' ' TYR . 10.2 tttt -76.7 121.39 23.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 70.129999999999995 109.304 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 789' ' ' ALA . . . . . 0.524 ' HB2' ' CD1' ' A' ' 809' ' ' ILE . . . -64.81 134.45 54.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 75.409999999999997 109.297 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 790' ' ' ARG . . . . . 0.481 ' C ' ' CD1' ' A' ' 791' ' ' TYR . 10.3 mmt85 -115.97 0.27 13.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 62.310000000000002 110.359 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 791' ' ' TYR . . . . . 0.494 ' CD1' ' HA ' ' A' ' 836' ' ' TYR . 25.9 m-85 -144.15 137.8 27.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 75.319999999999993 111.019 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -75.38 119.56 19.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 75.310000000000002 109.309 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 793' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -128.76 113.9 15.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 63.240000000000002 110.99 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 21.4 t -85.39 139.11 31.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 74.120000000000005 108.318 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -93.18 98.58 11.38 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 64.010000000000005 109.3 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 16.9 mmt-85 -51.27 -24.92 4.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 73.25 110.285 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -151.21 178.57 9.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 75.329999999999998 109.318 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 44.2 mtp180 -73.02 -4.01 29.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 74.099999999999994 110.334 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 10.9 p -79.69 -20.64 46.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 71.120000000000005 110.012 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -105.12 149.97 25.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 64.329999999999998 110.288 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 801' ' ' LEU . . . . . 0.67 HD23 ' N ' ' A' ' 802' ' ' SER . 1.0 OUTLIER -84.42 132.63 34.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 63.520000000000003 109.284 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 802' ' ' SER . . . . . 0.67 ' N ' HD23 ' A' ' 801' ' ' LEU . 0.1 OUTLIER -71.67 100.8 2.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 71.150000000000006 110.012 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 803' ' ' LEU . . . . . 0.507 HD21 ' CG1' ' A' ' 837' ' ' VAL . 2.3 tp -97.48 146.51 25.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 55.439999999999998 109.298 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.89 111.7 2.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 73.409999999999997 109.279 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 805' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 791' ' ' TYR . 3.0 mt-10 -39.7 146.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 63.219999999999999 110.277 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 77.4 19.57 76.26 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.53 1.144 . . . . 41.100000000000001 111.031 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -126.74 163.82 22.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 0.739 . . . . 64.400000000000006 109.297 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 808' ' ' ILE . . . . . 0.765 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -108.65 148.01 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 71.230000000000004 109.293 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 809' ' ' ILE . . . . . 0.858 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.2 mp -118.83 116.29 50.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 71.25 109.261 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 810' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -75.27 113.69 12.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 63.229999999999997 109.246 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 811' ' ' ILE . . . . . . . . . . . . . 2.9 mm -72.77 113.91 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 71.310000000000002 109.264 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 812' ' ' LEU . . . . . 0.497 HD12 ' HA2' ' A' ' 823' ' ' GLY . 0.8 OUTLIER -105.07 -48.68 3.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 73.439999999999998 109.299 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -130.94 140.28 50.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 73.25 109.276 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 814' ' ' LYS . . . . . . . . . . . . . 15.9 ttpp -119.65 82.87 1.95 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.531 1.145 . . . . 72.219999999999999 109.241 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -64.43 92.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 72.120000000000005 109.277 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 816' ' ' GLY . . . . . . . . . . . . . . . 61.74 172.43 1.23 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 73.140000000000001 110.978 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -75.28 -22.35 57.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 54.43 110.29 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 7.5 pm0 -123.02 146.57 47.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 70.530000000000001 110.287 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . 126.14 -109.07 1.09 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.546 1.154 . . . . 61.509999999999998 110.969 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 820' ' ' TRP . . . . . 0.737 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.4 OUTLIER -142.35 172.54 12.55 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.015 -1.105 . . . . 75.420000000000002 108.015 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 821' ' ' TRP . . . . . 0.56 ' O ' ' CD1' ' A' ' 832' ' ' PHE . 40.0 m0 -128.89 136.39 50.36 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.978 -1.119 . . . . 74.409999999999997 107.978 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 822' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -86.78 109.24 19.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 75.129999999999995 110.294 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 823' ' ' GLY . . . . . 0.497 ' HA2' HD12 ' A' ' 812' ' ' LEU . . . -137.77 -175.66 14.01 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.449 1.093 . . . . 44.439999999999998 111.031 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 824' ' ' GLU . . . . . 0.832 ' HB3' HD13 ' A' ' 829' ' ' ILE . 0.8 OUTLIER -141.24 167.46 22.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 0.744 . . . . 73.530000000000001 110.306 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 825' ' ' ILE . . . . . 0.465 HD11 ' CD1' ' A' ' 809' ' ' ILE . 1.9 mt -156.91 122.12 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 74.430000000000007 109.337 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 826' ' ' TYR . . . . . 0.471 ' CD1' ' N ' ' A' ' 826' ' ' TYR . 5.4 m-30 58.44 23.92 11.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 70.400000000000006 111.02 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 90.44 10.23 63.96 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.509 1.131 . . . . 55.43 110.976 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 828' ' ' ARG . . . . . 0.404 ' O ' ' HA ' ' A' ' 824' ' ' GLU . 80.7 mtt-85 -99.74 111.45 23.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 0.765 . . . . 71.420000000000002 110.313 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 829' ' ' ILE . . . . . 0.832 HD13 ' HB3' ' A' ' 824' ' ' GLU . 4.8 mm -90.49 155.14 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 71.329999999999998 109.299 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 168.66 -160.26 33.69 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.495 1.122 . . . . 70.030000000000001 111.003 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 831' ' ' TRP . . . . . 0.737 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 61.7 m95 -128.19 147.7 50.58 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.987 -1.116 . . . . 72.25 107.987 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 832' ' ' PHE . . . . . 0.858 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 32.0 p90 -150.18 151.02 30.9 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 74.239999999999995 111.011 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 148.32 35.41 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.514 1.797 . . . . 61.350000000000001 111.01 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 834' ' ' SER . . . . . 0.551 ' HB2' ' CH2' ' A' ' 821' ' ' TRP . 15.1 p -84.19 3.94 32.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 75.329999999999998 110.019 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -96.4 -11.82 25.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 70.400000000000006 109.253 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 836' ' ' TYR . . . . . 0.494 ' HA ' ' CD1' ' A' ' 791' ' ' TYR . 5.9 m-85 -113.7 27.55 9.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 73.510000000000005 110.993 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 837' ' ' VAL . . . . . 0.808 HG21 ' HE2' ' A' ' 832' ' ' PHE . 25.3 m -154.39 163.25 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 75.200000000000003 109.272 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 838' ' ' GLU . . . . . 0.42 ' HG2' ' CG ' ' A' ' 790' ' ' ARG . 59.6 mm-40 -135.23 123.99 23.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 74.450000000000003 110.345 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -113.25 155.19 25.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 64.140000000000001 110.293 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 46.8 t0 57.13 51.37 10.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 70.019999999999996 109.322 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 841' ' ' TYR . . . . . 0.556 ' CE2' ' HB2' ' A' ' 788' ' ' LYS . 28.8 p90 -104.17 139.24 39.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 64.209999999999994 110.959 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 842' ' ' SER . . . . . . . . . . . . . 51.9 p -56.85 -175.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 71.030000000000001 110.005 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -131.22 153.49 49.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 74.219999999999999 110.327 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 844' ' ' TYR . . . . . 0.401 ' O ' ' O ' ' A' ' 845' ' ' LEU . 0.4 OUTLIER 66.79 35.94 4.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 55.100000000000001 111.018 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 845' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 844' ' ' TYR . 0.7 OUTLIER -42.3 162.87 0.15 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 75.310000000000002 109.304 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 846' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 170.0 21.37 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.515 1.798 . . . . 72.239999999999995 111.039 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 34.6 mp0 -150.65 162.82 39.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 73.040000000000006 110.302 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 848' ' ' THR . . . . . . . . . . . . . 4.7 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 72.200000000000003 110.401 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.064 -0.814 . . . . 60.329999999999998 111.064 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 781' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 149.9 37.17 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.505 1.792 . . . . 71.329999999999998 110.996 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 782' ' ' GLY . . . . . . . . . . . . . . . -102.31 -122.75 5.12 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.522 1.139 . . . . 60.5 110.994 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 783' ' ' THR . . . . . . . . . . . . . 55.3 m -92.8 -38.94 11.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 0.738 . . . . 74.219999999999999 110.389 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 784' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -65.22 -175.3 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 74.519999999999996 111.028 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 785' ' ' GLY . . . . . 0.457 ' O ' HG23 ' A' ' 786' ' ' THR . . . -154.38 -102.64 0.21 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.514 1.134 . . . . 65.019999999999996 110.998 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 786' ' ' THR . . . . . 0.457 HG23 ' O ' ' A' ' 785' ' ' GLY . 3.2 p -153.24 170.49 20.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 0.741 . . . . 74.099999999999994 110.382 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 787' ' ' ALA . . . . . 0.715 ' CB ' HD11 ' A' ' 811' ' ' ILE . . . -144.96 107.48 4.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 71.209999999999994 109.282 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 788' ' ' LYS . . . . . 0.504 ' HB2' ' CZ ' ' A' ' 841' ' ' TYR . 36.7 tttt -66.71 130.92 44.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 73.150000000000006 109.299 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 789' ' ' ALA . . . . . 0.461 ' HB2' ' CD1' ' A' ' 809' ' ' ILE . . . -77.47 133.72 38.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 71.099999999999994 109.325 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 790' ' ' ARG . . . . . 0.495 ' C ' ' CG ' ' A' ' 791' ' ' TYR . 17.9 mmm180 -104.23 -0.12 28.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 74.150000000000006 110.281 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 791' ' ' TYR . . . . . 0.495 ' CG ' ' C ' ' A' ' 790' ' ' ARG . 32.2 m-85 -159.35 128.93 5.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 72.230000000000004 111.003 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -65.77 108.99 2.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 75.219999999999999 109.316 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 793' ' ' PHE . . . . . 0.452 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.2 t80 -98.54 123.03 42.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 75.120000000000005 111.009 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 58.5 m -87.65 124.27 33.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 62.219999999999999 108.27 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -88.19 125.49 34.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 75.439999999999998 109.293 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -98.32 -24.81 15.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 74.040000000000006 110.331 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -139.3 172.63 12.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 75.040000000000006 109.326 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -68.57 -8.54 42.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 73.219999999999999 110.259 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 60.5 p -88.89 16.35 7.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 73.510000000000005 109.98 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 800' ' ' GLU . . . . . 0.422 ' CD ' ' CE2' ' A' ' 793' ' ' PHE . 11.4 tt0 -139.79 145.88 38.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 75.420000000000002 110.293 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 801' ' ' LEU . . . . . 0.619 HD23 ' H ' ' A' ' 802' ' ' SER . 0.9 OUTLIER -101.77 136.61 41.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 73.310000000000002 109.312 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 802' ' ' SER . . . . . 0.619 ' H ' HD23 ' A' ' 801' ' ' LEU . 4.1 m -76.58 100.97 5.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 50.310000000000002 109.97 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 803' ' ' LEU . . . . . 0.493 HD11 HG12 ' A' ' 809' ' ' ILE . 0.6 OUTLIER -94.21 157.11 16.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 65.439999999999998 109.262 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 804' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 805' ' ' GLU . 0.4 OUTLIER -156.28 111.41 2.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 72.209999999999994 109.283 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 805' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 804' ' ' LYS . 5.0 mt-10 -38.91 135.0 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 54.229999999999997 110.31 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 91.47 -8.06 79.36 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.528 1.142 . . . . 72.120000000000005 110.977 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -99.8 159.28 15.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 0.789 . . . . 61.32 109.285 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 808' ' ' ILE . . . . . 0.767 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -110.36 138.03 40.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 70.340000000000003 109.287 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 809' ' ' ILE . . . . . 0.89 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.3 mp -107.17 114.87 47.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 63.409999999999997 109.29 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 810' ' ' LYS . . . . . 0.447 ' HG3' ' CD2' ' A' ' 812' ' ' LEU . 5.1 tptm -68.18 113.63 5.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 64.329999999999998 109.288 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 811' ' ' ILE . . . . . 0.715 HD11 ' CB ' ' A' ' 787' ' ' ALA . 4.3 mm -76.76 110.02 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 42.130000000000003 109.289 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 812' ' ' LEU . . . . . 0.447 ' CD2' ' HG3' ' A' ' 810' ' ' LYS . 1.3 mt -100.16 -38.08 8.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 62.030000000000001 109.288 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -141.89 140.13 32.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 41.210000000000001 109.311 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 814' ' ' LYS . . . . . 0.417 ' C ' ' N ' ' A' ' 816' ' ' GLY . 11.6 ttpp -125.18 79.88 1.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 71.439999999999998 109.29 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 9.6 mtpp -43.06 -29.08 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 75.299999999999997 109.28 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 816' ' ' GLY . . . . . 0.417 ' N ' ' C ' ' A' ' 814' ' ' LYS . . . 150.05 159.22 8.58 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.48 1.113 . . . . 64.340000000000003 111.003 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -61.21 -14.9 29.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 0.789 . . . . 70.420000000000002 110.281 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -111.11 89.59 3.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 75.430000000000007 110.307 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . 149.49 -117.18 0.84 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.519 1.137 . . . . 53.210000000000001 110.966 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 820' ' ' TRP . . . . . 0.494 ' CE3' ' HB3' ' A' ' 831' ' ' TRP . 0.3 OUTLIER -142.34 171.44 14.05 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.974 -1.121 . . . . 73.329999999999998 107.974 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 821' ' ' TRP . . . . . 0.55 ' CH2' ' HB2' ' A' ' 834' ' ' SER . 50.3 m0 -124.49 143.25 50.76 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.955 -1.128 . . . . 75.140000000000001 107.955 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 822' ' ' ARG . . . . . 0.508 ' HG3' ' CE2' ' A' ' 831' ' ' TRP . 1.9 ttt180 -95.76 102.57 14.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 74.239999999999995 110.329 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -126.18 -165.87 12.11 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 74.319999999999993 111.009 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 824' ' ' GLU . . . . . 0.878 ' HB2' HD13 ' A' ' 829' ' ' ILE . 18.6 tt0 -156.65 158.8 37.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 0.738 . . . . 73.329999999999998 110.329 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 825' ' ' ILE . . . . . 0.49 ' N ' ' CG ' ' A' ' 824' ' ' GLU . 3.1 mt -148.22 128.18 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 75.120000000000005 109.314 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 56.96 23.1 7.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 65.209999999999994 110.974 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 88.54 14.71 61.19 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.494 1.121 . . . . 54.409999999999997 110.989 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 828' ' ' ARG . . . . . 0.48 ' CD ' ' O ' ' A' ' 825' ' ' ILE . 2.8 mpt_? -105.45 114.14 28.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.583 0.814 . . . . 74.200000000000003 110.303 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 829' ' ' ILE . . . . . 0.878 HD13 ' HB2' ' A' ' 824' ' ' GLU . 2.5 mm -87.39 153.44 3.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 72.319999999999993 109.296 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 176.43 -178.36 47.78 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.529 1.143 . . . . 51.43 111.006 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 831' ' ' TRP . . . . . 0.508 ' CE2' ' HG3' ' A' ' 822' ' ' ARG . 81.7 m95 -118.72 144.2 46.39 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.997 -1.112 . . . . 72.239999999999995 107.997 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 832' ' ' PHE . . . . . 0.89 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 35.3 p90 -151.73 151.76 29.03 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 75.219999999999999 111.034 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 148.11 34.62 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.474 1.776 . . . . 65.530000000000001 110.944 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 834' ' ' SER . . . . . 0.55 ' HB2' ' CH2' ' A' ' 821' ' ' TRP . 52.0 p -83.79 3.92 31.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 75.230000000000004 109.98 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -96.33 -10.03 28.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 70.310000000000002 109.263 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -109.88 -1.68 17.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 53.299999999999997 111.0 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 837' ' ' VAL . . . . . 0.815 HG21 ' HE2' ' A' ' 832' ' ' PHE . 33.0 m -126.38 173.69 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 62.409999999999997 109.314 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 838' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 788' ' ' LYS . 61.0 mm-40 -144.4 123.64 12.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 71.040000000000006 110.284 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.13 168.38 9.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 72.400000000000006 110.342 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 23.4 t0 40.42 46.48 2.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 73.019999999999996 109.319 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 841' ' ' TYR . . . . . 0.504 ' CZ ' ' HB2' ' A' ' 788' ' ' LYS . 37.0 p90 -97.9 -33.64 11.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 74.400000000000006 111.035 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 842' ' ' SER . . . . . 0.493 ' OG ' ' CE1' ' A' ' 841' ' ' TYR . 87.6 p -156.79 153.05 27.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 42.409999999999997 110.04 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -167.56 148.01 5.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 71.0 110.303 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 844' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 59.45 53.72 5.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 73.010000000000005 111.035 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 845' ' ' LEU . . . . . 0.445 HD13 ' HA ' ' A' ' 845' ' ' LEU . 4.2 mm? -60.78 155.64 50.76 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 61.25 109.269 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 846' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 141.62 27.15 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.49 1.784 . . . . 72.420000000000002 111.018 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -41.99 154.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 75.219999999999999 110.351 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 848' ' ' THR . . . . . . . . . . . . . 3.1 p . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 53.530000000000001 110.383 179.988 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.019 -0.832 . . . . 73.239999999999995 111.019 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 781' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 70.71 5.22 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 55.399999999999999 110.99 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 782' ' ' GLY . . . . . . . . . . . . . . . 147.66 -166.51 28.74 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.489 1.118 . . . . 71.120000000000005 110.996 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 783' ' ' THR . . . . . . . . . . . . . 3.9 m -116.6 52.17 0.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 72.420000000000002 110.372 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 784' ' ' PHE . . . . . 0.509 ' CE1' ' HG3' ' A' ' 814' ' ' LYS . 7.0 m-85 -68.8 160.63 30.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 74.019999999999996 110.999 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . -115.15 -122.44 3.57 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 70.409999999999997 111.021 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 3.6 p -141.6 -178.24 5.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 0.782 . . . . 64.120000000000005 110.446 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 787' ' ' ALA . . . . . 0.59 ' HB2' HD11 ' A' ' 811' ' ' ILE . . . -148.39 110.62 4.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 71.400000000000006 109.308 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 788' ' ' LYS . . . . . 0.57 ' HB2' ' CE2' ' A' ' 841' ' ' TYR . 10.2 tttt -79.91 120.41 24.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 62.140000000000001 109.298 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 789' ' ' ALA . . . . . 0.686 ' HA ' HG12 ' A' ' 837' ' ' VAL . . . -64.87 135.33 55.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 50.310000000000002 109.294 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 790' ' ' ARG . . . . . 0.423 ' CG ' ' CD ' ' A' ' 838' ' ' GLU . 4.2 mmm180 -107.84 -6.66 16.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 74.409999999999997 110.265 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 791' ' ' TYR . . . . . 0.448 ' CA ' ' HG3' ' A' ' 805' ' ' GLU . 76.9 m-85 -141.71 135.54 29.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 75.109999999999999 111.005 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -68.2 98.41 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 71.430000000000007 109.279 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 793' ' ' PHE . . . . . 0.45 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.1 t80 -83.75 178.09 8.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 72.439999999999998 111.013 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 3.8 t -152.27 111.13 3.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 53.229999999999997 108.343 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -80.4 139.32 36.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 73.239999999999995 109.26 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 796' ' ' ARG . . . . . 0.465 ' CZ ' ' HB2' ' A' ' 797' ' ' ASP . 0.0 OUTLIER -117.15 -7.6 11.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 70.530000000000001 110.309 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 797' ' ' ASP . . . . . 0.465 ' HB2' ' CZ ' ' A' ' 796' ' ' ARG . 25.4 t70 -154.22 163.81 39.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 62.200000000000003 109.286 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 36.3 ptt-85 -64.96 -18.53 65.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 75.239999999999995 110.268 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 52.1 p -73.94 -8.42 56.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 72.420000000000002 110.007 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -118.16 151.66 37.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 74.200000000000003 110.317 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 801' ' ' LEU . . . . . 0.637 HD11 ' N ' ' A' ' 824' ' ' GLU . 0.8 OUTLIER -101.1 138.47 38.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 73.049999999999997 109.313 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 802' ' ' SER . . . . . 0.635 ' H ' HD23 ' A' ' 801' ' ' LEU . 0.4 OUTLIER -77.93 104.24 8.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 74.430000000000007 110.003 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 803' ' ' LEU . . . . . 0.849 HD11 HG12 ' A' ' 809' ' ' ILE . 2.2 mp -101.14 151.27 22.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 63.329999999999998 109.278 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -156.8 118.63 3.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 74.099999999999994 109.265 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 805' ' ' GLU . . . . . 0.448 ' HG3' ' CA ' ' A' ' 791' ' ' TYR . 4.8 mt-10 -39.15 135.3 0.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 72.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 85.5 4.93 85.33 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.528 1.143 . . . . 73.329999999999998 111.0 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -107.62 158.06 17.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 0.768 . . . . 73.430000000000007 109.277 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 808' ' ' ILE . . . . . 0.731 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -109.85 147.09 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 72.140000000000001 109.328 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 809' ' ' ILE . . . . . 0.894 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.6 mp -118.63 115.97 49.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 55.039999999999999 109.274 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 810' ' ' LYS . . . . . . . . . . . . . 6.8 tptm -71.87 112.07 7.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 73.5 109.319 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 811' ' ' ILE . . . . . 0.59 HD11 ' HB2' ' A' ' 787' ' ' ALA . 15.8 mm -70.35 121.05 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 72.129999999999995 109.306 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 812' ' ' LEU . . . . . . . . . . . . . 2.2 mt -113.09 -48.02 3.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 72.239999999999995 109.28 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -124.28 151.25 44.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 74.099999999999994 109.258 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 814' ' ' LYS . . . . . 0.565 ' HA ' ' CD1' ' A' ' 821' ' ' TRP . 9.5 mttm -129.96 82.04 2.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 75.540000000000006 109.359 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 815' ' ' LYS . . . . . 0.471 ' HA ' ' HZ3' ' A' ' 815' ' ' LYS . 0.4 OUTLIER -72.34 102.28 3.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 75.530000000000001 109.317 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 816' ' ' GLY . . . . . . . . . . . . . . . 52.54 172.88 0.03 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.501 1.125 . . . . 53.030000000000001 110.978 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -89.01 -0.9 57.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 0.761 . . . . 72.400000000000006 110.304 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -136.68 132.69 35.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 52.539999999999999 110.293 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . 129.62 -107.16 0.78 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.475 1.109 . . . . 63.149999999999999 110.988 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 820' ' ' TRP . . . . . 0.587 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.34 172.56 12.53 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.987 -1.116 . . . . 75.510000000000005 107.987 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 821' ' ' TRP . . . . . 0.565 ' CD1' ' HA ' ' A' ' 814' ' ' LYS . 11.9 m0 -131.41 144.69 51.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 74.310000000000002 107.99 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 822' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -90.23 132.56 35.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 71.310000000000002 110.335 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -152.23 -155.51 7.08 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.558 1.161 . . . . 63.030000000000001 111.028 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 824' ' ' GLU . . . . . 0.916 ' HB2' HD13 ' A' ' 829' ' ' ILE . 18.2 tt0 -167.45 156.79 10.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 0.746 . . . . 52.340000000000003 110.292 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 825' ' ' ILE . . . . . 0.578 HG23 ' CE1' ' A' ' 826' ' ' TYR . 2.3 mt -147.39 124.13 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 65.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 826' ' ' TYR . . . . . 0.578 ' CE1' HG23 ' A' ' 825' ' ' ILE . 3.2 m-30 61.72 19.16 10.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 75.140000000000001 110.985 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 96.73 -2.98 62.61 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.52 1.138 . . . . 73.239999999999995 111.043 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 828' ' ' ARG . . . . . 0.462 ' CD ' ' HB2' ' A' ' 826' ' ' TYR . 1.8 mpt_? -88.35 115.31 25.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.742 . . . . 74.400000000000006 110.287 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 829' ' ' ILE . . . . . 0.916 HD13 ' HB2' ' A' ' 824' ' ' GLU . 2.9 mm -87.42 155.01 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 55.420000000000002 109.332 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 173.15 -163.56 35.2 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.499 1.124 . . . . 74.409999999999997 111.006 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 831' ' ' TRP . . . . . 0.587 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 43.3 m95 -128.97 170.67 13.17 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.039 -1.097 . . . . 75.209999999999994 108.039 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 832' ' ' PHE . . . . . 0.894 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 29.0 p90 -175.14 152.3 1.44 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.125 . . . . 71.099999999999994 111.011 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 146.79 33.17 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.779 . . . . 62.420000000000002 111.01 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 11.1 p -85.0 3.86 36.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 71.010000000000005 110.003 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -100.59 -3.83 29.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 51.140000000000001 109.282 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -110.8 -4.81 15.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.117 . . . . 74.409999999999997 111.023 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 837' ' ' VAL . . . . . 0.775 HG21 ' HE2' ' A' ' 832' ' ' PHE . 29.1 m -128.63 166.32 26.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 60.329999999999998 109.293 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 838' ' ' GLU . . . . . 0.423 ' CD ' ' CG ' ' A' ' 790' ' ' ARG . 33.2 mt-10 -111.54 133.18 54.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 71.420000000000002 110.317 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 839' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 841' ' ' TYR . 0.3 OUTLIER -109.84 142.53 41.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 74.349999999999994 110.317 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 840' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 839' ' ' GLU . 23.7 t0 40.0 29.87 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 70.209999999999994 109.308 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 841' ' ' TYR . . . . . 0.57 ' CE2' ' HB2' ' A' ' 788' ' ' LYS . 2.1 p90 -46.83 -25.77 0.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 71.230000000000004 111.015 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 842' ' ' SER . . . . . . . . . . . . . 81.0 p -161.14 153.63 20.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 64.319999999999993 110.029 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -89.01 140.86 29.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 65.010000000000005 110.364 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 844' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -108.06 52.09 0.72 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 72.219999999999999 111.026 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 845' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 845' ' ' LEU . 15.5 mt -71.58 155.82 92.08 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 73.239999999999995 109.32 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 846' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 152.32 40.47 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.545 1.813 . . . . 73.150000000000006 110.992 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -78.84 152.74 31.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 71.329999999999998 110.306 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 848' ' ' THR . . . . . . . . . . . . . 25.0 p . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 72.010000000000005 110.394 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.012 -0.835 . . . . 61.039999999999999 111.012 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 781' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 106.55 2.3 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.494 1.786 . . . . 51.520000000000003 110.991 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 782' ' ' GLY . . . . . . . . . . . . . . . 142.12 54.47 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.547 1.154 . . . . 54.140000000000001 111.009 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 783' ' ' THR . . . . . . . . . . . . . 90.9 m -48.83 150.79 1.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 0.79 . . . . 74.239999999999995 110.416 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 784' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -126.43 -177.98 4.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 75.430000000000007 110.961 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . -145.63 -112.98 0.8 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.533 1.145 . . . . 62.310000000000002 110.967 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 2.6 p -138.27 -179.06 5.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 0.787 . . . . 73.140000000000001 110.407 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 787' ' ' ALA . . . . . 0.554 ' HB2' HD11 ' A' ' 811' ' ' ILE . . . -150.34 104.71 3.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 73.450000000000003 109.294 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 788' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -74.31 114.08 12.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 74.140000000000001 109.335 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -58.99 126.78 29.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 64.439999999999998 109.309 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 790' ' ' ARG . . . . . 0.443 ' C ' ' CD1' ' A' ' 791' ' ' TYR . 14.0 mmt180 -107.01 -3.1 20.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 75.219999999999999 110.355 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 791' ' ' TYR . . . . . 0.443 ' CD1' ' C ' ' A' ' 790' ' ' ARG . 75.9 m-85 -153.33 128.26 9.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 73.219999999999999 111.022 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 792' ' ' ASP . . . . . 0.404 ' OD2' ' N ' ' A' ' 792' ' ' ASP . 16.7 p-10 -64.77 109.86 2.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 71.340000000000003 109.32 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 793' ' ' PHE . . . . . 0.558 ' CZ ' ' HG3' ' A' ' 833' ' ' PRO . 4.5 t80 -102.94 132.02 49.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 73.310000000000002 110.997 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 34.6 m -88.09 127.64 35.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 73.219999999999999 108.316 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 795' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 796' ' ' ARG . . . -82.2 103.43 11.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 64.450000000000003 109.303 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 796' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 795' ' ' ALA . 12.1 ptm180 -38.94 -34.89 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 72.519999999999996 110.352 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -157.06 174.69 15.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 71.329999999999998 109.286 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 4.2 tpt85 -59.09 -25.95 64.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 72.319999999999993 110.322 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.94 -21.58 64.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 61.229999999999997 109.995 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -97.25 146.21 25.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 63.219999999999999 110.304 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 801' ' ' LEU . . . . . 0.507 HD13 ' N ' ' A' ' 830' ' ' GLY . 4.0 tp -84.31 133.03 34.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.153 . . . . 71.409999999999997 109.318 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 9.4 t -94.98 122.32 37.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 73.519999999999996 110.008 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 803' ' ' LEU . . . . . 0.452 ' HB2' ' CB ' ' A' ' 793' ' ' PHE . 0.2 OUTLIER -96.08 160.48 14.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 63.530000000000001 109.277 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 804' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 805' ' ' GLU . 0.6 OUTLIER -157.34 110.62 2.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 73.230000000000004 109.317 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 805' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 791' ' ' TYR . 4.6 mt-10 -38.86 136.63 0.74 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 72.439999999999998 110.304 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 86.34 6.06 81.65 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.496 1.123 . . . . 44.520000000000003 111.01 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -109.43 157.16 19.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 0.787 . . . . 75.439999999999998 109.228 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 808' ' ' ILE . . . . . 0.771 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -109.58 138.73 35.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.528 1.142 . . . . 64.549999999999997 109.284 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 809' ' ' ILE . . . . . 0.88 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 2.1 mp -116.13 117.23 54.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.425 1.078 . . . . 41.310000000000002 109.315 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 810' ' ' LYS . . . . . . . . . . . . . 5.3 tptm -76.23 114.21 14.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 73.209999999999994 109.261 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 811' ' ' ILE . . . . . 0.554 HD11 ' HB2' ' A' ' 787' ' ' ALA . 2.9 mm -70.2 124.36 26.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 71.400000000000006 109.333 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 812' ' ' LEU . . . . . 0.482 HD12 ' CA ' ' A' ' 823' ' ' GLY . 1.4 mt -116.23 -43.66 2.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 75.430000000000007 109.278 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -132.78 157.81 44.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 55.030000000000001 109.315 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 814' ' ' LYS . . . . . 0.415 ' HD3' ' NE1' ' A' ' 821' ' ' TRP . 13.6 mttt -137.75 79.25 1.73 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 74.120000000000005 109.292 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 815' ' ' LYS . . . . . 0.541 ' HG3' ' CZ3' ' A' ' 831' ' ' TRP . 12.2 mmmt -57.7 -173.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 62.109999999999999 109.316 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 816' ' ' GLY . . . . . . . . . . . . . . . -37.82 140.21 0.46 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.475 1.109 . . . . 23.140000000000001 111.018 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 817' ' ' GLN . . . . . 0.49 ' O ' ' CG ' ' A' ' 818' ' ' GLN . 70.7 mt-30 -59.15 166.84 1.96 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 0.75 . . . . 63.409999999999997 110.302 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 818' ' ' GLN . . . . . 0.49 ' CG ' ' O ' ' A' ' 817' ' ' GLN . 11.3 pt20 45.95 25.65 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 64.319999999999993 110.319 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . -113.79 -105.67 2.68 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.525 1.141 . . . . 72.150000000000006 111.004 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 820' ' ' TRP . . . . . 0.542 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.47 172.05 13.22 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.021 -1.103 . . . . 74.140000000000001 108.021 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 821' ' ' TRP . . . . . 0.559 ' CZ3' ' HB2' ' A' ' 834' ' ' SER . 40.4 m0 -131.42 132.54 44.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 70.239999999999995 108.03 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 822' ' ' ARG . . . . . 0.496 ' HG3' ' CE2' ' A' ' 831' ' ' TRP . 27.3 ttt180 -90.36 113.15 24.98 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 63.240000000000002 110.269 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 823' ' ' GLY . . . . . 0.482 ' CA ' HD12 ' A' ' 812' ' ' LEU . . . -132.51 -151.54 6.76 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.493 1.121 . . . . 63.329999999999998 111.03 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 824' ' ' GLU . . . . . 0.866 ' HB2' HD13 ' A' ' 829' ' ' ILE . 15.6 tt0 -164.23 156.87 17.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 0.736 . . . . 55.130000000000003 110.319 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 825' ' ' ILE . . . . . 0.537 HG22 ' CD2' ' A' ' 826' ' ' TYR . 2.0 mt -152.86 128.19 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 54.210000000000001 109.291 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 826' ' ' TYR . . . . . 0.537 ' CD2' HG22 ' A' ' 825' ' ' ILE . 4.3 m-30 60.73 22.48 12.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 73.099999999999994 110.956 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 89.29 4.94 73.37 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.517 1.136 . . . . 75.340000000000003 111.018 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 828' ' ' ARG . . . . . 0.435 ' O ' ' HA ' ' A' ' 824' ' ' GLU . 65.8 mtt-85 -95.85 119.04 33.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 0.772 . . . . 71.25 110.311 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 829' ' ' ILE . . . . . 0.866 HD13 ' HB2' ' A' ' 824' ' ' GLU . 2.6 mm -92.75 159.2 2.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 74.109999999999999 109.293 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 830' ' ' GLY . . . . . 0.507 ' N ' HD13 ' A' ' 801' ' ' LEU . . . 164.77 -158.7 31.56 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.481 1.113 . . . . 64.310000000000002 110.994 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 831' ' ' TRP . . . . . 0.542 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 52.1 m95 -130.26 174.78 9.5 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.983 -1.117 . . . . 73.329999999999998 107.983 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 832' ' ' PHE . . . . . 0.88 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 41.0 p90 -178.33 154.43 0.91 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 75.329999999999998 110.996 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 833' ' ' PRO . . . . . 0.558 ' HG3' ' CZ ' ' A' ' 793' ' ' PHE . 18.5 Cg_endo -74.93 146.19 32.65 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.519 1.8 . . . . 55.5 111.009 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 834' ' ' SER . . . . . 0.745 ' HA ' HG22 ' A' ' 837' ' ' VAL . 54.3 p -83.75 -8.74 59.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 71.239999999999995 110.028 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 835' ' ' ASN . . . . . 0.41 ' N ' ' OD1' ' A' ' 835' ' ' ASN . 0.7 OUTLIER -77.88 -13.9 59.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 64.129999999999995 109.326 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 836' ' ' TYR . . . . . 0.46 ' C ' HG13 ' A' ' 837' ' ' VAL . 15.9 m-85 -114.68 25.39 11.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 75.129999999999995 111.024 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 837' ' ' VAL . . . . . 0.745 HG22 ' HA ' ' A' ' 834' ' ' SER . 13.9 m -153.95 168.24 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 73.040000000000006 109.28 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 838' ' ' GLU . . . . . 0.401 ' O ' ' HA ' ' A' ' 787' ' ' ALA . 12.3 mt-10 -116.52 171.22 7.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 53.340000000000003 110.27 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 839' ' ' GLU . . . . . 0.546 ' HG3' ' CZ3' ' A' ' 821' ' ' TRP . 3.6 mm-40 -148.18 140.06 23.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 71.150000000000006 110.293 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 33.2 t70 46.23 26.04 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 75.439999999999998 109.282 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 841' ' ' TYR . . . . . 0.406 ' N ' ' C ' ' A' ' 839' ' ' GLU . 16.3 p90 -57.78 -175.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 73.030000000000001 111.002 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 842' ' ' SER . . . . . . . . . . . . . 45.3 p -108.22 175.8 5.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 71.019999999999996 110.003 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -110.95 147.08 35.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 74.519999999999996 110.27 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 844' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -121.1 51.01 1.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 63.210000000000001 110.979 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 845' ' ' LEU . . . . . . . . . . . . . 39.7 mt -43.25 156.16 0.27 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 62.240000000000002 109.309 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 846' ' ' PRO . . . . . 0.433 ' HG2' HG22 ' A' ' 848' ' ' THR . 18.1 Cg_endo -75.01 175.46 11.21 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.46 1.769 . . . . 73.430000000000007 110.983 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -67.45 -15.92 63.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 75.230000000000004 110.279 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 848' ' ' THR . . . . . 0.433 HG22 ' HG2' ' A' ' 846' ' ' PRO . 1.7 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 73.140000000000001 110.414 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 785' ' ' GLY . . . . . 0.468 ' O ' HG23 ' A' ' 786' ' ' THR . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.991 -0.844 . . . . 72.34 110.991 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 786' ' ' THR . . . . . 0.468 HG23 ' O ' ' A' ' 785' ' ' GLY . 6.7 p -153.88 174.45 14.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.757 . . . . 73.0 110.354 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 787' ' ' ALA . . . . . 0.664 ' HB2' HD11 ' A' ' 811' ' ' ILE . . . -140.74 108.52 5.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 64.01 109.289 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 788' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -75.05 118.35 17.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 44.44 109.325 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -62.3 142.55 57.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 64.51 109.378 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 790' ' ' ARG . . . . . 0.439 ' HG3' ' CG ' ' A' ' 838' ' ' GLU . 14.0 mmt85 -116.6 -2.3 11.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 64.14 110.291 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 791' ' ' TYR . . . . . 0.421 ' CA ' ' HG3' ' A' ' 805' ' ' GLU . 81.4 m-85 -145.25 133.71 21.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 70.44 110.994 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -67.7 98.14 0.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 61.1 109.265 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 793' ' ' PHE . . . . . 0.459 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.2 t80 -84.86 173.97 10.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 75.1 110.964 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 64.6 m -152.36 105.7 3.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 73.43 108.26 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -68.14 118.53 11.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 53.32 109.305 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -87.18 -12.15 47.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 71.21 110.291 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -134.67 -172.83 3.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 73.42 109.3 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.29 -13.54 23.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 61.55 110.245 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 44.5 p -87.72 -6.46 58.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 61.32 109.948 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -100.4 149.59 23.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 75.31 110.302 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 801' ' ' LEU . . . . . 0.612 HD23 ' H ' ' A' ' 802' ' ' SER . 0.9 OUTLIER -87.52 137.46 32.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 55.31 109.296 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 802' ' ' SER . . . . . 0.612 ' H ' HD23 ' A' ' 801' ' ' LEU . 1.5 p -86.8 96.54 10.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 61.42 109.984 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 803' ' ' LEU . . . . . 0.832 HD11 HG12 ' A' ' 809' ' ' ILE . 0.9 OUTLIER -89.46 159.59 17.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 55.43 109.345 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -162.74 117.37 1.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 61.1 109.302 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 805' ' ' GLU . . . . . 0.421 ' HG3' ' CA ' ' A' ' 791' ' ' TYR . 5.5 mt-10 -41.95 138.12 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 72.4 110.274 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 83.67 8.1 85.09 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.538 1.149 . . . . 72.21 111.008 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -113.85 163.04 15.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 63.12 109.334 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 808' ' ' ILE . . . . . 0.6 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -113.95 146.06 19.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 74.23 109.263 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 809' ' ' ILE . . . . . 0.944 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.7 mp -113.74 114.75 47.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 74.2 109.294 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 810' ' ' LYS . . . . . 0.42 ' HD2' ' N ' ' A' ' 811' ' ' ILE . 13.4 tptt -68.81 114.91 7.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 63.45 109.343 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 811' ' ' ILE . . . . . 0.664 HD11 ' HB2' ' A' ' 787' ' ' ALA . 3.1 mm -73.7 130.83 35.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 75.52 109.284 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 812' ' ' LEU . . . . . 0.425 HD21 ' OE1' ' A' ' 824' ' ' GLU . 1.7 mt -121.19 -44.13 2.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 74.25 109.301 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -141.52 152.23 43.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.165 . . . . 75.44 109.261 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 814' ' ' LYS . . . . . 0.563 ' HG2' ' CD1' ' A' ' 821' ' ' TRP . 19.1 mttp . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 61.25 109.309 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.971 -0.852 . . . . 23.53 110.971 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 820' ' ' TRP . . . . . 0.516 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.33 172.67 12.37 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.026 -1.101 . . . . 75.35 108.026 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 821' ' ' TRP . . . . . 0.563 ' CD1' ' HG2' ' A' ' 814' ' ' LYS . 15.6 m0 -128.02 147.29 50.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 72.35 108.018 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 822' ' ' ARG . . . . . . . . . . . . . 6.6 ttm-85 -97.89 116.05 29.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 65.04 110.279 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -144.2 -172.26 14.76 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.491 1.119 . . . . 62.34 111.01 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 824' ' ' GLU . . . . . 0.77 ' HB3' HD13 ' A' ' 829' ' ' ILE . 0.7 OUTLIER -143.41 167.81 21.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.774 . . . . 73.23 110.258 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 825' ' ' ILE . . . . . 0.454 HD11 ' CD1' ' A' ' 809' ' ' ILE . 2.2 mt -157.39 123.18 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 72.21 109.282 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 8.3 m-30 57.85 20.9 7.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 74.52 111.012 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 92.55 13.78 56.47 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.463 1.102 . . . . 73.32 111.018 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . 0.403 ' O ' ' HA ' ' A' ' 824' ' ' GLU . 77.0 mtt180 -104.93 111.71 24.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 0.751 . . . . 73.22 110.272 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 829' ' ' ILE . . . . . 0.77 HD13 ' HB3' ' A' ' 824' ' ' GLU . 3.4 mm -88.29 155.13 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.11 . . . . 75.13 109.301 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 169.54 -169.7 42.2 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 30.1 110.988 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 831' ' ' TRP . . . . . 0.516 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 73.2 m95 -120.89 150.85 40.42 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.018 -1.105 . . . . 73.01 108.018 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 832' ' ' PHE . . . . . 0.944 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 30.5 p90 -153.81 152.44 26.99 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 64.34 111.009 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 147.93 34.69 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.465 1.771 . . . . 71.14 111.026 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . 0.689 ' HA ' HG22 ' A' ' 837' ' ' VAL . 7.4 t -89.69 3.88 51.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 52.42 109.996 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -94.28 -13.46 26.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 70.4 109.278 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -110.52 -2.09 16.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 65.14 110.978 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . 0.819 HG21 ' HE2' ' A' ' 832' ' ' PHE . 13.8 m -125.97 169.61 17.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 60.21 109.305 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 838' ' ' GLU . . . . . 0.439 ' CG ' ' HG3' ' A' ' 790' ' ' ARG . 6.1 mm-40 -137.23 124.7 22.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 60.21 110.325 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.37 175.2 5.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 74.31 110.294 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 32.6 t70 40.55 51.64 2.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 70.13 109.299 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 841' ' ' TYR . . . . . . . . . . . . . 22.9 p90 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 74.13 111.015 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 785' ' ' GLY . . . . . 0.549 ' O ' HG23 ' A' ' 786' ' ' THR . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.973 -0.851 . . . . 55.02 110.973 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 786' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 785' ' ' GLY . 2.3 p -155.66 170.71 21.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 0.742 . . . . 75.52 110.373 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 787' ' ' ALA . . . . . 0.663 ' HB2' HD11 ' A' ' 811' ' ' ILE . . . -144.92 110.19 5.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 75.35 109.356 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 788' ' ' LYS . . . . . 0.559 ' HB2' ' CE2' ' A' ' 841' ' ' TYR . 11.9 tttt -73.38 116.12 13.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 52.15 109.331 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 789' ' ' ALA . . . . . 0.54 ' HB2' ' CD1' ' A' ' 809' ' ' ILE . . . -60.41 133.56 56.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 40.12 109.27 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 790' ' ' ARG . . . . . 0.459 ' CG ' ' HG3' ' A' ' 838' ' ' GLU . 6.1 mmp_? -107.34 -5.37 17.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 74.32 110.36 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 791' ' ' TYR . . . . . 0.449 ' CA ' ' HG3' ' A' ' 805' ' ' GLU . 71.7 m-85 -153.42 128.43 9.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.112 . . . . 72.34 110.99 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.16 108.39 1.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 70.4 109.28 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 793' ' ' PHE . . . . . 0.447 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.2 t80 -98.82 116.22 30.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 63.22 110.994 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 4.3 m -82.52 113.51 20.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 74.33 108.305 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -74.96 105.0 5.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 65.12 109.308 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -53.39 -22.94 8.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 72.32 110.315 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -161.12 178.97 8.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 74.21 109.324 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 54.8 mtp85 -67.43 -10.11 48.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 60.32 110.295 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 57.4 p -74.13 -10.15 59.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 70.22 110.034 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -120.98 159.91 24.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 55.32 110.257 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 801' ' ' LEU . . . . . 0.62 HD23 ' H ' ' A' ' 802' ' ' SER . 0.9 OUTLIER -94.87 137.62 33.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 70.25 109.296 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 802' ' ' SER . . . . . 0.62 ' H ' HD23 ' A' ' 801' ' ' LEU . 1.0 OUTLIER -83.44 105.82 14.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 65.34 109.946 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 803' ' ' LEU . . . . . 0.527 HD21 ' HB2' ' A' ' 832' ' ' PHE . 0.9 OUTLIER -98.32 156.01 16.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 65.42 109.276 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 804' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 805' ' ' GLU . 1.0 OUTLIER -155.95 113.09 3.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 63.34 109.287 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 805' ' ' GLU . . . . . 0.449 ' HG3' ' CA ' ' A' ' 791' ' ' TYR . 7.1 mt-10 -38.79 133.68 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 72.04 110.298 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 89.85 -1.82 81.32 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.513 1.133 . . . . 71.43 110.979 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -102.09 164.49 11.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 0.79 . . . . 71.22 109.322 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 808' ' ' ILE . . . . . 0.674 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -113.55 145.55 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 52.02 109.322 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 809' ' ' ILE . . . . . 0.921 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.4 mp -115.86 115.66 49.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 54.14 109.328 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 810' ' ' LYS . . . . . 0.412 ' HD2' ' N ' ' A' ' 811' ' ' ILE . 5.6 tptm -70.02 114.22 7.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 63.23 109.281 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 811' ' ' ILE . . . . . 0.663 HD11 ' HB2' ' A' ' 787' ' ' ALA . 12.2 mm -73.95 117.18 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 73.22 109.315 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 812' ' ' LEU . . . . . . . . . . . . . 1.2 mt -106.94 -53.38 2.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 75.2 109.295 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -124.71 164.54 19.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 64.32 109.299 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 814' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 54.33 109.317 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.041 -0.824 . . . . 62.13 111.041 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 820' ' ' TRP . . . . . 0.554 ' CE3' ' HB3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.37 172.75 12.27 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.021 -1.103 . . . . 73.24 108.021 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 821' ' ' TRP . . . . . 0.557 ' CH2' ' OG ' ' A' ' 834' ' ' SER . 41.8 m0 -128.06 144.72 51.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 71.51 108.008 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 822' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -94.64 103.38 15.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 51.44 110.32 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 823' ' ' GLY . . . . . 0.486 ' C ' HD11 ' A' ' 801' ' ' LEU . . . -130.09 -174.58 13.74 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.532 1.145 . . . . 73.51 110.983 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 824' ' ' GLU . . . . . 0.806 ' HB3' HD13 ' A' ' 829' ' ' ILE . 1.6 pt-20 -143.46 168.7 19.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 0.786 . . . . 72.35 110.31 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 825' ' ' ILE . . . . . 0.454 HD11 ' CD1' ' A' ' 809' ' ' ILE . 2.3 mt -156.37 123.62 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 71.11 109.318 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 826' ' ' TYR . . . . . 0.445 ' CD1' ' N ' ' A' ' 826' ' ' TYR . 5.4 m-30 58.98 20.2 7.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 75.15 111.048 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 93.54 11.3 58.33 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.5 1.125 . . . . 71.11 110.997 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' A' ' 824' ' ' GLU . 22.2 mtp180 -103.48 113.6 27.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 0.761 . . . . 75.51 110.26 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 829' ' ' ILE . . . . . 0.806 HD13 ' HB3' ' A' ' 824' ' ' GLU . 3.6 mm -88.04 157.05 3.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 70.03 109.315 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 171.51 -170.29 43.21 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.473 1.108 . . . . 53.33 110.991 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 831' ' ' TRP . . . . . 0.554 ' HB3' ' CE3' ' A' ' 820' ' ' TRP . 81.3 m95 -120.83 146.89 46.08 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.056 -1.09 . . . . 73.24 108.056 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 832' ' ' PHE . . . . . 0.921 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 30.9 p90 -153.57 152.39 27.22 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 72.45 110.988 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 148.31 35.29 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.46 1.769 . . . . 72.14 111.008 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . 0.557 ' OG ' ' CH2' ' A' ' 821' ' ' TRP . 6.4 t -87.49 3.9 45.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 71.24 110.003 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -99.8 -9.95 22.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 75.13 109.304 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -107.38 -4.62 18.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 73.33 111.009 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . 0.818 HG21 ' HE2' ' A' ' 832' ' ' PHE . 15.6 m -119.28 178.74 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 74.32 109.329 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 838' ' ' GLU . . . . . 0.459 ' HG3' ' CG ' ' A' ' 790' ' ' ARG . 7.3 mt-10 -111.72 173.17 6.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 75.33 110.302 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 839' ' ' GLU . . . . . 0.434 ' C ' ' N ' ' A' ' 841' ' ' TYR . 11.1 mp0 -149.79 131.66 15.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 72.11 110.293 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 30.6 t70 40.61 29.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 64.22 109.286 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 841' ' ' TYR . . . . . 0.559 ' CE2' ' HB2' ' A' ' 788' ' ' LYS . 21.1 p90 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 65.42 111.05 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.032 -0.827 . . . . 52.03 111.032 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 4.7 p -148.76 175.74 10.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 70.22 110.405 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 787' ' ' ALA . . . . . 0.474 ' HB2' HD11 ' A' ' 811' ' ' ILE . . . -143.7 110.34 5.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 54.41 109.264 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 788' ' ' LYS . . . . . 0.557 ' HB2' ' CE2' ' A' ' 841' ' ' TYR . 10.4 tttt -74.79 115.74 14.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 63.24 109.275 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -53.92 135.62 42.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 64.05 109.269 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 790' ' ' ARG . . . . . 0.467 ' CG ' ' HG3' ' A' ' 838' ' ' GLU . 17.3 mmt180 -108.4 -5.79 16.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 64.5 110.31 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 791' ' ' TYR . . . . . 0.436 ' CA ' ' HG3' ' A' ' 805' ' ' GLU . 95.0 m-85 -144.86 135.68 24.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 74.33 110.953 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -68.5 96.71 0.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 75.34 109.278 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 793' ' ' PHE . . . . . 0.441 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.1 t80 -84.07 174.78 10.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 63.1 110.99 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 34.9 t -152.28 109.29 3.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 71.1 108.274 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -75.01 137.41 41.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 53.12 109.323 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 796' ' ' ARG . . . . . 0.421 ' HD3' ' N ' ' A' ' 797' ' ' ASP . 0.0 OUTLIER -117.28 -9.38 10.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 73.41 110.299 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 797' ' ' ASP . . . . . 0.421 ' N ' ' HD3' ' A' ' 796' ' ' ARG . 15.6 t0 -143.88 166.8 23.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 73.43 109.26 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 17.2 mmt85 -73.79 -8.02 54.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 54.55 110.27 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 84.9 p -92.36 12.33 22.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 34.31 109.958 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -129.97 151.78 50.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 74.11 110.249 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 801' ' ' LEU . . . . . 0.615 HD23 ' H ' ' A' ' 802' ' ' SER . 0.9 OUTLIER -100.6 137.56 38.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 73.13 109.31 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 802' ' ' SER . . . . . 0.615 ' H ' HD23 ' A' ' 801' ' ' LEU . 0.6 OUTLIER -78.15 104.87 9.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 73.41 110.004 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 803' ' ' LEU . . . . . 0.862 HD11 HG12 ' A' ' 809' ' ' ILE . 1.2 mp -102.97 150.14 23.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 71.34 109.281 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -155.69 117.44 4.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 71.2 109.342 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 805' ' ' GLU . . . . . 0.436 ' HG3' ' CA ' ' A' ' 791' ' ' TYR . 9.8 mt-10 -39.16 134.42 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 61.14 110.274 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 88.87 -0.16 82.0 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.516 1.135 . . . . 75.23 110.986 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 807' ' ' ASP . . . . . 0.403 ' O ' ' HA ' ' A' ' 788' ' ' LYS . 2.3 m-20 -103.39 158.34 16.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.77 . . . . 73.34 109.298 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 808' ' ' ILE . . . . . 0.712 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -108.42 141.27 24.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 71.43 109.318 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 809' ' ' ILE . . . . . 0.949 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.6 mp -112.15 115.4 49.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 75.43 109.308 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 810' ' ' LYS . . . . . 0.441 ' HG3' HD21 ' A' ' 812' ' ' LEU . 5.9 tptm -71.59 114.23 9.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 74.15 109.273 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 811' ' ' ILE . . . . . 0.474 HD11 ' HB2' ' A' ' 787' ' ' ALA . 19.3 mm -76.61 128.58 37.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 72.12 109.342 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 812' ' ' LEU . . . . . 0.441 HD21 ' HG3' ' A' ' 810' ' ' LYS . 0.8 OUTLIER -119.31 -41.29 2.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 71.04 109.335 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -137.5 149.65 46.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 64.52 109.312 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 814' ' ' LYS . . . . . 0.519 ' HA ' ' CD1' ' A' ' 821' ' ' TRP . 19.3 mttm . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 74.42 109.286 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 110.964 -0.854 . . . . 54.04 110.964 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 820' ' ' TRP . . . . . 0.715 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.31 172.8 12.2 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.992 -1.114 . . . . 75.21 107.992 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 821' ' ' TRP . . . . . 0.586 ' CH2' ' OE1' ' A' ' 839' ' ' GLU . 21.9 m0 -129.9 138.4 50.9 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.989 -1.115 . . . . 64.23 107.989 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 822' ' ' ARG . . . . . 0.428 ' HG3' ' CE2' ' A' ' 831' ' ' TRP . 3.9 ttt180 -87.28 117.32 25.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 63.5 110.268 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 823' ' ' GLY . . . . . 0.529 ' C ' HD11 ' A' ' 801' ' ' LEU . . . -139.95 -166.99 10.85 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.528 1.142 . . . . 50.35 111.027 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 824' ' ' GLU . . . . . 0.91 ' HB2' HD13 ' A' ' 829' ' ' ILE . 19.2 tt0 -155.9 156.79 35.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 0.776 . . . . 74.45 110.33 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 825' ' ' ILE . . . . . 0.576 HG23 ' CE1' ' A' ' 826' ' ' TYR . 2.7 mt -147.35 126.34 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.122 . . . . 63.04 109.312 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 826' ' ' TYR . . . . . 0.581 ' HD2' HH21 ' A' ' 828' ' ' ARG . 3.2 m-30 60.03 21.82 10.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 72.42 110.993 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 90.54 8.46 65.82 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.501 1.126 . . . . 33.21 111.021 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . 0.581 HH21 ' HD2' ' A' ' 826' ' ' TYR . 62.1 mtm180 -99.52 115.08 28.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 0.78 . . . . 75.45 110.262 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 829' ' ' ILE . . . . . 0.91 HD13 ' HB2' ' A' ' 824' ' ' GLU . 2.7 mm -87.4 155.91 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 70.14 109.264 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 173.14 -165.55 37.79 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.537 1.148 . . . . 52.42 111.062 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 831' ' ' TRP . . . . . 0.715 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 57.1 m95 -128.58 151.8 49.05 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.989 -1.115 . . . . 74.44 107.989 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 832' ' ' PHE . . . . . 0.949 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 30.5 p90 -156.51 153.43 24.84 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.434 1.084 . . . . 72.01 111.016 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 148.24 34.83 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.478 1.778 . . . . 72.53 111.003 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . 0.641 ' HA ' HG22 ' A' ' 837' ' ' VAL . 48.5 p -88.74 3.97 49.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 52.25 109.971 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -97.47 -12.15 22.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.108 . . . . 70.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -109.75 -3.33 16.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 73.1 110.972 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . 0.825 HG21 ' HE2' ' A' ' 832' ' ' PHE . 16.5 m -121.78 171.29 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 74.13 109.315 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 838' ' ' GLU . . . . . 0.467 ' HG3' ' CG ' ' A' ' 790' ' ' ARG . 5.5 mt-10 -114.31 178.82 4.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 75.32 110.347 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 839' ' ' GLU . . . . . 0.586 ' OE1' ' CH2' ' A' ' 821' ' ' TRP . 5.1 mt-10 -158.41 140.3 13.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 72.32 110.327 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 840' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 839' ' ' GLU . 26.5 t0 40.47 29.92 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 71.14 109.28 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 841' ' ' TYR . . . . . 0.557 ' CE2' ' HB2' ' A' ' 788' ' ' LYS . 21.6 p90 . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.517 1.135 . . . . 71.42 110.963 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 785' ' ' GLY . . . . . 0.609 ' O ' HG23 ' A' ' 786' ' ' THR . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.947 -0.861 . . . . 65.3 110.947 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 786' ' ' THR . . . . . 0.609 HG23 ' O ' ' A' ' 785' ' ' GLY . 2.3 p -157.69 179.48 9.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.766 . . . . 73.04 110.364 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -142.24 108.43 5.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 63.32 109.309 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 788' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 838' ' ' GLU . 10.9 tttt -74.29 115.48 13.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 63.52 109.317 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 789' ' ' ALA . . . . . 0.513 ' HB2' ' CD1' ' A' ' 809' ' ' ILE . . . -60.88 137.69 58.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 64.41 109.259 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 790' ' ' ARG . . . . . 0.404 ' HA ' ' NE ' ' A' ' 790' ' ' ARG . 6.4 mmp_? -111.89 -5.6 14.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 75.45 110.309 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 791' ' ' TYR . . . . . 0.439 ' CA ' ' HG3' ' A' ' 805' ' ' GLU . 96.9 m-85 -150.51 128.18 11.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 64.34 111.001 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.9 112.32 3.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 72.01 109.284 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 793' ' ' PHE . . . . . 0.462 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.1 t80 -102.95 114.78 29.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 73.34 111.001 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 17.6 t -82.39 123.21 28.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 72.21 108.294 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -86.48 140.55 29.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 53.15 109.28 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 796' ' ' ARG . . . . . 0.487 ' CZ ' ' CG ' ' A' ' 797' ' ' ASP . 0.0 OUTLIER -118.05 -7.28 10.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 72.13 110.32 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 797' ' ' ASP . . . . . 0.487 ' CG ' ' CZ ' ' A' ' 796' ' ' ARG . 0.9 OUTLIER -147.15 165.25 30.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 75.22 109.315 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -70.4 -10.14 58.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 75.35 110.277 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 7.5 p -84.79 -17.04 39.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 64.33 109.973 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -99.59 150.09 22.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 73.41 110.322 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 801' ' ' LEU . . . . . 0.644 HD23 ' H ' ' A' ' 802' ' ' SER . 0.8 OUTLIER -103.32 139.77 38.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 70.33 109.28 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 802' ' ' SER . . . . . 0.644 ' H ' HD23 ' A' ' 801' ' ' LEU . 4.7 t -83.07 111.24 18.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 50.3 110.013 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 803' ' ' LEU . . . . . 0.462 ' HB2' ' CB ' ' A' ' 793' ' ' PHE . 0.7 OUTLIER -103.93 161.31 14.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 71.34 109.31 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -159.03 111.76 2.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 70.12 109.281 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 805' ' ' GLU . . . . . 0.439 ' HG3' ' CA ' ' A' ' 791' ' ' TYR . 5.9 mt-10 -38.94 136.32 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 72.14 110.32 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 86.27 4.83 83.43 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.459 1.099 . . . . 71.33 110.986 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -106.04 164.54 11.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 0.8 . . . . 52.23 109.339 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 808' ' ' ILE . . . . . 0.772 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -113.06 144.13 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 64.41 109.278 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 809' ' ' ILE . . . . . 0.918 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.5 mp -117.79 116.11 50.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 62.01 109.344 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 810' ' ' LYS . . . . . 0.418 ' HD2' ' N ' ' A' ' 811' ' ' ILE . 5.7 tptm -74.91 114.17 13.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 62.31 109.28 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 811' ' ' ILE . . . . . 0.418 ' N ' ' HD2' ' A' ' 810' ' ' LYS . 2.9 mm -70.77 128.28 33.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 52.34 109.271 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 812' ' ' LEU . . . . . . . . . . . . . 1.1 mt -121.47 -50.5 2.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 74.54 109.316 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 813' ' ' ASN . . . . . 0.461 ' CB ' ' HB3' ' A' ' 822' ' ' ARG . 2.6 t30 -129.02 88.2 2.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 74.54 109.281 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 814' ' ' LYS . . . . . 0.42 ' HG3' ' NE1' ' A' ' 821' ' ' TRP . 2.1 ttpm? . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 61.25 109.294 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.968 -0.853 . . . . 30.42 110.968 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 820' ' ' TRP . . . . . 0.739 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.4 OUTLIER -142.32 171.85 13.5 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.003 -1.11 . . . . 62.23 108.003 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 821' ' ' TRP . . . . . 0.588 ' O ' ' CE1' ' A' ' 832' ' ' PHE . 43.0 m0 -126.96 134.16 50.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 75.12 108.007 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 822' ' ' ARG . . . . . 0.461 ' HB3' ' CB ' ' A' ' 813' ' ' ASN . 5.4 ttm180 -88.44 102.96 15.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 63.44 110.291 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -127.43 -169.92 12.76 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.517 1.136 . . . . 72.05 110.973 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 824' ' ' GLU . . . . . 0.932 ' HB2' HD13 ' A' ' 829' ' ' ILE . 0.7 OUTLIER -151.49 149.69 29.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 0.792 . . . . 75.41 110.237 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 825' ' ' ILE . . . . . 0.472 HD11 ' CD1' ' A' ' 809' ' ' ILE . 3.2 mt -139.21 127.73 28.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 64.43 109.284 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 826' ' ' TYR . . . . . 0.469 ' CD1' ' N ' ' A' ' 826' ' ' TYR . 5.2 m-30 58.64 26.87 15.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 74.44 111.052 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 84.96 9.62 80.33 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.497 1.123 . . . . 61.52 111.005 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' A' ' 824' ' ' GLU . 56.6 mtt-85 -100.68 116.59 32.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 0.796 . . . . 74.32 110.319 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 829' ' ' ILE . . . . . 0.932 HD13 ' HB2' ' A' ' 824' ' ' GLU . 2.7 mm -87.37 160.55 2.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.464 1.103 . . . . 72.5 109.284 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 830' ' ' GLY . . . . . 0.416 ' N ' HG22 ' A' ' 829' ' ' ILE . . . 165.22 -176.32 40.91 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.526 1.141 . . . . 62.2 111.018 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 831' ' ' TRP . . . . . 0.739 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 64.6 m95 -117.55 148.9 41.46 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.029 -1.101 . . . . 74.2 108.029 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 832' ' ' PHE . . . . . 0.918 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 38.8 p90 -152.94 152.06 27.5 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 71.53 110.95 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 147.68 34.27 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.53 1.805 . . . . 64.42 110.978 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . 0.561 ' HB2' ' CH2' ' A' ' 821' ' ' TRP . 88.4 p -89.07 3.9 50.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 71.51 110.01 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 54.8 m-20 -95.55 -10.84 28.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 72.42 109.287 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -108.87 -7.3 15.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 74.13 110.998 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . 0.827 HG21 ' HE2' ' A' ' 832' ' ' PHE . 30.8 m -118.69 176.98 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 74.33 109.284 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 838' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 788' ' ' LYS . 75.6 mt-10 -147.61 125.6 12.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 75.44 110.324 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -118.26 178.17 4.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 73.24 110.341 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 25.9 t0 44.64 40.3 3.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 71.34 109.275 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 841' ' ' TYR . . . . . . . . . . . . . 28.9 p90 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 73.23 110.986 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 785' ' ' GLY . . . . . 0.66 ' O ' HG23 ' A' ' 786' ' ' THR . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.98 -0.848 . . . . 50.45 110.98 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 786' ' ' THR . . . . . 0.66 HG23 ' O ' ' A' ' 785' ' ' GLY . 2.3 p -158.72 170.07 22.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.76 . . . . 74.54 110.385 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 787' ' ' ALA . . . . . 0.688 ' CB ' HD11 ' A' ' 811' ' ' ILE . . . -147.63 107.39 3.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 51.14 109.283 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 788' ' ' LYS . . . . . 0.478 ' HB2' ' CZ ' ' A' ' 841' ' ' TYR . 36.9 tttt -65.55 132.45 48.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 72.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 789' ' ' ALA . . . . . 0.499 ' HB2' ' CD1' ' A' ' 809' ' ' ILE . . . -77.73 128.98 34.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 73.4 109.299 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 790' ' ' ARG . . . . . 0.46 ' C ' ' CD1' ' A' ' 791' ' ' TYR . 21.9 mmm180 -99.25 -3.79 33.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 54.25 110.284 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 791' ' ' TYR . . . . . 0.46 ' CD1' ' C ' ' A' ' 790' ' ' ARG . 41.0 m-85 -157.01 128.66 7.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 72.24 110.993 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.24 118.14 9.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 75.21 109.295 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 793' ' ' PHE . . . . . 0.464 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.2 t80 -105.74 128.34 53.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 74.43 111.015 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 55.8 m -92.08 105.06 17.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 44.1 108.28 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -66.73 111.13 3.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 63.33 109.281 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.53 -20.57 65.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 71.4 110.324 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -162.28 -177.82 5.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 73.33 109.296 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 46.4 mtt-85 -67.51 -11.47 58.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 63.53 110.307 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 26.4 p -73.12 -10.95 60.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 70.4 109.964 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -124.55 160.51 28.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 74.5 110.27 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 801' ' ' LEU . . . . . 0.642 HD23 ' H ' ' A' ' 802' ' ' SER . 0.8 OUTLIER -102.6 140.1 37.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 71.41 109.358 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 802' ' ' SER . . . . . 0.642 ' H ' HD23 ' A' ' 801' ' ' LEU . 9.8 m -78.61 99.5 6.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 64.33 110.006 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 803' ' ' LEU . . . . . 0.511 HD11 HG12 ' A' ' 809' ' ' ILE . 1.5 mp -90.45 157.45 17.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 72.24 109.295 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 2.0 tmtm? -157.07 110.51 2.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 74.15 109.321 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 805' ' ' GLU . . . . . 0.403 ' HG3' ' CA ' ' A' ' 791' ' ' TYR . 6.3 mt-10 -38.95 134.12 1.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 74.33 110.292 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 91.53 -7.56 79.79 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 63.31 111.03 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -97.2 165.42 12.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 64.04 109.331 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 808' ' ' ILE . . . . . 0.754 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -115.46 137.09 50.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 52.55 109.331 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 809' ' ' ILE . . . . . 0.904 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.3 mp -107.0 114.99 47.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 73.44 109.334 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 810' ' ' LYS . . . . . 0.406 ' HD2' ' N ' ' A' ' 811' ' ' ILE . 5.7 tptm -69.02 113.77 6.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 75.52 109.256 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 811' ' ' ILE . . . . . 0.688 HD11 ' CB ' ' A' ' 787' ' ' ALA . 12.1 mm -74.95 119.82 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 72.41 109.278 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 812' ' ' LEU . . . . . . . . . . . . . 1.2 mt -110.16 -51.9 2.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 61.41 109.3 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -122.32 164.57 17.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 74.23 109.302 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 814' ' ' LYS . . . . . 0.603 ' HA ' ' CD1' ' A' ' 821' ' ' TRP . 2.9 mtmp? . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 60.25 109.282 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.003 -0.839 . . . . 42.03 111.003 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 820' ' ' TRP . . . . . 0.739 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.36 172.49 12.62 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.013 -1.106 . . . . 73.4 108.013 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 821' ' ' TRP . . . . . 0.603 ' CD1' ' HA ' ' A' ' 814' ' ' LYS . 20.4 m0 -129.5 138.36 51.33 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.985 -1.117 . . . . 71.2 107.985 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 822' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -86.72 126.69 34.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 55.03 110.301 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -145.27 -159.56 8.17 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.488 1.118 . . . . 61.23 110.965 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 824' ' ' GLU . . . . . 0.902 ' HB2' HD13 ' A' ' 829' ' ' ILE . 0.6 OUTLIER -168.11 148.83 4.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 0.756 . . . . 55.3 110.312 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 825' ' ' ILE . . . . . 0.557 HG23 ' CE1' ' A' ' 826' ' ' TYR . 2.8 mt -138.07 125.55 29.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 70.51 109.259 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 826' ' ' TYR . . . . . 0.557 ' CE1' HG23 ' A' ' 825' ' ' ILE . 3.3 m-30 61.18 19.14 9.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 72.13 111.033 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 98.06 -8.92 63.31 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.505 1.128 . . . . 55.11 111.014 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . 0.414 ' O ' ' HA ' ' A' ' 824' ' ' GLU . 3.5 mpt_? -82.02 116.65 21.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 0.766 . . . . 72.23 110.246 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 829' ' ' ILE . . . . . 0.902 HD13 ' HB2' ' A' ' 824' ' ' GLU . 3.1 mm -87.5 156.45 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 74.02 109.3 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 174.76 -164.98 36.02 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.453 1.096 . . . . 74.14 111.028 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 831' ' ' TRP . . . . . 0.739 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 44.6 m95 -131.69 169.8 15.68 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.99 -1.115 . . . . 74.1 107.99 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 832' ' ' PHE . . . . . 0.904 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 31.6 p90 -175.79 152.66 1.32 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 64.31 111.022 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 146.75 32.98 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.493 1.786 . . . . 51.33 111.023 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . 0.446 ' HA ' HG22 ' A' ' 837' ' ' VAL . 18.8 p -81.69 3.92 23.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 75.34 109.996 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 21.2 m-20 -97.56 -8.8 28.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 71.04 109.33 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -109.39 -10.17 14.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 74.53 110.997 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . 0.804 HG21 ' HE2' ' A' ' 832' ' ' PHE . 30.4 m -117.78 170.58 7.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 70.01 109.31 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 838' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 788' ' ' LYS . 78.9 mt-10 -144.85 124.91 13.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 64.41 110.314 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 839' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 840' ' ' ASP . 0.0 OUTLIER -113.75 172.99 6.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 73.33 110.314 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 840' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 839' ' ' GLU . 25.4 t0 40.48 42.09 1.23 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 71.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 841' ' ' TYR . . . . . 0.478 ' CZ ' ' HB2' ' A' ' 788' ' ' LYS . 39.0 p90 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 75.42 111.013 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.996 -0.842 . . . . 33.5 110.996 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 5.5 p -151.48 174.58 13.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 0.772 . . . . 63.52 110.425 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 787' ' ' ALA . . . . . 0.596 ' HB2' HD11 ' A' ' 811' ' ' ILE . . . -140.57 107.88 5.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 61.41 109.3 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 788' ' ' LYS . . . . . 0.4 ' HB2' ' CE2' ' A' ' 841' ' ' TYR . 11.8 tttt -74.34 115.58 14.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 74.14 109.298 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -60.72 132.12 52.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.095 . . . . 34.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 790' ' ' ARG . . . . . 0.468 ' C ' ' CG ' ' A' ' 791' ' ' TYR . 51.3 mmm-85 -104.58 -5.2 21.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 71.22 110.308 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 791' ' ' TYR . . . . . 0.468 ' CG ' ' C ' ' A' ' 790' ' ' ARG . 37.3 m-85 -158.09 128.81 6.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 74.13 110.993 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 7.0 p30 -58.94 124.88 21.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 70.15 109.302 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 793' ' ' PHE . . . . . 0.554 ' CE2' ' CD ' ' A' ' 800' ' ' GLU . 1.1 t80 -113.69 115.11 27.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 75.53 110.962 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 60.6 m -84.13 109.86 18.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 72.13 108.28 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -64.25 98.26 0.22 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 54.13 109.299 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -63.28 -27.84 69.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 71.21 110.294 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -135.8 174.74 10.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 62.34 109.284 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -77.93 -5.04 49.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 73.02 110.295 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 45.6 p -87.47 -8.87 55.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 70.32 109.956 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 800' ' ' GLU . . . . . 0.554 ' CD ' ' CE2' ' A' ' 793' ' ' PHE . 32.8 tt0 -105.25 160.49 15.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 74.52 110.317 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 801' ' ' LEU . . . . . 0.623 HD23 ' H ' ' A' ' 802' ' ' SER . 0.9 OUTLIER -104.17 138.62 40.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 45.33 109.273 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 802' ' ' SER . . . . . 0.623 ' H ' HD23 ' A' ' 801' ' ' LEU . 1.3 t -79.69 108.33 13.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.092 . . . . 74.51 110.018 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 803' ' ' LEU . . . . . 0.444 ' HB2' ' CB ' ' A' ' 793' ' ' PHE . 0.5 OUTLIER -100.34 159.46 15.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 43.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -155.03 112.2 3.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 72.42 109.308 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -38.86 137.29 0.67 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 75.35 110.304 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 84.54 7.43 84.56 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.119 . . . . 73.14 111.008 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -109.85 161.08 15.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.765 . . . . 74.23 109.306 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 808' ' ' ILE . . . . . 0.618 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -112.25 142.55 24.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 61.23 109.307 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 809' ' ' ILE . . . . . 0.944 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.8 mp -111.12 114.54 47.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 74.31 109.298 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 810' ' ' LYS . . . . . 0.418 ' HD2' ' N ' ' A' ' 811' ' ' ILE . 17.4 tptt -69.7 114.13 7.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 54.11 109.305 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 811' ' ' ILE . . . . . 0.596 HD11 ' HB2' ' A' ' 787' ' ' ALA . 14.3 mm -74.7 126.85 36.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 64.11 109.305 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 812' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -117.63 -40.14 3.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 72.44 109.274 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -137.65 145.35 42.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 54.35 109.287 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 814' ' ' LYS . . . . . 0.45 ' HG2' ' CD1' ' A' ' 821' ' ' TRP . 14.9 mtmm . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 74.11 109.291 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.991 -0.843 . . . . 40.44 110.991 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 820' ' ' TRP . . . . . 0.467 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.34 172.9 12.06 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.981 -1.118 . . . . 75.42 107.981 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 821' ' ' TRP . . . . . 0.454 ' CZ3' ' HG3' ' A' ' 839' ' ' GLU . 7.9 m0 -133.01 147.43 52.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 74.34 107.977 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 822' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -88.94 153.98 20.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 75.54 110.319 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 178.49 -170.0 41.84 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.525 1.141 . . . . 73.24 111.007 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 824' ' ' GLU . . . . . 0.943 ' HB2' HD13 ' A' ' 829' ' ' ILE . 20.3 tt0 -153.66 159.26 42.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 0.778 . . . . 65.5 110.305 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 825' ' ' ILE . . . . . 0.499 ' N ' ' CG ' ' A' ' 824' ' ' GLU . 2.9 mt -151.74 134.65 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 71.43 109.286 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 826' ' ' TYR . . . . . 0.429 ' CD1' ' N ' ' A' ' 826' ' ' TYR . 10.1 m-30 55.79 17.27 2.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 70.02 111.028 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 90.4 22.3 35.01 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.129 . . . . 74.2 110.975 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . 0.421 ' N ' ' HG3' ' A' ' 824' ' ' GLU . 15.8 mmt-85 -114.74 116.95 29.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 0.776 . . . . 72.42 110.272 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 829' ' ' ILE . . . . . 0.943 HD13 ' HB2' ' A' ' 824' ' ' GLU . 2.8 mm -87.28 152.91 3.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 75.24 109.311 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 171.95 -165.59 38.37 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.48 1.113 . . . . 21.51 111.015 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 831' ' ' TRP . . . . . 0.467 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 55.6 m95 -125.84 165.66 18.28 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.007 -1.108 . . . . 72.11 108.007 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 832' ' ' PHE . . . . . 0.944 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 34.2 p90 -166.64 154.2 8.92 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 75.2 110.98 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 148.36 35.14 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.499 1.789 . . . . 72.51 111.017 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . 0.689 ' HA ' HG22 ' A' ' 837' ' ' VAL . 19.6 p -88.55 3.91 48.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 62.15 109.984 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -95.45 -13.39 24.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 74.45 109.323 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -110.07 -8.13 14.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 75.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . 0.689 HG22 ' HA ' ' A' ' 834' ' ' SER . 23.2 m -117.43 168.2 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 52.31 109.267 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 838' ' ' GLU . . . . . 0.464 ' HG3' ' CG ' ' A' ' 790' ' ' ARG . 5.3 mt-10 -110.79 172.87 6.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 65.15 110.271 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 839' ' ' GLU . . . . . 0.454 ' HG3' ' CZ3' ' A' ' 821' ' ' TRP . 13.1 mm-40 -153.41 139.67 18.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 71.33 110.283 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 21.0 t70 40.44 29.96 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 60.21 109.355 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 841' ' ' TYR . . . . . 0.433 ' N ' ' C ' ' A' ' 839' ' ' GLU . 19.2 p90 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 73.54 111.037 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.988 -0.845 . . . . 54.33 110.988 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 2.8 p -147.92 166.04 28.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 0.754 . . . . 61.03 110.405 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 787' ' ' ALA . . . . . 0.509 ' HB1' ' O ' ' A' ' 838' ' ' GLU . . . -144.86 120.89 10.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 72.13 109.348 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 788' ' ' LYS . . . . . . . . . . . . . 17.5 mtpt -75.32 156.92 35.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 75.15 109.314 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -95.07 126.77 40.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 65.21 109.287 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 790' ' ' ARG . . . . . 0.519 ' C ' ' CD1' ' A' ' 791' ' ' TYR . 5.4 mmm180 -105.17 3.08 29.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 75.35 110.287 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 791' ' ' TYR . . . . . 0.519 ' CD1' ' C ' ' A' ' 790' ' ' ARG . 55.6 m-85 -153.44 130.53 11.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 73.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -67.48 96.74 0.53 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 62.14 109.284 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 793' ' ' PHE . . . . . 0.455 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.1 t80 -84.54 176.15 8.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 75.01 111.038 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 4.4 p -152.24 105.61 3.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 54.2 108.285 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -69.22 130.79 43.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 65.24 109.285 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -101.8 -19.5 15.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.147 . . . . 73.05 110.293 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -143.3 172.92 12.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 73.43 109.295 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -73.08 -11.69 60.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 64.05 110.293 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 74.9 p -84.91 8.65 16.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 55.53 109.978 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -131.56 150.31 52.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 65.31 110.293 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 801' ' ' LEU . . . . . 0.657 HD23 ' H ' ' A' ' 802' ' ' SER . 0.7 OUTLIER -96.06 141.27 29.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 63.05 109.306 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 802' ' ' SER . . . . . 0.657 ' H ' HD23 ' A' ' 801' ' ' LEU . 1.8 m -82.21 95.4 7.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 74.23 110.038 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 803' ' ' LEU . . . . . 0.812 HD11 HG12 ' A' ' 809' ' ' ILE . 1.3 mp -88.69 153.01 21.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 64.23 109.315 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 13.4 tptp -160.28 116.32 2.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 72.52 109.314 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 805' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 791' ' ' TYR . 4.8 mt-10 -39.98 137.25 0.99 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 74.43 110.302 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 84.3 7.13 85.4 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 70.53 111.051 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -113.52 158.68 20.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 74.23 109.284 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 808' ' ' ILE . . . . . 0.776 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -108.5 151.47 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 73.33 109.309 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 809' ' ' ILE . . . . . 0.812 HG12 HD11 ' A' ' 803' ' ' LEU . 1.3 mp -121.83 116.14 48.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 71.32 109.283 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 810' ' ' LYS . . . . . . . . . . . . . 8.0 tptm -73.8 112.7 10.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 72.15 109.279 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 811' ' ' ILE . . . . . 1.017 HG21 ' NZ ' ' A' ' 814' ' ' LYS . 14.7 mm -70.34 122.6 22.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 72.41 109.328 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 812' ' ' LEU . . . . . . . . . . . . . 2.0 mt -116.04 -46.15 2.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 62.31 109.348 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -122.28 151.19 41.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 73.2 109.322 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 814' ' ' LYS . . . . . 1.017 ' NZ ' HG21 ' A' ' 811' ' ' ILE . 2.8 tppt? . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 74.44 109.342 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.973 -0.851 . . . . 73.41 110.973 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 820' ' ' TRP . . . . . 0.456 ' CZ3' ' CG ' ' A' ' 831' ' ' TRP . 1.1 p-90 -142.42 118.49 10.68 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.995 -1.113 . . . . 71.13 107.995 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 821' ' ' TRP . . . . . 0.537 ' CD1' ' HG3' ' A' ' 814' ' ' LYS . 15.4 m0 -91.97 164.66 13.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 72.22 108.023 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 822' ' ' ARG . . . . . 0.568 ' HG3' ' CD1' ' A' ' 831' ' ' TRP . 30.3 ttt180 -121.56 121.79 38.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 75.22 110.304 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -133.97 -149.98 6.13 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.549 1.156 . . . . 71.33 111.012 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 824' ' ' GLU . . . . . 0.927 ' HB2' HD13 ' A' ' 829' ' ' ILE . 18.9 tt0 -163.99 153.44 14.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 0.789 . . . . 75.41 110.287 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 825' ' ' ILE . . . . . 0.653 HD11 ' O ' ' A' ' 808' ' ' ILE . 2.3 mt -145.27 124.45 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 74.33 109.283 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 826' ' ' TYR . . . . . 0.569 ' CE1' HG23 ' A' ' 825' ' ' ILE . 2.8 m-30 60.25 25.77 15.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 75.41 110.966 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 91.07 -5.41 81.66 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.529 1.143 . . . . 61.42 110.982 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 -85.28 114.37 22.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 0.774 . . . . 75.44 110.33 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 829' ' ' ILE . . . . . 0.927 HD13 ' HB2' ' A' ' 824' ' ' GLU . 3.1 mm -87.45 156.04 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 61.32 109.293 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 167.91 -165.98 39.1 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.464 1.102 . . . . 71.1 110.987 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 831' ' ' TRP . . . . . 0.568 ' CD1' ' HG3' ' A' ' 822' ' ' ARG . 21.8 m95 -128.31 -177.88 4.33 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.98 -1.118 . . . . 74.25 107.98 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 832' ' ' PHE . . . . . 0.81 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 29.4 p90 -178.34 154.88 0.93 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 70.12 111.011 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 833' ' ' PRO . . . . . 0.504 ' HG2' ' CG ' ' A' ' 836' ' ' TYR . 18.2 Cg_endo -75.02 148.45 35.23 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.475 1.776 . . . . 74.44 111.037 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 23.6 p -81.77 4.0 23.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 62.43 109.965 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 61.6 m-80 -105.39 0.05 26.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 73.55 109.328 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 836' ' ' TYR . . . . . 0.504 ' CG ' ' HG2' ' A' ' 833' ' ' PRO . 6.4 m-85 -116.16 0.95 13.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 75.22 110.964 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . 0.764 HG21 ' HE2' ' A' ' 832' ' ' PHE . 6.1 m -139.63 169.84 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 60.11 109.318 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 838' ' ' GLU . . . . . 0.509 ' O ' ' HB1' ' A' ' 787' ' ' ALA . 19.8 mt-10 -110.04 174.42 5.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 70.25 110.328 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 839' ' ' GLU . . . . . 0.526 ' HG3' ' CZ3' ' A' ' 821' ' ' TRP . 19.0 mm-40 -149.09 138.38 21.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 73.02 110.316 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 19.9 t0 40.5 29.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 63.05 109.298 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 841' ' ' TYR . . . . . 0.449 ' N ' ' C ' ' A' ' 839' ' ' GLU . 18.4 p90 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 64.01 111.03 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 785' ' ' GLY . . . . . 0.523 ' O ' HG23 ' A' ' 786' ' ' THR . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.024 -0.83 . . . . 71.41 111.024 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 786' ' ' THR . . . . . 0.523 HG23 ' O ' ' A' ' 785' ' ' GLY . 2.4 p -155.03 174.6 14.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 55.22 110.424 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 787' ' ' ALA . . . . . 0.661 ' HB2' HD11 ' A' ' 811' ' ' ILE . . . -144.81 102.99 3.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 74.35 109.289 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 788' ' ' LYS . . . . . . . . . . . . . 34.5 tttt -66.58 128.3 35.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 71.34 109.276 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 789' ' ' ALA . . . . . 0.44 ' HA ' HG12 ' A' ' 837' ' ' VAL . . . -75.15 124.7 27.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 72.42 109.299 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 790' ' ' ARG . . . . . 0.456 ' O ' ' CG ' ' A' ' 791' ' ' TYR . 19.9 mmm180 -98.45 1.26 46.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 74.12 110.273 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 791' ' ' TYR . . . . . 0.456 ' CG ' ' O ' ' A' ' 790' ' ' ARG . 67.4 m-85 -159.55 128.73 5.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 62.34 110.941 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.37 109.88 2.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 65.3 109.316 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 793' ' ' PHE . . . . . 0.557 ' CE2' ' CD ' ' A' ' 800' ' ' GLU . 1.1 t80 -99.12 125.18 44.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 72.03 111.023 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 97.5 m -92.25 113.25 25.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 62.23 108.294 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -72.83 104.21 3.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 70.11 109.306 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -75.15 -25.46 58.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 74.12 110.321 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -131.58 169.72 15.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 64.54 109.261 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 56.6 mtp180 -75.52 -4.35 39.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 73.31 110.317 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 97.2 p -87.97 -12.03 45.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 73.12 109.996 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 800' ' ' GLU . . . . . 0.557 ' CD ' ' CE2' ' A' ' 793' ' ' PHE . 33.4 tt0 -103.01 157.19 17.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 65.52 110.283 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 801' ' ' LEU . . . . . 0.652 HD23 ' H ' ' A' ' 802' ' ' SER . 0.8 OUTLIER -103.81 140.02 38.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 62.1 109.326 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 802' ' ' SER . . . . . 0.652 ' H ' HD23 ' A' ' 801' ' ' LEU . 10.9 t -79.45 112.04 16.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 62.21 109.979 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 803' ' ' LEU . . . . . 0.513 ' HG ' HD11 ' A' ' 809' ' ' ILE . 1.1 mp -107.01 158.87 16.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 74.42 109.269 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -158.41 113.09 2.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 64.35 109.309 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -38.93 133.16 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 62.14 110.295 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 94.76 -14.22 65.73 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.465 1.103 . . . . 40.11 110.977 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -92.76 162.02 14.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 0.737 . . . . 73.55 109.288 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 808' ' ' ILE . . . . . 0.69 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -116.09 136.51 52.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.519 1.137 . . . . 55.23 109.328 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 809' ' ' ILE . . . . . 0.89 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.4 mp -102.19 113.67 39.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 71.42 109.295 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 810' ' ' LYS . . . . . 0.419 ' HD2' ' N ' ' A' ' 811' ' ' ILE . 11.8 tptt -68.31 115.83 8.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 60.02 109.288 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 811' ' ' ILE . . . . . 0.661 HD11 ' HB2' ' A' ' 787' ' ' ALA . 5.3 mm -78.48 136.25 24.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 35.14 109.321 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 812' ' ' LEU . . . . . 0.415 HD21 ' HG3' ' A' ' 810' ' ' LYS . 0.7 OUTLIER -126.97 -46.99 1.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 75.34 109.301 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -135.96 141.28 44.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 73.4 109.325 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 814' ' ' LYS . . . . . 0.524 ' CD ' ' CE2' ' A' ' 821' ' ' TRP . 11.2 mtmm . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 75.31 109.285 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.048 -0.821 . . . . 72.04 111.048 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 820' ' ' TRP . . . . . 0.476 ' CE3' ' HB3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.34 172.81 12.18 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.003 -1.11 . . . . 64.01 108.003 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 821' ' ' TRP . . . . . 0.564 ' CZ3' ' HB2' ' A' ' 834' ' ' SER . 16.9 m0 -128.46 146.07 50.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 75.32 108.053 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 822' ' ' ARG . . . . . 0.503 ' HG3' ' CE2' ' A' ' 831' ' ' TRP . 7.6 ttt180 -99.39 111.23 23.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 73.54 110.264 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -131.18 -154.66 7.93 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.496 1.123 . . . . 43.04 110.962 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 824' ' ' GLU . . . . . 0.926 ' HB2' HD13 ' A' ' 829' ' ' ILE . 0.8 OUTLIER -168.45 149.06 4.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 0.758 . . . . 73.24 110.293 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 825' ' ' ILE . . . . . 0.575 HG23 ' CE1' ' A' ' 826' ' ' TYR . 3.6 mt -140.01 128.31 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 63.1 109.287 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 826' ' ' TYR . . . . . 0.575 ' CE1' HG23 ' A' ' 825' ' ' ILE . 3.5 m-30 60.77 21.89 11.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 75.31 110.992 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 89.71 6.0 70.73 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 74.3 110.995 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . 0.417 ' O ' ' HA ' ' A' ' 824' ' ' GLU . 86.9 mtt180 -97.74 118.09 33.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 0.771 . . . . 73.55 110.305 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 829' ' ' ILE . . . . . 0.926 HD13 ' HB2' ' A' ' 824' ' ' GLU . 2.9 mm -87.41 159.51 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.09 . . . . 71.1 109.302 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 169.64 -179.21 42.23 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 54.11 110.98 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 831' ' ' TRP . . . . . 0.503 ' CE2' ' HG3' ' A' ' 822' ' ' ARG . 80.5 m95 -117.85 150.14 39.68 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.963 -1.125 . . . . 75.52 107.963 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 832' ' ' PHE . . . . . 0.89 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 32.2 p90 -157.02 153.57 24.32 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 74.12 110.985 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 833' ' ' PRO . . . . . 0.409 ' O ' HG22 ' A' ' 837' ' ' VAL . 18.3 Cg_endo -74.97 148.28 35.19 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.462 1.769 . . . . 63.44 111.008 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . 0.564 ' HB2' ' CZ3' ' A' ' 821' ' ' TRP . 60.1 p -86.56 3.91 42.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 73.13 109.999 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -96.43 -11.11 26.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 71.12 109.317 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -107.95 -4.64 17.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 73.43 110.994 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . 0.779 HG21 ' HE2' ' A' ' 832' ' ' PHE . 16.1 m -122.47 -177.35 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 74.42 109.287 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 838' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 787' ' ' ALA . 41.5 mm-40 -121.96 175.99 6.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 75.02 110.281 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 839' ' ' GLU . . . . . 0.453 ' HG3' ' CH2' ' A' ' 821' ' ' TRP . 13.4 mm-40 -150.61 138.08 19.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 73.3 110.318 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 20.0 t0 40.43 29.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 63.1 109.28 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 841' ' ' TYR . . . . . 0.445 ' N ' ' C ' ' A' ' 839' ' ' GLU . 17.0 p90 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 73.4 111.019 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.99 -0.844 . . . . 52.02 110.99 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 786' ' ' THR . . . . . 0.43 HG22 ' HA ' ' A' ' 810' ' ' LYS . 2.8 p -149.91 -179.74 7.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.775 . . . . 61.43 110.423 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 787' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' A' ' 838' ' ' GLU . . . -145.23 114.24 6.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 44.22 109.296 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 788' ' ' LYS . . . . . 0.452 ' HB2' ' CZ ' ' A' ' 841' ' ' TYR . 11.5 tttt -76.28 116.12 16.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 71.13 109.331 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -56.31 123.85 16.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 62.42 109.309 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 790' ' ' ARG . . . . . 0.427 ' C ' ' CG ' ' A' ' 791' ' ' TYR . 21.9 mmm180 -99.74 -6.3 27.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 72.31 110.287 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 791' ' ' TYR . . . . . 0.427 ' CG ' ' C ' ' A' ' 790' ' ' ARG . 68.9 m-85 -157.91 128.42 6.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 74.02 111.032 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 18.0 p-10 -60.67 121.23 11.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 74.25 109.321 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 793' ' ' PHE . . . . . 0.452 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.4 t80 -111.88 113.4 25.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 60.34 111.0 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 25.3 m -81.97 104.53 12.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 63.14 108.301 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 795' ' ' ALA . . . . . 0.481 ' HB1' ' HB3' ' A' ' 800' ' ' GLU . . . -61.33 98.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 31.25 109.278 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 2.8 ptp85 -47.9 -23.91 0.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 64.11 110.297 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 797' ' ' ASP . . . . . 0.428 ' CG ' ' HG ' ' A' ' 799' ' ' SER . 0.5 OUTLIER -155.47 169.09 25.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 53.24 109.302 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.24 -16.87 49.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 72.13 110.269 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 799' ' ' SER . . . . . 0.428 ' HG ' ' CG ' ' A' ' 797' ' ' ASP . 0.8 OUTLIER -71.74 -13.89 61.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 52.41 110.009 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 800' ' ' GLU . . . . . 0.481 ' HB3' ' HB1' ' A' ' 795' ' ' ALA . 1.4 tp10 -110.7 149.48 30.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 65.42 110.271 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 801' ' ' LEU . . . . . 0.644 HD23 ' H ' ' A' ' 802' ' ' SER . 0.8 OUTLIER -84.82 139.45 31.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 75.23 109.302 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 802' ' ' SER . . . . . 0.644 ' H ' HD23 ' A' ' 801' ' ' LEU . 1.0 OUTLIER -86.83 105.83 17.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 71.12 109.987 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 803' ' ' LEU . . . . . 0.452 ' HB2' ' CB ' ' A' ' 793' ' ' PHE . 0.5 OUTLIER -94.79 157.48 15.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 71.12 109.258 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -154.43 111.53 3.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 70.04 109.326 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -38.98 137.77 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 74.42 110.3 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 83.77 8.44 84.41 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.475 1.109 . . . . 72.45 110.982 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -112.4 162.8 15.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 74.52 109.268 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 808' ' ' ILE . . . . . 0.689 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -110.24 146.71 15.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 73.32 109.297 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 809' ' ' ILE . . . . . 0.91 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.5 mp -118.54 116.61 51.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 72.21 109.347 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 810' ' ' LYS . . . . . 0.43 ' HA ' HG22 ' A' ' 786' ' ' THR . 14.2 tptp -75.93 114.21 14.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 74.13 109.322 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 811' ' ' ILE . . . . . 0.413 ' N ' ' HD2' ' A' ' 810' ' ' LYS . 3.3 mm -71.33 128.84 34.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 65.1 109.303 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 812' ' ' LEU . . . . . . . . . . . . . 2.5 mt -120.17 -51.26 2.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 65.2 109.348 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 813' ' ' ASN . . . . . 0.468 ' CB ' ' HB3' ' A' ' 822' ' ' ARG . 2.9 t30 -122.46 156.6 33.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 64.24 109.293 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 814' ' ' LYS . . . . . 0.519 ' HD2' ' CD1' ' A' ' 821' ' ' TRP . 1.5 mmmp? . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 43.42 109.308 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.969 -0.852 . . . . 62.44 110.969 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 820' ' ' TRP . . . . . 0.712 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.37 172.6 12.47 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.01 -1.107 . . . . 64.25 108.01 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 821' ' ' TRP . . . . . 0.593 ' O ' ' CE1' ' A' ' 832' ' ' PHE . 41.0 m0 -130.91 131.39 44.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 73.31 107.982 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 822' ' ' ARG . . . . . 0.468 ' HB3' ' CB ' ' A' ' 813' ' ' ASN . 22.1 ttp180 -87.56 99.92 12.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 75.24 110.294 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -119.0 -159.15 10.95 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.507 1.129 . . . . 34.13 111.011 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 824' ' ' GLU . . . . . 0.92 ' HB2' HD13 ' A' ' 829' ' ' ILE . 19.8 tt0 -161.12 159.14 28.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 0.769 . . . . 63.21 110.304 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 825' ' ' ILE . . . . . 0.649 HD11 ' O ' ' A' ' 808' ' ' ILE . 2.4 mt -151.87 128.84 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 72.23 109.281 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 826' ' ' TYR . . . . . 0.61 ' HD2' HH21 ' A' ' 828' ' ' ARG . 4.8 m-30 58.51 23.93 11.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 55.22 110.985 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 85.67 17.34 62.04 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.468 1.105 . . . . 51.55 110.974 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . 0.61 HH21 ' HD2' ' A' ' 826' ' ' TYR . 18.8 mtm105 -108.96 114.75 28.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 0.761 . . . . 73.24 110.346 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 829' ' ' ILE . . . . . 0.92 HD13 ' HB2' ' A' ' 824' ' ' GLU . 2.7 mm -87.42 157.56 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 72.14 109.275 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 174.07 -169.54 42.57 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.526 1.141 . . . . 74.12 111.0 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 831' ' ' TRP . . . . . 0.712 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 70.6 m95 -126.58 142.32 51.57 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.009 -1.108 . . . . 75.14 108.009 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 832' ' ' PHE . . . . . 0.91 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 38.5 p90 -148.76 150.95 34.34 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 70.42 111.004 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 833' ' ' PRO . . . . . 0.449 ' HG2' ' CD1' ' A' ' 836' ' ' TYR . 18.4 Cg_endo -74.99 147.47 34.03 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.492 1.785 . . . . 73.35 111.018 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . 0.57 ' HB2' ' CH2' ' A' ' 821' ' ' TRP . 7.7 p -84.36 3.89 33.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 71.33 109.966 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -97.51 -9.4 27.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 50.12 109.276 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 836' ' ' TYR . . . . . 0.449 ' CD1' ' HG2' ' A' ' 833' ' ' PRO . 17.2 m-85 -109.97 -0.45 18.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 71.05 111.021 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . 0.794 HG21 ' HE2' ' A' ' 832' ' ' PHE . 10.8 m -126.47 -176.17 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 64.34 109.281 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 838' ' ' GLU . . . . . 0.428 ' O ' ' CB ' ' A' ' 787' ' ' ALA . 7.0 mm-40 -125.89 171.55 10.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 71.22 110.312 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 839' ' ' GLU . . . . . 0.563 ' HG3' ' CH2' ' A' ' 821' ' ' TRP . 14.5 mm-40 -148.23 140.25 24.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 75.45 110.314 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 840' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 839' ' ' GLU . 20.7 t70 40.51 29.84 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 74.32 109.284 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 841' ' ' TYR . . . . . 0.452 ' CZ ' ' HB2' ' A' ' 788' ' ' LYS . 18.5 p90 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.433 1.083 . . . . 74.24 111.002 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 785' ' ' GLY . . . . . 0.675 ' O ' HG23 ' A' ' 786' ' ' THR . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 111.005 -0.838 . . . . 50.34 111.005 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 786' ' ' THR . . . . . 0.675 HG23 ' O ' ' A' ' 785' ' ' GLY . 2.5 p -159.8 178.72 9.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 0.736 . . . . 54.43 110.373 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 787' ' ' ALA . . . . . 0.559 ' HB2' HD11 ' A' ' 811' ' ' ILE . . . -142.5 111.82 6.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 62.41 109.258 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 788' ' ' LYS . . . . . 0.406 ' HB2' ' CZ ' ' A' ' 841' ' ' TYR . 13.2 tttt -79.19 118.32 21.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 74.21 109.298 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -61.15 139.21 58.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 72.23 109.289 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 790' ' ' ARG . . . . . 0.422 ' C ' ' CD1' ' A' ' 791' ' ' TYR . 37.3 mmm-85 -118.31 -2.7 11.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 64.31 110.311 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 791' ' ' TYR . . . . . 0.422 ' CD1' ' C ' ' A' ' 790' ' ' ARG . 22.1 m-85 -143.97 129.38 18.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 73.53 110.985 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -65.09 96.68 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 61.3 109.324 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 793' ' ' PHE . . . . . 0.55 ' CE2' ' OE1' ' A' ' 800' ' ' GLU . 1.1 t80 -83.06 175.04 10.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 74.51 111.04 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 4.3 p -152.35 105.58 3.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 43.33 108.264 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -69.35 132.96 47.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 44.34 109.371 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.53 -18.27 14.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 65.14 110.343 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -144.99 174.19 11.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 64.31 109.287 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -72.26 -14.13 61.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 75.11 110.326 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 2.9 p -84.0 7.92 16.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 71.14 110.002 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 800' ' ' GLU . . . . . 0.55 ' OE1' ' CE2' ' A' ' 793' ' ' PHE . 29.2 tt0 -129.07 142.23 50.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 73.53 110.315 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 801' ' ' LEU . . . . . 0.636 HD23 ' H ' ' A' ' 802' ' ' SER . 0.8 OUTLIER -91.03 139.23 30.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.085 . . . . 64.31 109.297 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 802' ' ' SER . . . . . 0.636 ' H ' HD23 ' A' ' 801' ' ' LEU . 0.9 OUTLIER -80.83 105.17 11.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 42.33 110.025 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 803' ' ' LEU . . . . . 0.824 HD11 HG12 ' A' ' 809' ' ' ILE . 0.4 OUTLIER -99.96 154.35 18.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 72.04 109.308 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 7.3 tptm -157.35 115.45 3.16 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 74.34 109.267 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 805' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 791' ' ' TYR . 4.5 mt-10 -39.29 142.31 0.27 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 74.31 110.318 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 79.26 13.82 82.36 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.519 1.137 . . . . 71.31 110.975 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -120.05 159.37 24.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 0.784 . . . . 75.1 109.321 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 808' ' ' ILE . . . . . 0.774 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -108.68 148.23 12.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 71.43 109.263 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 809' ' ' ILE . . . . . 0.824 HG12 HD11 ' A' ' 803' ' ' LEU . 1.9 mp -120.16 116.42 50.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 73.13 109.305 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 810' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -72.99 113.42 10.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 61.23 109.301 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 811' ' ' ILE . . . . . 0.559 HD11 ' HB2' ' A' ' 787' ' ' ALA . 5.6 mm -70.88 128.52 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 74.22 109.331 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 812' ' ' LEU . . . . . . . . . . . . . 2.8 mt -120.11 -48.59 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 71.32 109.295 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 813' ' ' ASN . . . . . 0.456 ' HB2' ' CZ ' ' A' ' 822' ' ' ARG . 9.0 t-20 -120.33 149.42 42.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 73.44 109.32 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 814' ' ' LYS . . . . . 0.54 ' HD2' ' CD1' ' A' ' 821' ' ' TRP . 1.3 mmmp? . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 74.24 109.281 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.964 -0.854 . . . . 71.14 110.964 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 820' ' ' TRP . . . . . 0.509 ' CZ3' ' CG ' ' A' ' 831' ' ' TRP . 1.1 p-90 -142.84 120.31 11.69 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.006 -1.109 . . . . 74.54 108.006 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 821' ' ' TRP . . . . . 0.54 ' CD1' ' HD2' ' A' ' 814' ' ' LYS . 21.6 m0 -91.61 158.93 16.15 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.958 -1.127 . . . . 71.43 107.958 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 822' ' ' ARG . . . . . 0.566 ' HG3' ' CD1' ' A' ' 831' ' ' TRP . 44.4 ttp180 -117.65 119.6 35.46 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 75.14 110.318 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 823' ' ' GLY . . . . . 0.586 ' C ' HD11 ' A' ' 801' ' ' LEU . . . -136.93 -161.24 8.92 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.529 1.143 . . . . 71.11 110.999 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 824' ' ' GLU . . . . . 0.934 ' HB2' HD13 ' A' ' 829' ' ' ILE . 19.2 tt0 -152.4 158.61 42.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 0.769 . . . . 71.41 110.315 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 825' ' ' ILE . . . . . 0.559 HG22 ' CD2' ' A' ' 826' ' ' TYR . 2.0 mt -150.78 123.33 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 73.33 109.318 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 826' ' ' TYR . . . . . 0.559 ' CD2' HG22 ' A' ' 825' ' ' ILE . 6.7 m-85 60.12 26.79 16.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 73.41 110.956 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 827' ' ' GLY . . . . . 0.402 ' C ' ' OE2' ' A' ' 824' ' ' GLU . . . 89.9 -2.84 82.48 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.476 1.11 . . . . 62.11 110.995 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . 0.406 ' O ' ' HA ' ' A' ' 824' ' ' GLU . 34.1 mtt180 -87.06 111.97 21.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 0.749 . . . . 71.5 110.266 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 829' ' ' ILE . . . . . 0.934 HD13 ' HB2' ' A' ' 824' ' ' GLU . 3.2 mm -87.54 155.92 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 73.42 109.306 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 163.87 -170.67 39.25 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.472 1.108 . . . . 74.41 110.982 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 831' ' ' TRP . . . . . 0.566 ' CD1' ' HG3' ' A' ' 822' ' ' ARG . 14.0 m95 -123.7 -176.06 3.37 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.988 -1.116 . . . . 71.13 107.988 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 832' ' ' PHE . . . . . 0.798 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 34.9 p90 -178.36 160.93 1.18 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 53.24 110.99 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 833' ' ' PRO . . . . . 0.506 ' HG2' ' CG ' ' A' ' 836' ' ' TYR . 18.2 Cg_endo -75.03 148.59 35.37 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.475 1.776 . . . . 72.22 111.005 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 5.0 p -81.32 3.92 22.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 55.33 110.011 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -105.48 -0.04 26.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 72.15 109.267 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 836' ' ' TYR . . . . . 0.506 ' CG ' ' HG2' ' A' ' 833' ' ' PRO . 6.8 m-85 -116.34 8.46 14.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 70.53 111.011 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . 0.74 HG21 ' CE2' ' A' ' 832' ' ' PHE . 6.6 m -151.65 163.91 2.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 72.43 109.301 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 838' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -135.93 129.74 32.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 71.02 110.294 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 839' ' ' GLU . . . . . 0.402 ' C ' ' CD ' ' A' ' 839' ' ' GLU . 0.1 OUTLIER -120.16 169.02 10.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 63.55 110.253 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 16.8 t0 54.87 28.71 10.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 64.21 109.326 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 841' ' ' TYR . . . . . 0.406 ' CZ ' ' HB2' ' A' ' 788' ' ' LYS . 37.1 p90 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 74.44 111.013 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 785' ' ' GLY . . . . . 0.524 ' O ' HG23 ' A' ' 786' ' ' THR . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.0 -0.84 . . . . 74.11 111.0 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 786' ' ' THR . . . . . 0.524 HG23 ' O ' ' A' ' 785' ' ' GLY . 2.4 p -154.78 172.83 17.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 0.767 . . . . 65.34 110.448 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 787' ' ' ALA . . . . . 0.745 ' HB2' HD11 ' A' ' 811' ' ' ILE . . . -146.28 104.52 3.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 63.2 109.315 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 788' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 838' ' ' GLU . 36.2 tttt -65.38 132.63 49.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 52.53 109.288 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 789' ' ' ALA . . . . . 0.451 ' HB2' ' CD1' ' A' ' 809' ' ' ILE . . . -77.34 127.36 32.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 72.13 109.281 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 790' ' ' ARG . . . . . 0.475 ' C ' ' CG ' ' A' ' 791' ' ' TYR . 17.7 mmm180 -99.56 -2.32 36.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 63.33 110.286 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 791' ' ' TYR . . . . . 0.475 ' CG ' ' C ' ' A' ' 790' ' ' ARG . 51.0 m-85 -159.17 128.73 5.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 74.41 111.008 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 19.2 p-10 -64.88 115.89 5.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 71.43 109.311 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 793' ' ' PHE . . . . . 0.464 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.1 t80 -104.85 125.4 50.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 75.43 110.981 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 5.0 t -92.72 103.48 15.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 62.4 108.275 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -61.25 105.59 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 74.43 109.292 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 4.5 ptm85 -56.56 -21.36 25.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 73.44 110.342 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -157.01 -178.92 7.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 70.24 109.312 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 7.5 tpt85 -72.3 -6.01 40.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 70.53 110.3 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 2.4 p -80.24 -11.63 59.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 75.24 109.962 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -117.72 150.41 39.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 74.44 110.318 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 801' ' ' LEU . . . . . 0.639 HD23 ' H ' ' A' ' 802' ' ' SER . 0.8 OUTLIER -88.69 139.63 30.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 74.24 109.295 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 802' ' ' SER . . . . . 0.639 ' H ' HD23 ' A' ' 801' ' ' LEU . 1.3 t -81.73 108.29 15.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.158 . . . . 55.53 109.999 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 803' ' ' LEU . . . . . 0.563 HD11 HG12 ' A' ' 809' ' ' ILE . 0.8 OUTLIER -97.0 157.63 15.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 74.1 109.321 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 804' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 805' ' ' GLU . 8.1 tmtt? -156.87 110.86 2.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 74.21 109.284 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 805' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 804' ' ' LYS . 10.3 mt-10 -38.85 134.27 1.01 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 53.44 110.257 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 92.16 -9.33 76.56 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.477 1.111 . . . . 64.03 111.018 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -96.8 163.65 12.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 73.42 109.314 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 808' ' ' ILE . . . . . 0.664 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -116.09 135.67 55.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 65.34 109.221 -179.933 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 809' ' ' ILE . . . . . 0.906 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.3 mp -102.23 113.81 39.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 72.4 109.256 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 810' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 811' ' ' ILE . 11.7 tptt -66.54 114.88 5.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 72.11 109.331 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 811' ' ' ILE . . . . . 0.745 HD11 ' HB2' ' A' ' 787' ' ' ALA . 3.8 mm -78.38 131.76 33.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 62.33 109.296 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 812' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.97 -43.98 2.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 72.45 109.296 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -133.12 145.49 50.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 73.13 109.299 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 814' ' ' LYS . . . . . 0.586 ' HA ' ' CD1' ' A' ' 821' ' ' TRP . 13.3 mtmt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 73.31 109.326 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.033 -0.827 . . . . 61.23 111.033 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 820' ' ' TRP . . . . . 0.732 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.37 172.89 12.07 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.012 -1.107 . . . . 64.14 108.012 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 821' ' ' TRP . . . . . 0.586 ' CD1' ' HA ' ' A' ' 814' ' ' LYS . 12.0 m0 -130.3 140.58 50.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 71.14 108.016 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 822' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -89.12 127.33 35.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 71.22 110.29 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -151.56 -166.1 13.61 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.525 1.141 . . . . 72.23 111.004 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 824' ' ' GLU . . . . . 0.913 ' HB2' HD13 ' A' ' 829' ' ' ILE . 19.9 tt0 -157.8 159.44 36.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 0.768 . . . . 72.52 110.276 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 825' ' ' ILE . . . . . 0.563 HG22 ' CD2' ' A' ' 826' ' ' TYR . 2.8 mt -151.88 133.8 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 72.21 109.272 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 826' ' ' TYR . . . . . 0.563 ' CD2' HG22 ' A' ' 825' ' ' ILE . 19.0 m-85 56.69 16.78 2.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 75.4 111.011 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 91.31 20.66 37.62 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.455 1.097 . . . . 52.5 110.968 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . 0.418 ' N ' ' HG3' ' A' ' 824' ' ' GLU . 6.1 mmt85 -113.2 116.8 30.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 0.793 . . . . 74.44 110.278 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 829' ' ' ILE . . . . . 0.913 HD13 ' HB2' ' A' ' 824' ' ' GLU . 2.6 mm -87.19 152.7 3.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 74.2 109.314 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 177.95 -163.93 32.48 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.467 1.104 . . . . 53.53 110.965 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 831' ' ' TRP . . . . . 0.732 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 64.1 m95 -129.67 165.9 20.88 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.014 -1.106 . . . . 73.15 108.014 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 832' ' ' PHE . . . . . 0.906 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 29.8 p90 -174.1 154.14 2.12 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 73.24 110.966 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 833' ' ' PRO . . . . . 0.4 ' HG2' ' CD1' ' A' ' 836' ' ' TYR . 18.4 Cg_endo -75.04 147.57 33.95 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.494 1.786 . . . . 52.34 111.004 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . 0.562 ' HB2' ' CZ3' ' A' ' 821' ' ' TRP . 23.4 p -82.2 3.56 26.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 62.41 110.023 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -100.38 -6.28 25.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 74.4 109.283 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 836' ' ' TYR . . . . . 0.4 ' CD1' ' HG2' ' A' ' 833' ' ' PRO . 5.7 m-85 -108.25 -6.23 16.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 75.01 111.03 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . 0.713 HG21 ' HE2' ' A' ' 832' ' ' PHE . 16.1 m -122.74 176.54 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 64.12 109.362 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 838' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 788' ' ' LYS . 7.3 mt-10 -111.01 178.65 4.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 64.15 110.3 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 839' ' ' GLU . . . . . 0.436 ' C ' ' N ' ' A' ' 841' ' ' TYR . 19.5 mp0 -151.42 131.2 13.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 72.14 110.294 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 42.4 t0 40.98 29.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 73.15 109.292 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 841' ' ' TYR . . . . . 0.436 ' N ' ' C ' ' A' ' 839' ' ' GLU . 9.8 p90 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 63.03 111.057 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 785' ' ' GLY . . . . . 0.532 ' O ' HG23 ' A' ' 786' ' ' THR . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.001 -0.84 . . . . 43.32 111.001 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 786' ' ' THR . . . . . 0.532 HG23 ' O ' ' A' ' 785' ' ' GLY . 3.1 p -155.38 170.31 22.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 0.792 . . . . 64.25 110.443 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 787' ' ' ALA . . . . . 0.842 ' HB2' HD11 ' A' ' 811' ' ' ILE . . . -145.51 105.0 3.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 54.33 109.328 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 788' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 838' ' ' GLU . 12.7 tttt -68.32 122.76 19.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 72.32 109.29 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 789' ' ' ALA . . . . . 0.478 ' HB2' ' CD1' ' A' ' 809' ' ' ILE . . . -71.82 138.3 48.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 74.35 109.306 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 790' ' ' ARG . . . . . 0.415 ' C ' ' CG ' ' A' ' 791' ' ' TYR . 6.3 mmp_? -107.59 -2.84 19.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.087 . . . . 74.32 110.31 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 791' ' ' TYR . . . . . 0.425 ' CA ' ' HG3' ' A' ' 805' ' ' GLU . 67.9 m-85 -156.66 128.44 7.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 71.15 111.022 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -64.28 123.19 18.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 74.41 109.272 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 793' ' ' PHE . . . . . 0.464 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.1 t80 -111.05 113.27 25.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.15 . . . . 74.52 111.017 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 14.6 t -81.97 107.22 14.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 63.3 108.278 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 795' ' ' ALA . . . . . 0.437 ' HB1' ' HB3' ' A' ' 800' ' ' GLU . . . -68.83 138.67 54.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 44.22 109.319 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.52 -12.08 12.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 74.34 110.296 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -140.17 155.37 46.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 74.54 109.294 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 798' ' ' ARG . . . . . 0.419 ' N ' ' HD3' ' A' ' 798' ' ' ARG . 0.0 OUTLIER -63.57 -12.45 32.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 74.11 110.273 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 88.5 p -86.77 7.87 25.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 65.35 110.021 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 800' ' ' GLU . . . . . 0.437 ' HB3' ' HB1' ' A' ' 795' ' ' ALA . 1.7 tp10 -122.87 151.91 41.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 74.5 110.277 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 801' ' ' LEU . . . . . 0.626 HD23 ' H ' ' A' ' 802' ' ' SER . 0.9 OUTLIER -101.9 138.39 38.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 74.14 109.35 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 802' ' ' SER . . . . . 0.626 ' H ' HD23 ' A' ' 801' ' ' LEU . 1.0 OUTLIER -80.47 106.44 12.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 62.43 109.98 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 803' ' ' LEU . . . . . 0.464 ' HB2' ' CB ' ' A' ' 793' ' ' PHE . 0.9 OUTLIER -95.37 156.73 16.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 61.33 109.325 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -155.12 111.56 3.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 61.3 109.309 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 805' ' ' GLU . . . . . 0.425 ' HG3' ' CA ' ' A' ' 791' ' ' TYR . 5.6 mt-10 -38.91 136.53 0.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 71.33 110.321 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 85.86 5.31 83.94 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.462 1.101 . . . . 54.1 111.022 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -108.53 165.24 11.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.765 . . . . 74.11 109.296 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 808' ' ' ILE . . . . . 0.684 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -116.29 138.2 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 61.34 109.322 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 809' ' ' ILE . . . . . 0.926 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.4 mp -107.77 114.77 47.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 75.24 109.309 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 810' ' ' LYS . . . . . 0.405 ' HD2' ' N ' ' A' ' 811' ' ' ILE . 22.1 tptt -68.9 113.41 6.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 74.01 109.266 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 811' ' ' ILE . . . . . 0.842 HD11 ' HB2' ' A' ' 787' ' ' ALA . 3.0 mm -72.89 121.69 24.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 60.43 109.321 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 812' ' ' LEU . . . . . 0.458 HD12 ' CA ' ' A' ' 823' ' ' GLY . 1.4 mt -112.74 -48.98 2.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 63.12 109.299 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -121.82 152.03 39.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 75.2 109.336 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 814' ' ' LYS . . . . . 0.548 ' HA ' ' CD1' ' A' ' 821' ' ' TRP . 8.7 mtmt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 73.32 109.292 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.03 -0.828 . . . . 61.33 111.03 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 820' ' ' TRP . . . . . 0.693 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.38 172.7 12.33 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.01 -1.108 . . . . 75.13 108.01 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 821' ' ' TRP . . . . . 0.549 ' O ' ' CE1' ' A' ' 832' ' ' PHE . 11.1 m0 -133.03 139.18 47.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 75.42 107.984 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 822' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -81.78 141.71 33.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 74.35 110.278 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 823' ' ' GLY . . . . . 0.458 ' CA ' HD12 ' A' ' 812' ' ' LEU . . . -166.2 -164.24 21.35 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.472 1.107 . . . . 71.41 111.021 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 824' ' ' GLU . . . . . 0.952 ' HB2' HD13 ' A' ' 829' ' ' ILE . 19.6 tt0 -161.23 159.12 28.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 0.748 . . . . 74.44 110.34 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 825' ' ' ILE . . . . . 0.565 HG22 ' CD2' ' A' ' 826' ' ' TYR . 2.9 mt -151.94 135.21 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 64.22 109.319 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 826' ' ' TYR . . . . . 0.565 ' CD2' HG22 ' A' ' 825' ' ' ILE . 22.1 m-85 56.07 16.93 2.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 73.24 110.994 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 90.52 22.04 35.52 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.49 1.119 . . . . 62.3 111.018 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . 0.416 ' N ' ' HG3' ' A' ' 824' ' ' GLU . 13.1 mmt-85 -114.94 117.78 31.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 0.773 . . . . 63.34 110.332 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 829' ' ' ILE . . . . . 0.952 HD13 ' HB2' ' A' ' 824' ' ' GLU . 2.9 mm -87.25 152.4 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 72.12 109.281 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 177.16 -164.53 33.92 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 51.34 110.992 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 831' ' ' TRP . . . . . 0.693 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 56.4 m95 -129.21 157.2 42.51 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.001 -1.111 . . . . 74.41 108.001 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 832' ' ' PHE . . . . . 0.926 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 31.8 p90 -161.81 153.25 15.59 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 74.1 111.007 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 147.95 34.65 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.522 1.801 . . . . 72.22 111.026 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . 0.514 ' OG ' ' CZ3' ' A' ' 821' ' ' TRP . 30.3 t -85.16 3.44 39.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 73.12 109.989 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -96.97 -7.88 31.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 60.45 109.321 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -111.87 -9.6 14.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 64.42 110.978 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . 0.836 HG21 ' HE2' ' A' ' 832' ' ' PHE . 15.6 m -122.18 161.68 22.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 74.11 109.283 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 838' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 788' ' ' LYS . 47.3 mm-40 -134.0 123.66 24.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.093 . . . . 75.04 110.303 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 839' ' ' GLU . . . . . 0.485 ' OE2' ' CH2' ' A' ' 821' ' ' TRP . 1.3 pt-20 -113.55 -179.6 3.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 72.31 110.271 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 58.6 t0 41.19 51.59 3.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 51.35 109.307 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 841' ' ' TYR . . . . . . . . . . . . . 19.9 p90 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 74.24 110.989 -179.981 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.954 -0.859 . . . . 74.1 110.954 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 786' ' ' THR . . . . . 0.475 HG22 ' HA ' ' A' ' 810' ' ' LYS . 2.9 p -133.56 172.59 12.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 0.758 . . . . 74.54 110.38 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 787' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 838' ' ' GLU . . . -134.7 106.53 6.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 70.35 109.28 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 788' ' ' LYS . . . . . 0.559 ' HB2' ' CE2' ' A' ' 841' ' ' TYR . 8.4 tttt -68.49 121.88 17.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 42.52 109.3 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -72.06 128.41 35.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 64.2 109.301 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 790' ' ' ARG . . . . . 0.482 ' HB2' ' CE2' ' A' ' 791' ' ' TYR . 16.0 mmm180 -97.8 -4.77 36.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 75.25 110.268 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 791' ' ' TYR . . . . . 0.482 ' CE2' ' HB2' ' A' ' 790' ' ' ARG . 26.3 m-85 -154.62 129.01 9.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 72.54 110.994 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -64.01 123.22 18.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 64.53 109.303 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 793' ' ' PHE . . . . . 0.465 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.1 t80 -111.34 114.06 26.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 75.22 110.97 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 33.8 m -80.08 125.2 29.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 72.33 108.31 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -86.63 140.1 30.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 62.12 109.331 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.91 -9.91 11.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 75.24 110.333 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -154.8 166.22 34.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 75.44 109.32 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 1.3 ptp85 -65.4 -13.2 58.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 70.33 110.318 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 93.4 p -83.83 7.78 16.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 71.34 109.999 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -128.06 152.91 47.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 60.0 110.312 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 801' ' ' LEU . . . . . 0.449 HD23 ' N ' ' A' ' 802' ' ' SER . 1.0 OUTLIER -107.39 135.11 49.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 50.03 109.308 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 802' ' ' SER . . . . . 0.449 ' N ' HD23 ' A' ' 801' ' ' LEU . 0.9 OUTLIER -79.03 105.68 10.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 52.14 109.99 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 803' ' ' LEU . . . . . 0.532 ' HG ' HD11 ' A' ' 809' ' ' ILE . 1.7 mp -97.51 161.83 13.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 75.14 109.295 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -158.09 110.7 2.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 64.2 109.309 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -38.79 133.82 1.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 74.13 110.31 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 90.59 -2.36 80.29 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.534 1.146 . . . . 42.13 110.997 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -100.24 165.61 11.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 0.763 . . . . 72.43 109.281 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 808' ' ' ILE . . . . . 0.591 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -117.23 141.27 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 63.21 109.287 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 809' ' ' ILE . . . . . 0.963 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.7 mp -106.34 114.59 45.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 73.35 109.291 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 810' ' ' LYS . . . . . 0.475 ' HA ' HG22 ' A' ' 786' ' ' THR . 15.2 tptt -75.01 115.12 14.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 63.13 109.275 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 811' ' ' ILE . . . . . 0.469 ' CG2' ' HB2' ' A' ' 814' ' ' LYS . 2.8 mm -72.33 139.04 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 73.13 109.278 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 812' ' ' LEU . . . . . 0.464 HD21 ' HG3' ' A' ' 810' ' ' LYS . 0.7 OUTLIER -132.53 -55.53 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 74.12 109.274 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -83.64 -76.52 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 74.12 109.326 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 814' ' ' LYS . . . . . 0.592 ' HA ' ' CD1' ' A' ' 821' ' ' TRP . 6.2 tmtt? . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 72.41 109.283 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.988 -0.845 . . . . 73.25 110.988 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 820' ' ' TRP . . . . . 0.736 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.4 172.75 12.26 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.96 -1.126 . . . . 74.23 107.96 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 821' ' ' TRP . . . . . 0.596 ' O ' ' CD1' ' A' ' 832' ' ' PHE . 14.0 m0 -126.72 138.94 53.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 73.05 107.975 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 822' ' ' ARG . . . . . 0.519 ' HG3' ' CE2' ' A' ' 831' ' ' TRP . 5.5 ttt180 -98.06 93.63 6.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 61.33 110.339 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -116.33 -156.86 10.88 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.55 1.156 . . . . 51.24 111.013 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 824' ' ' GLU . . . . . 0.897 ' HB2' HD13 ' A' ' 829' ' ' ILE . 0.5 OUTLIER -160.14 150.78 18.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 0.781 . . . . 63.31 110.293 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 825' ' ' ILE . . . . . 0.484 ' CD1' ' O ' ' A' ' 808' ' ' ILE . 3.3 mt -140.0 128.79 26.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 75.15 109.312 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 826' ' ' TYR . . . . . 0.582 ' HD2' HH21 ' A' ' 828' ' ' ARG . 4.8 m-30 58.63 23.0 10.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 74.04 110.963 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 87.76 12.93 65.72 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.475 1.109 . . . . 61.31 110.979 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . 0.582 HH21 ' HD2' ' A' ' 826' ' ' TYR . 65.0 mtm180 -104.41 117.04 33.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 0.756 . . . . 75.41 110.305 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 829' ' ' ILE . . . . . 0.897 HD13 ' HB2' ' A' ' 824' ' ' GLU . 2.5 mm -87.32 157.34 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 71.14 109.283 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 830' ' ' GLY . . . . . 0.405 ' CA ' ' HG ' ' A' ' 801' ' ' LEU . . . 169.33 -177.24 43.06 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.468 1.105 . . . . 64.0 110.96 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 831' ' ' TRP . . . . . 0.736 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 75.5 m95 -114.52 146.74 40.35 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.962 -1.125 . . . . 61.43 107.962 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 832' ' ' PHE . . . . . 0.963 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 32.5 p90 -152.19 151.29 27.35 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 73.55 111.0 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 147.48 34.07 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.51 1.795 . . . . 53.2 110.977 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . 0.486 ' HA ' HG22 ' A' ' 837' ' ' VAL . 23.3 p -87.17 -5.26 59.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 52.12 110.029 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -94.31 1.76 55.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 71.22 109.299 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -118.8 -8.0 10.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 65.44 111.028 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . 0.845 HG21 ' HE2' ' A' ' 832' ' ' PHE . 31.0 m -117.68 174.89 3.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 71.43 109.303 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 838' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 788' ' ' LYS . 14.1 mt-10 -109.76 178.11 4.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 75.43 110.314 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 839' ' ' GLU . . . . . 0.437 ' C ' ' N ' ' A' ' 841' ' ' TYR . 6.9 mp0 -151.55 128.34 10.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 74.14 110.311 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 34.3 t70 42.18 28.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 60.23 109.334 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 841' ' ' TYR . . . . . 0.559 ' CE2' ' HB2' ' A' ' 788' ' ' LYS . 4.1 p90 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.112 . . . . 53.42 111.024 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.984 -0.847 . . . . 71.44 110.984 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 2.3 p -150.44 167.59 26.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 0.756 . . . . 72.1 110.379 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 787' ' ' ALA . . . . . 0.525 ' HB1' ' O ' ' A' ' 838' ' ' GLU . . . -136.34 118.71 15.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 44.34 109.309 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 788' ' ' LYS . . . . . . . . . . . . . 10.6 tttt -78.39 119.98 22.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 73.51 109.305 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 789' ' ' ALA . . . . . 0.464 ' HB2' ' CD1' ' A' ' 809' ' ' ILE . . . -65.27 136.69 56.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 74.24 109.285 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 790' ' ' ARG . . . . . 0.596 ' C ' ' CD1' ' A' ' 791' ' ' TYR . 40.3 mmm-85 -117.28 7.35 12.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.085 . . . . 75.42 110.336 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 791' ' ' TYR . . . . . 0.596 ' CD1' ' C ' ' A' ' 790' ' ' ARG . 31.8 m-85 -151.61 138.17 18.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 53.42 111.002 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -73.92 117.17 15.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 73.25 109.324 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 793' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -126.55 113.7 17.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 75.23 110.963 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 81.2 m -84.37 143.05 29.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 73.34 108.308 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -99.37 101.86 13.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 70.44 109.306 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 8.6 mmt85 -50.7 -27.77 7.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 64.21 110.304 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -157.07 -176.75 6.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 74.42 109.341 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -69.2 -7.42 36.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 73.12 110.272 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 3.3 p -74.25 -18.56 60.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.457 1.098 . . . . 74.32 110.007 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -115.17 149.77 37.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 70.42 110.278 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 801' ' ' LEU . . . . . 0.643 HD23 ' N ' ' A' ' 802' ' ' SER . 1.0 OUTLIER -84.37 132.94 34.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 73.32 109.321 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 802' ' ' SER . . . . . 0.643 ' N ' HD23 ' A' ' 801' ' ' LEU . 0.1 OUTLIER -71.16 99.85 1.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 74.03 110.003 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 803' ' ' LEU . . . . . 0.525 HD21 ' CG1' ' A' ' 837' ' ' VAL . 2.0 tp -96.12 146.62 24.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 51.12 109.286 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.51 109.88 2.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 60.4 109.3 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 805' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 791' ' ' TYR . 3.2 mt-10 -39.63 145.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 74.44 110.26 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 81.41 17.66 70.74 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.515 1.134 . . . . 75.21 111.012 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -129.73 164.95 22.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.777 . . . . 45.0 109.329 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 808' ' ' ILE . . . . . 0.765 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -108.7 152.82 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 73.42 109.318 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 809' ' ' ILE . . . . . 0.872 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.3 mp -118.38 115.24 47.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 63.4 109.275 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 810' ' ' LYS . . . . . . . . . . . . . 25.4 tptt -75.1 112.92 11.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 72.0 109.343 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 811' ' ' ILE . . . . . . . . . . . . . 2.9 mm -71.99 119.21 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 52.03 109.282 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 812' ' ' LEU . . . . . 0.826 ' CB ' HH21 ' A' ' 822' ' ' ARG . 1.2 mt -111.95 -51.58 2.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 74.15 109.323 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 813' ' ' ASN . . . . . 0.47 ' CB ' ' HB3' ' A' ' 822' ' ' ARG . 0.4 OUTLIER -121.36 141.11 51.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 73.44 109.256 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 814' ' ' LYS . . . . . 0.523 ' HG3' ' CD1' ' A' ' 821' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 54.25 109.32 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.996 -0.841 . . . . 64.4 110.996 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 820' ' ' TRP . . . . . 0.711 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.42 172.32 12.86 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.027 -1.101 . . . . 73.13 108.027 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 821' ' ' TRP . . . . . 0.595 ' O ' ' CE1' ' A' ' 832' ' ' PHE . 17.8 m0 -132.35 136.34 46.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 73.43 107.983 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 822' ' ' ARG . . . . . 0.826 HH21 ' CB ' ' A' ' 812' ' ' LEU . 8.6 ttp180 -84.5 118.88 24.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 70.3 110.307 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -140.43 -159.4 7.93 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.571 1.17 . . . . 71.4 111.027 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 824' ' ' GLU . . . . . 0.932 ' HB2' HD13 ' A' ' 829' ' ' ILE . 20.7 tt0 -158.36 159.43 35.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.77 . . . . 71.53 110.319 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 825' ' ' ILE . . . . . 0.489 ' N ' ' CG ' ' A' ' 824' ' ' GLU . 2.3 mt -152.18 130.55 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 72.33 109.308 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 55.4 26.84 9.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 74.41 110.98 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 83.27 18.58 64.3 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.468 1.105 . . . . 74.5 110.99 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 824' ' ' GLU . 59.9 mtt180 -109.33 113.18 25.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 0.761 . . . . 65.31 110.304 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 829' ' ' ILE . . . . . 0.932 HD13 ' HB2' ' A' ' 824' ' ' GLU . 2.6 mm -87.38 158.53 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 73.44 109.315 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 164.79 -160.61 33.84 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.501 1.125 . . . . 74.01 110.964 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 831' ' ' TRP . . . . . 0.711 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 49.5 m95 -127.63 144.83 51.04 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.999 -1.111 . . . . 74.51 107.999 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 832' ' ' PHE . . . . . 0.872 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 38.1 p90 -144.0 148.47 42.12 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 74.14 111.015 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 833' ' ' PRO . . . . . 0.511 ' HG2' ' CD1' ' A' ' 836' ' ' TYR . 18.4 Cg_endo -75.0 147.66 34.21 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.532 1.806 . . . . 71.32 110.995 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . 0.559 ' HB2' ' CZ3' ' A' ' 821' ' ' TRP . 79.1 p -82.83 3.82 27.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 71.14 110.007 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -95.38 -15.1 23.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 73.34 109.328 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 836' ' ' TYR . . . . . 0.511 ' CD1' ' HG2' ' A' ' 833' ' ' PRO . 7.9 m-85 -114.36 30.42 7.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 75.21 110.991 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . 0.72 HG21 ' HE2' ' A' ' 832' ' ' PHE . 26.8 m -155.2 161.45 2.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 74.22 109.309 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 838' ' ' GLU . . . . . 0.525 ' O ' ' HB1' ' A' ' 787' ' ' ALA . 12.6 mt-10 -100.83 179.37 4.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 71.53 110.319 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 839' ' ' GLU . . . . . 0.601 ' OE2' HG23 ' A' ' 837' ' ' VAL . 19.2 mp0 -154.79 129.89 9.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 72.25 110.303 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 33.5 t70 41.64 29.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 50.24 109.319 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 841' ' ' TYR . . . . . 0.434 ' N ' ' C ' ' A' ' 839' ' ' GLU . 8.2 p90 . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.453 1.096 . . . . 71.43 110.961 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 785' ' ' GLY . . . . . 0.509 ' O ' HG23 ' A' ' 786' ' ' THR . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.011 -0.836 . . . . 70.43 111.011 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 786' ' ' THR . . . . . 0.509 HG23 ' O ' ' A' ' 785' ' ' GLY . 2.5 p -154.46 174.08 15.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 0.762 . . . . 71.01 110.373 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 787' ' ' ALA . . . . . 0.696 ' HB2' HD11 ' A' ' 811' ' ' ILE . . . -144.49 105.32 4.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 31.12 109.289 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 788' ' ' LYS . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 841' ' ' TYR . 12.4 tttt -69.36 117.01 10.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 64.12 109.337 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 789' ' ' ALA . . . . . 0.537 ' HB2' ' CD1' ' A' ' 809' ' ' ILE . . . -63.5 133.38 53.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 62.22 109.327 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 790' ' ' ARG . . . . . 0.548 ' C ' ' CD1' ' A' ' 791' ' ' TYR . 32.0 mmm-85 -107.04 -1.43 22.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 75.33 110.314 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 791' ' ' TYR . . . . . 0.548 ' CD1' ' C ' ' A' ' 790' ' ' ARG . 62.2 m-85 -159.53 128.46 5.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 72.13 110.993 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -61.97 116.17 4.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 54.53 109.269 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 793' ' ' PHE . . . . . 0.425 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.2 t80 -107.84 114.08 27.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 72.42 110.975 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 41.4 t -81.38 108.68 15.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 70.23 108.296 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -69.94 104.13 2.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 44.11 109.296 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 11.1 ptt180 -56.51 -19.91 17.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 74.55 110.264 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -163.41 171.94 15.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 63.23 109.241 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -15.97 16.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 73.42 110.312 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 1.7 p -70.38 -7.58 44.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 73.51 110.024 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -125.49 150.02 47.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 73.45 110.312 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 801' ' ' LEU . . . . . 0.626 HD23 ' H ' ' A' ' 802' ' ' SER . 0.9 OUTLIER -88.52 138.06 31.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 61.03 109.331 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 802' ' ' SER . . . . . 0.626 ' H ' HD23 ' A' ' 801' ' ' LEU . 3.7 p -81.46 101.35 9.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 72.12 109.997 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 803' ' ' LEU . . . . . 0.597 HD11 HG12 ' A' ' 809' ' ' ILE . 0.5 OUTLIER -92.92 157.17 16.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 64.12 109.328 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 804' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 805' ' ' GLU . 7.7 tmtm? -156.63 111.24 2.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.472 1.108 . . . . 72.31 109.356 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 805' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 804' ' ' LYS . 7.6 mt-10 -38.86 133.42 1.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 74.31 110.292 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 90.43 -3.14 81.69 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.493 1.121 . . . . 42.12 110.964 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -104.45 159.74 15.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.777 . . . . 64.3 109.309 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 808' ' ' ILE . . . . . 0.723 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -110.64 139.99 31.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 64.4 109.32 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 809' ' ' ILE . . . . . 0.846 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.5 mp -105.61 113.83 43.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 62.54 109.263 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 810' ' ' LYS . . . . . 0.47 ' HG3' HD21 ' A' ' 812' ' ' LEU . 15.8 tptp -68.36 114.38 6.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 60.12 109.34 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 811' ' ' ILE . . . . . 0.696 HD11 ' HB2' ' A' ' 787' ' ' ALA . 3.5 mm -75.94 137.97 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 53.04 109.278 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 812' ' ' LEU . . . . . 0.47 HD21 ' HG3' ' A' ' 810' ' ' LYS . 2.1 mt -128.68 -48.0 1.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 61.01 109.295 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -134.36 141.1 46.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 52.03 109.32 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 814' ' ' LYS . . . . . 0.53 ' HE3' HG21 ' A' ' 811' ' ' ILE . 38.2 mttt . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 62.53 109.303 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.979 -0.848 . . . . 63.14 110.979 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 820' ' ' TRP . . . . . 0.729 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.35 172.69 12.35 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.999 -1.111 . . . . 74.44 107.999 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 821' ' ' TRP . . . . . 0.557 ' CE3' ' HB2' ' A' ' 834' ' ' SER . 20.9 m0 -126.34 138.19 53.55 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.986 -1.116 . . . . 71.21 107.986 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 822' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -95.77 105.43 17.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 75.34 110.263 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -126.31 -154.53 8.67 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 73.22 110.96 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 824' ' ' GLU . . . . . 0.876 ' HB2' HD13 ' A' ' 829' ' ' ILE . 19.9 tt0 -164.14 159.1 19.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 0.75 . . . . 74.14 110.32 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 825' ' ' ILE . . . . . 0.519 HD11 ' O ' ' A' ' 808' ' ' ILE . 3.2 mt -151.19 129.87 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 74.54 109.298 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 9.0 m-30 57.85 21.86 8.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 73.52 110.973 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 88.13 15.69 60.42 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.467 1.104 . . . . 73.3 111.019 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . 0.413 ' O ' ' HA ' ' A' ' 824' ' ' GLU . 34.2 mtt85 -107.28 115.35 30.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.756 . . . . 71.44 110.269 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 829' ' ' ILE . . . . . 0.876 HD13 ' HB2' ' A' ' 824' ' ' GLU . 2.7 mm -87.34 156.2 3.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 64.31 109.294 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 174.0 -169.89 42.96 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 61.05 110.967 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 831' ' ' TRP . . . . . 0.729 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 60.7 m95 -127.2 145.78 50.64 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.018 -1.104 . . . . 75.15 108.018 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 832' ' ' PHE . . . . . 0.846 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 31.0 p90 -150.44 151.18 30.58 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 74.43 110.993 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 147.59 33.92 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.506 1.793 . . . . 74.12 110.972 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . 0.637 ' HA ' HG22 ' A' ' 837' ' ' VAL . 3.1 t -84.23 3.89 33.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 42.21 110.028 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -95.57 -12.46 25.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 72.11 109.319 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -110.24 -5.25 15.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 73.14 110.988 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . 0.817 HG21 ' HE2' ' A' ' 832' ' ' PHE . 21.0 m -121.88 179.3 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 72.42 109.291 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 838' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 788' ' ' LYS . 78.1 mt-10 -151.45 126.12 9.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 74.25 110.34 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 839' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 840' ' ' ASP . 0.0 OUTLIER -117.37 175.23 5.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 63.12 110.278 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 840' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 839' ' ' GLU . 46.7 t0 40.48 36.21 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 54.52 109.307 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 841' ' ' TYR . . . . . 0.519 ' CZ ' ' HB2' ' A' ' 788' ' ' LYS . 38.9 p90 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 73.53 111.004 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 785' ' ' GLY . . . . . 0.623 ' O ' HG23 ' A' ' 786' ' ' THR . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 110.983 -0.847 . . . . 53.42 110.983 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 786' ' ' THR . . . . . 0.623 HG23 ' O ' ' A' ' 785' ' ' GLY . 3.2 p -158.12 169.88 23.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 0.777 . . . . 54.15 110.411 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 787' ' ' ALA . . . . . 0.527 ' HB1' ' O ' ' A' ' 838' ' ' GLU . . . -142.19 122.81 14.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 64.43 109.288 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 788' ' ' LYS . . . . . . . . . . . . . 13.8 mtpt -70.81 165.8 22.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 75.02 109.332 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -106.2 116.88 32.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 63.23 109.322 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 790' ' ' ARG . . . . . 0.549 ' HB2' ' CE1' ' A' ' 791' ' ' TYR . 13.3 mmt180 -97.07 0.73 49.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 71.12 110.288 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 791' ' ' TYR . . . . . 0.549 ' CE1' ' HB2' ' A' ' 790' ' ' ARG . 27.4 m-85 -152.0 139.44 19.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 71.45 111.011 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -79.38 112.64 16.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 71.32 109.279 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 793' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -110.41 113.87 26.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 64.22 110.964 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 2.9 t -95.85 95.78 8.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 71.11 108.283 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 795' ' ' ALA . . . . . 0.47 ' HB1' ' HB3' ' A' ' 800' ' ' GLU . . . -43.21 133.58 3.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 73.55 109.327 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.4 -15.2 21.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.579 1.175 . . . . 72.12 110.306 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -141.89 174.5 10.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 71.24 109.297 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -81.63 3.48 25.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 71.53 110.32 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 97.3 p -102.71 8.52 39.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 61.24 110.004 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 800' ' ' GLU . . . . . 0.47 ' HB3' ' HB1' ' A' ' 795' ' ' ALA . 2.6 tp10 -121.1 148.64 43.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 63.52 110.296 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 801' ' ' LEU . . . . . 0.641 HD23 ' H ' ' A' ' 802' ' ' SER . 0.9 OUTLIER -85.68 137.86 32.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 73.41 109.245 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 802' ' ' SER . . . . . 0.641 ' H ' HD23 ' A' ' 801' ' ' LEU . 0.2 OUTLIER -77.68 97.85 5.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 73.13 110.003 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 803' ' ' LEU . . . . . 0.75 HD21 ' CG1' ' A' ' 837' ' ' VAL . 1.0 OUTLIER -93.12 153.41 18.68 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.464 1.102 . . . . 73.43 109.289 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 8.4 mtmm -163.4 120.78 1.86 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 72.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -44.83 147.74 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 75.03 110.338 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 75.93 21.39 76.44 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.451 1.094 . . . . 32.33 111.033 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -128.94 163.06 26.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.745 . . . . 75.24 109.279 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 808' ' ' ILE . . . . . 0.765 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -110.31 152.62 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 65.23 109.293 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 809' ' ' ILE . . . . . 0.849 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.2 mp -123.72 116.9 49.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 74.43 109.318 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 810' ' ' LYS . . . . . 0.415 ' HD2' ' N ' ' A' ' 811' ' ' ILE . 5.9 tptm -75.79 115.9 15.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 73.22 109.322 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 811' ' ' ILE . . . . . 0.415 ' N ' ' HD2' ' A' ' 810' ' ' LYS . 2.8 mm -74.6 116.12 16.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 65.21 109.318 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 812' ' ' LEU . . . . . 0.414 ' CD2' ' HG3' ' A' ' 810' ' ' LYS . 0.9 OUTLIER -107.66 -49.89 3.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 74.21 109.296 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 813' ' ' ASN . . . . . 0.45 HD22 ' N ' ' A' ' 814' ' ' LYS . 0.1 OUTLIER -128.5 136.58 50.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 62.12 109.299 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 814' ' ' LYS . . . . . 0.45 ' N ' HD22 ' A' ' 813' ' ' ASN . 14.4 ttpp . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 74.02 109.291 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.977 -0.849 . . . . 33.12 110.977 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 820' ' ' TRP . . . . . 0.743 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.4 OUTLIER -142.35 172.16 13.06 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.022 -1.103 . . . . 73.25 108.022 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 821' ' ' TRP . . . . . 0.555 ' CH2' ' HB2' ' A' ' 834' ' ' SER . 45.4 m0 -127.53 136.49 51.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 75.33 108.019 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 822' ' ' ARG . . . . . 0.417 ' HB3' ' CB ' ' A' ' 813' ' ' ASN . 5.9 tmm_? -87.92 102.37 14.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 72.34 110.297 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -121.99 -158.1 10.21 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.498 1.124 . . . . 44.21 110.99 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 824' ' ' GLU . . . . . 0.879 ' HB2' HD13 ' A' ' 829' ' ' ILE . 0.5 OUTLIER -165.66 149.61 8.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 0.787 . . . . 51.33 110.314 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 825' ' ' ILE . . . . . 0.573 HG22 ' CD2' ' A' ' 826' ' ' TYR . 2.7 mt -139.08 127.67 28.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 72.45 109.267 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 826' ' ' TYR . . . . . 0.573 ' CD2' HG22 ' A' ' 825' ' ' ILE . 3.8 m-30 61.39 16.73 7.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 74.32 111.011 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 98.5 -8.76 62.31 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.515 1.134 . . . . 73.02 111.0 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.21 118.24 23.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 0.738 . . . . 74.53 110.259 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 829' ' ' ILE . . . . . 0.879 HD13 ' HB2' ' A' ' 824' ' ' GLU . 2.5 mm -88.46 158.4 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 74.41 109.295 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 172.83 -165.37 37.71 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.49 1.119 . . . . 50.13 110.962 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 831' ' ' TRP . . . . . 0.743 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 63.3 m95 -127.77 150.36 49.84 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.995 -1.113 . . . . 73.24 107.995 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 832' ' ' PHE . . . . . 0.849 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 46.7 p90 -155.67 153.22 25.83 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 74.2 110.98 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 833' ' ' PRO . . . . . 0.493 ' HG2' ' CG ' ' A' ' 836' ' ' TYR . 18.4 Cg_endo -74.98 146.61 32.92 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.498 1.789 . . . . 72.44 111.028 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . 0.555 ' HB2' ' CH2' ' A' ' 821' ' ' TRP . 6.9 p -82.4 3.31 28.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 74.22 110.064 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -103.98 0.37 29.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 71.03 109.333 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 836' ' ' TYR . . . . . 0.493 ' CG ' ' HG2' ' A' ' 833' ' ' PRO . 10.4 m-85 -117.21 17.99 14.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 75.21 111.044 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . 0.75 ' CG1' HD21 ' A' ' 803' ' ' LEU . 24.8 m -151.14 157.3 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 74.22 109.308 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 838' ' ' GLU . . . . . 0.527 ' O ' ' HB1' ' A' ' 787' ' ' ALA . 12.1 mt-10 -87.04 179.85 6.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 70.34 110.33 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 31.9 mp0 -154.96 129.96 9.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 75.23 110.284 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 30.7 t70 43.63 31.31 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 74.34 109.315 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 841' ' ' TYR . . . . . . . . . . . . . 20.4 p90 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 74.33 111.036 179.947 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.976 -0.85 . . . . 71.42 110.976 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 2.4 p -150.66 172.25 15.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 0.784 . . . . 63.33 110.372 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -143.55 117.7 9.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 54.4 109.312 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 788' ' ' LYS . . . . . 0.556 ' HB2' ' CE2' ' A' ' 841' ' ' TYR . 10.2 tttt -76.7 121.39 23.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 70.13 109.304 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 789' ' ' ALA . . . . . 0.524 ' HB2' ' CD1' ' A' ' 809' ' ' ILE . . . -64.81 134.45 54.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 75.41 109.297 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 790' ' ' ARG . . . . . 0.481 ' C ' ' CD1' ' A' ' 791' ' ' TYR . 10.3 mmt85 -115.97 0.27 13.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 62.31 110.359 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 791' ' ' TYR . . . . . 0.494 ' CD1' ' HA ' ' A' ' 836' ' ' TYR . 25.9 m-85 -144.15 137.8 27.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 75.32 111.019 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -75.38 119.56 19.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 75.31 109.309 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 793' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -128.76 113.9 15.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 63.24 110.99 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 21.4 t -85.39 139.11 31.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 74.12 108.318 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -93.18 98.58 11.38 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 64.01 109.3 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 16.9 mmt-85 -51.27 -24.92 4.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 73.25 110.285 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -151.21 178.57 9.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 75.33 109.318 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 44.2 mtp180 -73.02 -4.01 29.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 74.1 110.334 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 10.9 p -79.69 -20.64 46.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 71.12 110.012 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -105.12 149.97 25.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 64.33 110.288 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 801' ' ' LEU . . . . . 0.67 HD23 ' N ' ' A' ' 802' ' ' SER . 1.0 OUTLIER -84.42 132.63 34.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 63.52 109.284 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 802' ' ' SER . . . . . 0.67 ' N ' HD23 ' A' ' 801' ' ' LEU . 0.1 OUTLIER -71.67 100.8 2.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 71.15 110.012 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 803' ' ' LEU . . . . . 0.507 HD21 ' CG1' ' A' ' 837' ' ' VAL . 2.3 tp -97.48 146.51 25.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 55.44 109.298 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.89 111.7 2.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 73.41 109.279 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 805' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 791' ' ' TYR . 3.0 mt-10 -39.7 146.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 63.22 110.277 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 77.4 19.57 76.26 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.53 1.144 . . . . 41.1 111.031 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -126.74 163.82 22.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 0.739 . . . . 64.4 109.297 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 808' ' ' ILE . . . . . 0.765 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -108.65 148.01 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 71.23 109.293 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 809' ' ' ILE . . . . . 0.858 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.2 mp -118.83 116.29 50.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 71.25 109.261 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 810' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -75.27 113.69 12.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 63.23 109.246 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 811' ' ' ILE . . . . . . . . . . . . . 2.9 mm -72.77 113.91 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 71.31 109.264 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 812' ' ' LEU . . . . . 0.497 HD12 ' HA2' ' A' ' 823' ' ' GLY . 0.8 OUTLIER -105.07 -48.68 3.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 73.44 109.299 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -130.94 140.28 50.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 73.25 109.276 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 814' ' ' LYS . . . . . . . . . . . . . 15.9 ttpp . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.531 1.145 . . . . 72.22 109.241 -179.975 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.969 -0.852 . . . . 61.51 110.969 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 820' ' ' TRP . . . . . 0.737 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.4 OUTLIER -142.35 172.54 12.55 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.015 -1.105 . . . . 75.42 108.015 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 821' ' ' TRP . . . . . 0.56 ' O ' ' CD1' ' A' ' 832' ' ' PHE . 40.0 m0 -128.89 136.39 50.36 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.978 -1.119 . . . . 74.41 107.978 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 822' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -86.78 109.24 19.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 75.13 110.294 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 823' ' ' GLY . . . . . 0.497 ' HA2' HD12 ' A' ' 812' ' ' LEU . . . -137.77 -175.66 14.01 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.449 1.093 . . . . 44.44 111.031 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 824' ' ' GLU . . . . . 0.832 ' HB3' HD13 ' A' ' 829' ' ' ILE . 0.8 OUTLIER -141.24 167.46 22.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 0.744 . . . . 73.53 110.306 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 825' ' ' ILE . . . . . 0.465 HD11 ' CD1' ' A' ' 809' ' ' ILE . 1.9 mt -156.91 122.12 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 74.43 109.337 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 826' ' ' TYR . . . . . 0.471 ' CD1' ' N ' ' A' ' 826' ' ' TYR . 5.4 m-30 58.44 23.92 11.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 70.4 111.02 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 90.44 10.23 63.96 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.509 1.131 . . . . 55.43 110.976 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . 0.404 ' O ' ' HA ' ' A' ' 824' ' ' GLU . 80.7 mtt-85 -99.74 111.45 23.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 0.765 . . . . 71.42 110.313 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 829' ' ' ILE . . . . . 0.832 HD13 ' HB3' ' A' ' 824' ' ' GLU . 4.8 mm -90.49 155.14 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 71.33 109.299 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 168.66 -160.26 33.69 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.495 1.122 . . . . 70.03 111.003 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 831' ' ' TRP . . . . . 0.737 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 61.7 m95 -128.19 147.7 50.58 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.987 -1.116 . . . . 72.25 107.987 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 832' ' ' PHE . . . . . 0.858 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 32.0 p90 -150.18 151.02 30.9 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 74.24 111.011 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 148.32 35.41 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.514 1.797 . . . . 61.35 111.01 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . 0.551 ' HB2' ' CH2' ' A' ' 821' ' ' TRP . 15.1 p -84.19 3.94 32.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 75.33 110.019 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -96.4 -11.82 25.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 70.4 109.253 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 836' ' ' TYR . . . . . 0.494 ' HA ' ' CD1' ' A' ' 791' ' ' TYR . 5.9 m-85 -113.7 27.55 9.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 73.51 110.993 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . 0.808 HG21 ' HE2' ' A' ' 832' ' ' PHE . 25.3 m -154.39 163.25 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 75.2 109.272 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 838' ' ' GLU . . . . . 0.42 ' HG2' ' CG ' ' A' ' 790' ' ' ARG . 59.6 mm-40 -135.23 123.99 23.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 74.45 110.345 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -113.25 155.19 25.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 64.14 110.293 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 46.8 t0 57.13 51.37 10.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 70.02 109.322 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 841' ' ' TYR . . . . . 0.556 ' CE2' ' HB2' ' A' ' 788' ' ' LYS . 28.8 p90 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 64.21 110.959 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 785' ' ' GLY . . . . . 0.457 ' O ' HG23 ' A' ' 786' ' ' THR . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 110.998 -0.841 . . . . 65.02 110.998 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 786' ' ' THR . . . . . 0.457 HG23 ' O ' ' A' ' 785' ' ' GLY . 3.2 p -153.24 170.49 20.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 0.741 . . . . 74.1 110.382 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 787' ' ' ALA . . . . . 0.715 ' CB ' HD11 ' A' ' 811' ' ' ILE . . . -144.96 107.48 4.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 71.21 109.282 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 788' ' ' LYS . . . . . 0.504 ' HB2' ' CZ ' ' A' ' 841' ' ' TYR . 36.7 tttt -66.71 130.92 44.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 73.15 109.299 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 789' ' ' ALA . . . . . 0.461 ' HB2' ' CD1' ' A' ' 809' ' ' ILE . . . -77.47 133.72 38.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 71.1 109.325 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 790' ' ' ARG . . . . . 0.495 ' C ' ' CG ' ' A' ' 791' ' ' TYR . 17.9 mmm180 -104.23 -0.12 28.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 74.15 110.281 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 791' ' ' TYR . . . . . 0.495 ' CG ' ' C ' ' A' ' 790' ' ' ARG . 32.2 m-85 -159.35 128.93 5.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 72.23 111.003 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -65.77 108.99 2.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 75.22 109.316 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 793' ' ' PHE . . . . . 0.452 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.2 t80 -98.54 123.03 42.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 75.12 111.009 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 58.5 m -87.65 124.27 33.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 62.22 108.27 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -88.19 125.49 34.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 75.44 109.293 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -98.32 -24.81 15.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 74.04 110.331 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -139.3 172.63 12.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 75.04 109.326 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -68.57 -8.54 42.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 73.22 110.259 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 60.5 p -88.89 16.35 7.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 73.51 109.98 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 800' ' ' GLU . . . . . 0.422 ' CD ' ' CE2' ' A' ' 793' ' ' PHE . 11.4 tt0 -139.79 145.88 38.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 75.42 110.293 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 801' ' ' LEU . . . . . 0.619 HD23 ' H ' ' A' ' 802' ' ' SER . 0.9 OUTLIER -101.77 136.61 41.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 73.31 109.312 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 802' ' ' SER . . . . . 0.619 ' H ' HD23 ' A' ' 801' ' ' LEU . 4.1 m -76.58 100.97 5.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 50.31 109.97 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 803' ' ' LEU . . . . . 0.493 HD11 HG12 ' A' ' 809' ' ' ILE . 0.6 OUTLIER -94.21 157.11 16.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 65.44 109.262 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 804' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 805' ' ' GLU . 0.4 OUTLIER -156.28 111.41 2.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 72.21 109.283 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 805' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 804' ' ' LYS . 5.0 mt-10 -38.91 135.0 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 54.23 110.31 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 91.47 -8.06 79.36 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.528 1.142 . . . . 72.12 110.977 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -99.8 159.28 15.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 0.789 . . . . 61.32 109.285 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 808' ' ' ILE . . . . . 0.767 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -110.36 138.03 40.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 70.34 109.287 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 809' ' ' ILE . . . . . 0.89 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.3 mp -107.17 114.87 47.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 63.41 109.29 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 810' ' ' LYS . . . . . 0.447 ' HG3' ' CD2' ' A' ' 812' ' ' LEU . 5.1 tptm -68.18 113.63 5.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 64.33 109.288 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 811' ' ' ILE . . . . . 0.715 HD11 ' CB ' ' A' ' 787' ' ' ALA . 4.3 mm -76.76 110.02 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 42.13 109.289 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 812' ' ' LEU . . . . . 0.447 ' CD2' ' HG3' ' A' ' 810' ' ' LYS . 1.3 mt -100.16 -38.08 8.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 62.03 109.288 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -141.89 140.13 32.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 41.21 109.311 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 814' ' ' LYS . . . . . 0.415 ' HG3' ' NE1' ' A' ' 821' ' ' TRP . 11.6 ttpp . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 71.44 109.29 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.966 -0.854 . . . . 53.21 110.966 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 820' ' ' TRP . . . . . 0.494 ' CE3' ' HB3' ' A' ' 831' ' ' TRP . 0.3 OUTLIER -142.34 171.44 14.05 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.974 -1.121 . . . . 73.33 107.974 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 821' ' ' TRP . . . . . 0.55 ' CH2' ' HB2' ' A' ' 834' ' ' SER . 50.3 m0 -124.49 143.25 50.76 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.955 -1.128 . . . . 75.14 107.955 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 822' ' ' ARG . . . . . 0.508 ' HG3' ' CE2' ' A' ' 831' ' ' TRP . 1.9 ttt180 -95.76 102.57 14.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 74.24 110.329 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -126.18 -165.87 12.11 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 74.32 111.009 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 824' ' ' GLU . . . . . 0.878 ' HB2' HD13 ' A' ' 829' ' ' ILE . 18.6 tt0 -156.65 158.8 37.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 0.738 . . . . 73.33 110.329 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 825' ' ' ILE . . . . . 0.49 ' N ' ' CG ' ' A' ' 824' ' ' GLU . 3.1 mt -148.22 128.18 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 75.12 109.314 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 56.96 23.1 7.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 65.21 110.974 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 88.54 14.71 61.19 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.494 1.121 . . . . 54.41 110.989 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . 0.48 ' CD ' ' O ' ' A' ' 825' ' ' ILE . 2.8 mpt_? -105.45 114.14 28.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.583 0.814 . . . . 74.2 110.303 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 829' ' ' ILE . . . . . 0.878 HD13 ' HB2' ' A' ' 824' ' ' GLU . 2.5 mm -87.39 153.44 3.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 72.32 109.296 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 176.43 -178.36 47.78 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.529 1.143 . . . . 51.43 111.006 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 831' ' ' TRP . . . . . 0.508 ' CE2' ' HG3' ' A' ' 822' ' ' ARG . 81.7 m95 -118.72 144.2 46.39 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.997 -1.112 . . . . 72.24 107.997 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 832' ' ' PHE . . . . . 0.89 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 35.3 p90 -151.73 151.76 29.03 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 75.22 111.034 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 148.11 34.62 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.474 1.776 . . . . 65.53 110.944 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . 0.55 ' HB2' ' CH2' ' A' ' 821' ' ' TRP . 52.0 p -83.79 3.92 31.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 75.23 109.98 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -96.33 -10.03 28.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 70.31 109.263 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -109.88 -1.68 17.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 53.3 111.0 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . 0.815 HG21 ' HE2' ' A' ' 832' ' ' PHE . 33.0 m -126.38 173.69 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 62.41 109.314 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 838' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 788' ' ' LYS . 61.0 mm-40 -144.4 123.64 12.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 71.04 110.284 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.13 168.38 9.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 72.4 110.342 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 23.4 t0 40.42 46.48 2.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 73.02 109.319 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 841' ' ' TYR . . . . . 0.504 ' CZ ' ' HB2' ' A' ' 788' ' ' LYS . 37.0 p90 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 74.4 111.035 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.021 -0.832 . . . . 70.41 111.021 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 3.6 p -141.6 -178.24 5.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 0.782 . . . . 64.12 110.446 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 787' ' ' ALA . . . . . 0.59 ' HB2' HD11 ' A' ' 811' ' ' ILE . . . -148.39 110.62 4.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 71.4 109.308 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 788' ' ' LYS . . . . . 0.57 ' HB2' ' CE2' ' A' ' 841' ' ' TYR . 10.2 tttt -79.91 120.41 24.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 62.14 109.298 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 789' ' ' ALA . . . . . 0.686 ' HA ' HG12 ' A' ' 837' ' ' VAL . . . -64.87 135.33 55.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 50.31 109.294 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 790' ' ' ARG . . . . . 0.423 ' CG ' ' CD ' ' A' ' 838' ' ' GLU . 4.2 mmm180 -107.84 -6.66 16.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 74.41 110.265 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 791' ' ' TYR . . . . . 0.448 ' CA ' ' HG3' ' A' ' 805' ' ' GLU . 76.9 m-85 -141.71 135.54 29.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 75.11 111.005 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -68.2 98.41 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 71.43 109.279 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 793' ' ' PHE . . . . . 0.45 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.1 t80 -83.75 178.09 8.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 72.44 111.013 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 3.8 t -152.27 111.13 3.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 53.23 108.343 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -80.4 139.32 36.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 73.24 109.26 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 796' ' ' ARG . . . . . 0.465 ' CZ ' ' HB2' ' A' ' 797' ' ' ASP . 0.0 OUTLIER -117.15 -7.6 11.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 70.53 110.309 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 797' ' ' ASP . . . . . 0.465 ' HB2' ' CZ ' ' A' ' 796' ' ' ARG . 25.4 t70 -154.22 163.81 39.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 62.2 109.286 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 36.3 ptt-85 -64.96 -18.53 65.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 75.24 110.268 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 52.1 p -73.94 -8.42 56.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 72.42 110.007 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -118.16 151.66 37.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 74.2 110.317 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 801' ' ' LEU . . . . . 0.637 HD11 ' N ' ' A' ' 824' ' ' GLU . 0.8 OUTLIER -101.1 138.47 38.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 73.05 109.313 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 802' ' ' SER . . . . . 0.635 ' H ' HD23 ' A' ' 801' ' ' LEU . 0.4 OUTLIER -77.93 104.24 8.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 74.43 110.003 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 803' ' ' LEU . . . . . 0.849 HD11 HG12 ' A' ' 809' ' ' ILE . 2.2 mp -101.14 151.27 22.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 63.33 109.278 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -156.8 118.63 3.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 74.1 109.265 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 805' ' ' GLU . . . . . 0.448 ' HG3' ' CA ' ' A' ' 791' ' ' TYR . 4.8 mt-10 -39.15 135.3 0.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 72.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 85.5 4.93 85.33 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.528 1.143 . . . . 73.33 111.0 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -107.62 158.06 17.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 0.768 . . . . 73.43 109.277 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 808' ' ' ILE . . . . . 0.731 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -109.85 147.09 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 72.14 109.328 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 809' ' ' ILE . . . . . 0.894 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.6 mp -118.63 115.97 49.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 55.04 109.274 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 810' ' ' LYS . . . . . . . . . . . . . 6.8 tptm -71.87 112.07 7.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 73.5 109.319 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 811' ' ' ILE . . . . . 0.59 HD11 ' HB2' ' A' ' 787' ' ' ALA . 15.8 mm -70.35 121.05 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 72.13 109.306 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 812' ' ' LEU . . . . . . . . . . . . . 2.2 mt -113.09 -48.02 3.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 72.24 109.28 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -124.28 151.25 44.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 74.1 109.258 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 814' ' ' LYS . . . . . 0.565 ' HA ' ' CD1' ' A' ' 821' ' ' TRP . 9.5 mttm . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 75.54 109.359 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.988 -0.845 . . . . 63.15 110.988 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 820' ' ' TRP . . . . . 0.587 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.34 172.56 12.53 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.987 -1.116 . . . . 75.51 107.987 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 821' ' ' TRP . . . . . 0.565 ' CD1' ' HA ' ' A' ' 814' ' ' LYS . 11.9 m0 -131.41 144.69 51.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 74.31 107.99 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 822' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -90.23 132.56 35.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 71.31 110.335 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -152.23 -155.51 7.08 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.558 1.161 . . . . 63.03 111.028 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 824' ' ' GLU . . . . . 0.916 ' HB2' HD13 ' A' ' 829' ' ' ILE . 18.2 tt0 -167.45 156.79 10.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 0.746 . . . . 52.34 110.292 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 825' ' ' ILE . . . . . 0.578 HG23 ' CE1' ' A' ' 826' ' ' TYR . 2.3 mt -147.39 124.13 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 65.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 826' ' ' TYR . . . . . 0.578 ' CE1' HG23 ' A' ' 825' ' ' ILE . 3.2 m-30 61.72 19.16 10.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 75.14 110.985 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 96.73 -2.98 62.61 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.52 1.138 . . . . 73.24 111.043 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . 0.462 ' CD ' ' HB2' ' A' ' 826' ' ' TYR . 1.8 mpt_? -88.35 115.31 25.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.742 . . . . 74.4 110.287 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 829' ' ' ILE . . . . . 0.916 HD13 ' HB2' ' A' ' 824' ' ' GLU . 2.9 mm -87.42 155.01 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 55.42 109.332 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 173.15 -163.56 35.2 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.499 1.124 . . . . 74.41 111.006 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 831' ' ' TRP . . . . . 0.587 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 43.3 m95 -128.97 170.67 13.17 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.039 -1.097 . . . . 75.21 108.039 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 832' ' ' PHE . . . . . 0.894 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 29.0 p90 -175.14 152.3 1.44 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.125 . . . . 71.1 111.011 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 146.79 33.17 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.779 . . . . 62.42 111.01 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 11.1 p -85.0 3.86 36.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 71.01 110.003 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -100.59 -3.83 29.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 51.14 109.282 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -110.8 -4.81 15.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.117 . . . . 74.41 111.023 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . 0.775 HG21 ' HE2' ' A' ' 832' ' ' PHE . 29.1 m -128.63 166.32 26.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 60.33 109.293 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 838' ' ' GLU . . . . . 0.423 ' CD ' ' CG ' ' A' ' 790' ' ' ARG . 33.2 mt-10 -111.54 133.18 54.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 71.42 110.317 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 839' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 841' ' ' TYR . 0.3 OUTLIER -109.84 142.53 41.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 74.35 110.317 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 840' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 839' ' ' GLU . 23.7 t0 40.0 29.87 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 70.21 109.308 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 841' ' ' TYR . . . . . 0.57 ' CE2' ' HB2' ' A' ' 788' ' ' LYS . 2.1 p90 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 71.23 111.015 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 110.967 -0.853 . . . . 62.31 110.967 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 2.6 p -138.27 -179.06 5.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 0.787 . . . . 73.14 110.407 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 787' ' ' ALA . . . . . 0.554 ' HB2' HD11 ' A' ' 811' ' ' ILE . . . -150.34 104.71 3.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 73.45 109.294 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 788' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -74.31 114.08 12.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 74.14 109.335 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -58.99 126.78 29.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 64.44 109.309 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 790' ' ' ARG . . . . . 0.443 ' C ' ' CD1' ' A' ' 791' ' ' TYR . 14.0 mmt180 -107.01 -3.1 20.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 75.22 110.355 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 791' ' ' TYR . . . . . 0.443 ' CD1' ' C ' ' A' ' 790' ' ' ARG . 75.9 m-85 -153.33 128.26 9.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 73.22 111.022 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 792' ' ' ASP . . . . . 0.404 ' OD2' ' N ' ' A' ' 792' ' ' ASP . 16.7 p-10 -64.77 109.86 2.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 71.34 109.32 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 793' ' ' PHE . . . . . 0.558 ' CZ ' ' HG3' ' A' ' 833' ' ' PRO . 4.5 t80 -102.94 132.02 49.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 73.31 110.997 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 34.6 m -88.09 127.64 35.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 73.22 108.316 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 795' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 796' ' ' ARG . . . -82.2 103.43 11.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 64.45 109.303 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 796' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 795' ' ' ALA . 12.1 ptm180 -38.94 -34.89 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 72.52 110.352 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -157.06 174.69 15.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 71.33 109.286 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 4.2 tpt85 -59.09 -25.95 64.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 72.32 110.322 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.94 -21.58 64.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 61.23 109.995 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -97.25 146.21 25.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 63.22 110.304 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 801' ' ' LEU . . . . . 0.507 HD13 ' N ' ' A' ' 830' ' ' GLY . 4.0 tp -84.31 133.03 34.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.153 . . . . 71.41 109.318 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 9.4 t -94.98 122.32 37.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 73.52 110.008 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 803' ' ' LEU . . . . . 0.452 ' HB2' ' CB ' ' A' ' 793' ' ' PHE . 0.2 OUTLIER -96.08 160.48 14.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 63.53 109.277 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 804' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 805' ' ' GLU . 0.6 OUTLIER -157.34 110.62 2.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 73.23 109.317 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 805' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 791' ' ' TYR . 4.6 mt-10 -38.86 136.63 0.74 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 72.44 110.304 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 86.34 6.06 81.65 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.496 1.123 . . . . 44.52 111.01 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -109.43 157.16 19.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 0.787 . . . . 75.44 109.228 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 808' ' ' ILE . . . . . 0.771 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -109.58 138.73 35.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.528 1.142 . . . . 64.55 109.284 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 809' ' ' ILE . . . . . 0.88 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 2.1 mp -116.13 117.23 54.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.425 1.078 . . . . 41.31 109.315 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 810' ' ' LYS . . . . . . . . . . . . . 5.3 tptm -76.23 114.21 14.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 73.21 109.261 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 811' ' ' ILE . . . . . 0.554 HD11 ' HB2' ' A' ' 787' ' ' ALA . 2.9 mm -70.2 124.36 26.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 71.4 109.333 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 812' ' ' LEU . . . . . 0.482 HD12 ' CA ' ' A' ' 823' ' ' GLY . 1.4 mt -116.23 -43.66 2.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 75.43 109.278 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -132.78 157.81 44.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 55.03 109.315 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 814' ' ' LYS . . . . . 0.415 ' HD3' ' NE1' ' A' ' 821' ' ' TRP . 13.6 mttt . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 74.12 109.292 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.066 0 N-CA-C 111.004 -0.838 . . . . 72.15 111.004 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 820' ' ' TRP . . . . . 0.542 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.47 172.05 13.22 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.021 -1.103 . . . . 74.14 108.021 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 821' ' ' TRP . . . . . 0.559 ' CZ3' ' HB2' ' A' ' 834' ' ' SER . 40.4 m0 -131.42 132.54 44.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 70.24 108.03 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 822' ' ' ARG . . . . . 0.496 ' HG3' ' CE2' ' A' ' 831' ' ' TRP . 27.3 ttt180 -90.36 113.15 24.98 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 63.24 110.269 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 823' ' ' GLY . . . . . 0.482 ' CA ' HD12 ' A' ' 812' ' ' LEU . . . -132.51 -151.54 6.76 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.493 1.121 . . . . 63.33 111.03 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 824' ' ' GLU . . . . . 0.866 ' HB2' HD13 ' A' ' 829' ' ' ILE . 15.6 tt0 -164.23 156.87 17.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 0.736 . . . . 55.13 110.319 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 825' ' ' ILE . . . . . 0.537 HG22 ' CD2' ' A' ' 826' ' ' TYR . 2.0 mt -152.86 128.19 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 54.21 109.291 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 826' ' ' TYR . . . . . 0.537 ' CD2' HG22 ' A' ' 825' ' ' ILE . 4.3 m-30 60.73 22.48 12.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 73.1 110.956 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 89.29 4.94 73.37 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.517 1.136 . . . . 75.34 111.018 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . 0.435 ' O ' ' HA ' ' A' ' 824' ' ' GLU . 65.8 mtt-85 -95.85 119.04 33.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 0.772 . . . . 71.25 110.311 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 829' ' ' ILE . . . . . 0.866 HD13 ' HB2' ' A' ' 824' ' ' GLU . 2.6 mm -92.75 159.2 2.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 74.11 109.293 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 830' ' ' GLY . . . . . 0.507 ' N ' HD13 ' A' ' 801' ' ' LEU . . . 164.77 -158.7 31.56 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.481 1.113 . . . . 64.31 110.994 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 831' ' ' TRP . . . . . 0.542 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 52.1 m95 -130.26 174.78 9.5 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.983 -1.117 . . . . 73.33 107.983 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 832' ' ' PHE . . . . . 0.88 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 41.0 p90 -178.33 154.43 0.91 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 75.33 110.996 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 833' ' ' PRO . . . . . 0.558 ' HG3' ' CZ ' ' A' ' 793' ' ' PHE . 18.5 Cg_endo -74.93 146.19 32.65 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.519 1.8 . . . . 55.5 111.009 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . 0.745 ' HA ' HG22 ' A' ' 837' ' ' VAL . 54.3 p -83.75 -8.74 59.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 71.24 110.028 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . 0.41 ' N ' ' OD1' ' A' ' 835' ' ' ASN . 0.7 OUTLIER -77.88 -13.9 59.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 64.13 109.326 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 836' ' ' TYR . . . . . 0.46 ' C ' HG13 ' A' ' 837' ' ' VAL . 15.9 m-85 -114.68 25.39 11.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 75.13 111.024 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . 0.745 HG22 ' HA ' ' A' ' 834' ' ' SER . 13.9 m -153.95 168.24 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 73.04 109.28 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 838' ' ' GLU . . . . . 0.401 ' O ' ' HA ' ' A' ' 787' ' ' ALA . 12.3 mt-10 -116.52 171.22 7.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 53.34 110.27 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 839' ' ' GLU . . . . . 0.546 ' HG3' ' CZ3' ' A' ' 821' ' ' TRP . 3.6 mm-40 -148.18 140.06 23.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 71.15 110.293 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 33.2 t70 46.23 26.04 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 75.44 109.282 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 841' ' ' TYR . . . . . 0.406 ' N ' ' C ' ' A' ' 839' ' ' GLU . 16.3 p90 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 73.03 111.002 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 110.982 -0.847 . . . . 41.41 110.982 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 781' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -26.93 10.45 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.551 1.816 . . . . 73.42 111.031 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 782' ' ' GLY . . . . . . . . . . . . . . . 52.54 172.67 0.03 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.486 1.116 . . . . 54.21 111.011 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 783' ' ' THR . . . . . . . . . . . . . 64.2 m -87.8 117.62 26.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 0.779 . . . . 74.14 110.401 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 784' ' ' PHE . . . . . 0.426 ' CZ ' ' HD2' ' A' ' 814' ' ' LYS . 34.3 m-85 -85.61 -60.56 1.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 72.04 111.013 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 785' ' ' GLY . . . . . 0.468 ' O ' HG23 ' A' ' 786' ' ' THR . . . 161.82 -100.24 0.18 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.485 1.115 . . . . 72.34 110.991 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 786' ' ' THR . . . . . 0.468 HG23 ' O ' ' A' ' 785' ' ' GLY . 6.7 p -153.88 174.45 14.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.757 . . . . 73.0 110.354 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 787' ' ' ALA . . . . . 0.664 ' HB2' HD11 ' A' ' 811' ' ' ILE . . . -140.74 108.52 5.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 64.01 109.289 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 788' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -75.05 118.35 17.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 44.44 109.325 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -62.3 142.55 57.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 64.51 109.378 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 790' ' ' ARG . . . . . 0.439 ' HG3' ' CG ' ' A' ' 838' ' ' GLU . 14.0 mmt85 -116.6 -2.3 11.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 64.14 110.291 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 791' ' ' TYR . . . . . 0.421 ' CA ' ' HG3' ' A' ' 805' ' ' GLU . 81.4 m-85 -145.25 133.71 21.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 70.44 110.994 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -67.7 98.14 0.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 61.1 109.265 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 793' ' ' PHE . . . . . 0.459 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.2 t80 -84.86 173.97 10.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 75.1 110.964 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 64.6 m -152.36 105.7 3.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 73.43 108.26 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -68.14 118.53 11.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 53.32 109.305 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -87.18 -12.15 47.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 71.21 110.291 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -134.67 -172.83 3.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 73.42 109.3 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.29 -13.54 23.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 61.55 110.245 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 44.5 p -87.72 -6.46 58.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 61.32 109.948 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -100.4 149.59 23.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 75.31 110.302 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 801' ' ' LEU . . . . . 0.612 HD23 ' H ' ' A' ' 802' ' ' SER . 0.9 OUTLIER -87.52 137.46 32.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 55.31 109.296 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 802' ' ' SER . . . . . 0.612 ' H ' HD23 ' A' ' 801' ' ' LEU . 1.5 p -86.8 96.54 10.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 61.42 109.984 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 803' ' ' LEU . . . . . 0.832 HD11 HG12 ' A' ' 809' ' ' ILE . 0.9 OUTLIER -89.46 159.59 17.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 55.43 109.345 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -162.74 117.37 1.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 61.1 109.302 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 805' ' ' GLU . . . . . 0.421 ' HG3' ' CA ' ' A' ' 791' ' ' TYR . 5.5 mt-10 -41.95 138.12 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 72.4 110.274 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 83.67 8.1 85.09 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.538 1.149 . . . . 72.21 111.008 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -113.85 163.04 15.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 63.12 109.334 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 808' ' ' ILE . . . . . 0.6 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -113.95 146.06 19.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 74.23 109.263 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 809' ' ' ILE . . . . . 0.944 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.7 mp -113.74 114.75 47.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 74.2 109.294 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 810' ' ' LYS . . . . . 0.42 ' HD2' ' N ' ' A' ' 811' ' ' ILE . 13.4 tptt -68.81 114.91 7.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 63.45 109.343 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 811' ' ' ILE . . . . . 0.664 HD11 ' HB2' ' A' ' 787' ' ' ALA . 3.1 mm -73.7 130.83 35.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 75.52 109.284 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 812' ' ' LEU . . . . . 0.425 HD21 ' OE1' ' A' ' 824' ' ' GLU . 1.7 mt -121.19 -44.13 2.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 74.25 109.301 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -141.52 152.23 43.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.165 . . . . 75.44 109.261 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 814' ' ' LYS . . . . . 0.563 ' HG2' ' CD1' ' A' ' 821' ' ' TRP . 19.1 mttp -131.94 90.84 2.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 61.25 109.309 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . 0.476 ' HA ' ' CE ' ' A' ' 815' ' ' LYS . 0.2 OUTLIER -43.35 -34.85 1.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.175 . . . . 73.54 109.352 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 816' ' ' GLY . . . . . . . . . . . . . . . 168.49 -166.09 39.32 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 74.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -90.66 18.01 6.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 0.779 . . . . 71.03 110.273 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -157.39 136.32 11.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 63.5 110.3 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . 118.16 -109.26 1.76 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.456 1.097 . . . . 23.53 110.971 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 820' ' ' TRP . . . . . 0.516 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.33 172.67 12.37 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.026 -1.101 . . . . 75.35 108.026 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 821' ' ' TRP . . . . . 0.563 ' CD1' ' HG2' ' A' ' 814' ' ' LYS . 15.6 m0 -128.02 147.29 50.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 72.35 108.018 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 822' ' ' ARG . . . . . . . . . . . . . 6.6 ttm-85 -97.89 116.05 29.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 65.04 110.279 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -144.2 -172.26 14.76 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.491 1.119 . . . . 62.34 111.01 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 824' ' ' GLU . . . . . 0.77 ' HB3' HD13 ' A' ' 829' ' ' ILE . 0.7 OUTLIER -143.41 167.81 21.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.774 . . . . 73.23 110.258 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 825' ' ' ILE . . . . . 0.454 HD11 ' CD1' ' A' ' 809' ' ' ILE . 2.2 mt -157.39 123.18 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 72.21 109.282 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 8.3 m-30 57.85 20.9 7.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 74.52 111.012 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 92.55 13.78 56.47 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.463 1.102 . . . . 73.32 111.018 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . 0.403 ' O ' ' HA ' ' A' ' 824' ' ' GLU . 77.0 mtt180 -104.93 111.71 24.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 0.751 . . . . 73.22 110.272 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 829' ' ' ILE . . . . . 0.77 HD13 ' HB3' ' A' ' 824' ' ' GLU . 3.4 mm -88.29 155.13 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.11 . . . . 75.13 109.301 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 169.54 -169.7 42.2 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 30.1 110.988 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 831' ' ' TRP . . . . . 0.516 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 73.2 m95 -120.89 150.85 40.42 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.018 -1.105 . . . . 73.01 108.018 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 832' ' ' PHE . . . . . 0.944 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 30.5 p90 -153.81 152.44 26.99 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 64.34 111.009 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 147.93 34.69 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.465 1.771 . . . . 71.14 111.026 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . 0.689 ' HA ' HG22 ' A' ' 837' ' ' VAL . 7.4 t -89.69 3.88 51.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 52.42 109.996 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -94.28 -13.46 26.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 70.4 109.278 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -110.52 -2.09 16.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 65.14 110.978 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . 0.819 HG21 ' HE2' ' A' ' 832' ' ' PHE . 13.8 m -125.97 169.61 17.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 60.21 109.305 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 838' ' ' GLU . . . . . 0.439 ' CG ' ' HG3' ' A' ' 790' ' ' ARG . 6.1 mm-40 -137.23 124.7 22.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 60.21 110.325 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.37 175.2 5.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 74.31 110.294 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 32.6 t70 40.55 51.64 2.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 70.13 109.299 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 841' ' ' TYR . . . . . 0.541 ' CD1' ' N ' ' A' ' 842' ' ' SER . 22.9 p90 -104.23 -36.99 7.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 74.13 111.015 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 842' ' ' SER . . . . . 0.541 ' N ' ' CD1' ' A' ' 841' ' ' TYR . 18.9 p -153.51 165.45 35.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 60.11 110.01 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -111.01 165.23 12.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 74.13 110.332 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 844' ' ' TYR . . . . . 0.401 ' O ' ' CG ' ' A' ' 844' ' ' TYR . 1.5 t80 -122.22 57.74 1.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 73.12 111.024 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 845' ' ' LEU . . . . . 0.481 HD13 ' HA ' ' A' ' 845' ' ' LEU . 2.3 mm? -46.42 156.49 0.49 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 44.44 109.295 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 846' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 167.68 26.52 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.492 1.785 . . . . 63.31 111.002 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -66.99 158.86 29.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 74.22 110.305 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 848' ' ' THR . . . . . . . . . . . . . 6.2 p . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 63.44 110.415 -179.96 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 110.999 -0.841 . . . . 55.1 110.999 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 781' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 74.91 3.86 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.533 1.807 . . . . 74.24 110.959 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 782' ' ' GLY . . . . . . . . . . . . . . . -175.46 56.24 0.12 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.525 1.141 . . . . 65.21 110.996 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 783' ' ' THR . . . . . . . . . . . . . 92.3 m -81.85 143.68 31.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 0.791 . . . . 71.31 110.365 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 784' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -57.29 -74.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 73.23 111.015 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 785' ' ' GLY . . . . . 0.549 ' O ' HG23 ' A' ' 786' ' ' THR . . . 129.68 -51.74 0.85 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.442 1.089 . . . . 55.02 110.973 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 786' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 785' ' ' GLY . 2.3 p -155.66 170.71 21.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 0.742 . . . . 75.52 110.373 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 787' ' ' ALA . . . . . 0.663 ' HB2' HD11 ' A' ' 811' ' ' ILE . . . -144.92 110.19 5.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 75.35 109.356 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 788' ' ' LYS . . . . . 0.559 ' HB2' ' CE2' ' A' ' 841' ' ' TYR . 11.9 tttt -73.38 116.12 13.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 52.15 109.331 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . 0.54 ' HB2' ' CD1' ' A' ' 809' ' ' ILE . . . -60.41 133.56 56.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 40.12 109.27 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 790' ' ' ARG . . . . . 0.459 ' CG ' ' HG3' ' A' ' 838' ' ' GLU . 6.1 mmp_? -107.34 -5.37 17.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 74.32 110.36 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 791' ' ' TYR . . . . . 0.449 ' CA ' ' HG3' ' A' ' 805' ' ' GLU . 71.7 m-85 -153.42 128.43 9.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.112 . . . . 72.34 110.99 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.16 108.39 1.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 70.4 109.28 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 793' ' ' PHE . . . . . 0.447 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.2 t80 -98.82 116.22 30.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 63.22 110.994 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 4.3 m -82.52 113.51 20.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 74.33 108.305 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -74.96 105.0 5.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 65.12 109.308 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -53.39 -22.94 8.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 72.32 110.315 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -161.12 178.97 8.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 74.21 109.324 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 54.8 mtp85 -67.43 -10.11 48.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 60.32 110.295 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 57.4 p -74.13 -10.15 59.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 70.22 110.034 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -120.98 159.91 24.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 55.32 110.257 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 801' ' ' LEU . . . . . 0.62 HD23 ' H ' ' A' ' 802' ' ' SER . 0.9 OUTLIER -94.87 137.62 33.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 70.25 109.296 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 802' ' ' SER . . . . . 0.62 ' H ' HD23 ' A' ' 801' ' ' LEU . 1.0 OUTLIER -83.44 105.82 14.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 65.34 109.946 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 803' ' ' LEU . . . . . 0.527 HD21 ' HB2' ' A' ' 832' ' ' PHE . 0.9 OUTLIER -98.32 156.01 16.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 65.42 109.276 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 804' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 805' ' ' GLU . 1.0 OUTLIER -155.95 113.09 3.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 63.34 109.287 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 805' ' ' GLU . . . . . 0.449 ' HG3' ' CA ' ' A' ' 791' ' ' TYR . 7.1 mt-10 -38.79 133.68 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 72.04 110.298 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 89.85 -1.82 81.32 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.513 1.133 . . . . 71.43 110.979 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -102.09 164.49 11.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 0.79 . . . . 71.22 109.322 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 808' ' ' ILE . . . . . 0.674 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -113.55 145.55 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 52.02 109.322 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 809' ' ' ILE . . . . . 0.921 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.4 mp -115.86 115.66 49.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 54.14 109.328 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 810' ' ' LYS . . . . . 0.412 ' HD2' ' N ' ' A' ' 811' ' ' ILE . 5.6 tptm -70.02 114.22 7.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 63.23 109.281 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 811' ' ' ILE . . . . . 0.663 HD11 ' HB2' ' A' ' 787' ' ' ALA . 12.2 mm -73.95 117.18 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 73.22 109.315 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 812' ' ' LEU . . . . . . . . . . . . . 1.2 mt -106.94 -53.38 2.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 75.2 109.295 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -124.71 164.54 19.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 64.32 109.299 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 814' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? -133.42 82.99 2.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 54.33 109.317 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . 0.46 ' HA ' ' CE ' ' A' ' 815' ' ' LYS . 0.3 OUTLIER -73.75 90.16 1.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 72.04 109.261 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 816' ' ' GLY . . . . . . . . . . . . . . . 59.56 147.99 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.491 1.119 . . . . 54.32 111.017 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -73.28 -17.45 61.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 0.763 . . . . 71.32 110.317 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -119.63 75.17 1.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 53.43 110.297 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . -173.17 -109.15 0.22 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.544 1.153 . . . . 62.13 111.041 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 820' ' ' TRP . . . . . 0.554 ' CE3' ' HB3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.37 172.75 12.27 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.021 -1.103 . . . . 73.24 108.021 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 821' ' ' TRP . . . . . 0.557 ' CH2' ' OG ' ' A' ' 834' ' ' SER . 41.8 m0 -128.06 144.72 51.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 71.51 108.008 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 822' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -94.64 103.38 15.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 51.44 110.32 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 823' ' ' GLY . . . . . 0.486 ' C ' HD11 ' A' ' 801' ' ' LEU . . . -130.09 -174.58 13.74 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.532 1.145 . . . . 73.51 110.983 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 824' ' ' GLU . . . . . 0.806 ' HB3' HD13 ' A' ' 829' ' ' ILE . 1.6 pt-20 -143.46 168.7 19.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 0.786 . . . . 72.35 110.31 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 825' ' ' ILE . . . . . 0.454 HD11 ' CD1' ' A' ' 809' ' ' ILE . 2.3 mt -156.37 123.62 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 71.11 109.318 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 826' ' ' TYR . . . . . 0.445 ' CD1' ' N ' ' A' ' 826' ' ' TYR . 5.4 m-30 58.98 20.2 7.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 75.15 111.048 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 93.54 11.3 58.33 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.5 1.125 . . . . 71.11 110.997 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' A' ' 824' ' ' GLU . 22.2 mtp180 -103.48 113.6 27.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 0.761 . . . . 75.51 110.26 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 829' ' ' ILE . . . . . 0.806 HD13 ' HB3' ' A' ' 824' ' ' GLU . 3.6 mm -88.04 157.05 3.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 70.03 109.315 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 171.51 -170.29 43.21 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.473 1.108 . . . . 53.33 110.991 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 831' ' ' TRP . . . . . 0.554 ' HB3' ' CE3' ' A' ' 820' ' ' TRP . 81.3 m95 -120.83 146.89 46.08 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.056 -1.09 . . . . 73.24 108.056 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 832' ' ' PHE . . . . . 0.921 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 30.9 p90 -153.57 152.39 27.22 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 72.45 110.988 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 148.31 35.29 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.46 1.769 . . . . 72.14 111.008 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . 0.557 ' OG ' ' CH2' ' A' ' 821' ' ' TRP . 6.4 t -87.49 3.9 45.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 71.24 110.003 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -99.8 -9.95 22.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 75.13 109.304 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -107.38 -4.62 18.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 73.33 111.009 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . 0.818 HG21 ' HE2' ' A' ' 832' ' ' PHE . 15.6 m -119.28 178.74 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 74.32 109.329 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 838' ' ' GLU . . . . . 0.459 ' HG3' ' CG ' ' A' ' 790' ' ' ARG . 7.3 mt-10 -111.72 173.17 6.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 75.33 110.302 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 839' ' ' GLU . . . . . 0.434 ' C ' ' N ' ' A' ' 841' ' ' TYR . 11.1 mp0 -149.79 131.66 15.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 72.11 110.293 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 30.6 t70 40.61 29.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 64.22 109.286 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 841' ' ' TYR . . . . . 0.559 ' CE2' ' HB2' ' A' ' 788' ' ' LYS . 21.1 p90 -55.32 -36.28 66.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 65.42 111.05 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 842' ' ' SER . . . . . 0.414 ' N ' ' CD1' ' A' ' 841' ' ' TYR . 9.3 p -156.39 134.67 11.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 62.32 109.971 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -162.17 131.03 4.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 71.24 110.279 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 844' ' ' TYR . . . . . . . . . . . . . 5.8 t80 51.82 54.35 11.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 71.32 110.983 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 845' ' ' LEU . . . . . . . . . . . . . 27.4 mt -61.16 158.55 35.15 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 65.31 109.267 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 846' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -166.95 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.459 1.768 . . . . 65.33 110.984 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -81.26 82.18 7.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 72.03 110.318 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 848' ' ' THR . . . . . . . . . . . . . 5.0 m . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 73.1 110.372 -179.967 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.001 -0.84 . . . . 62.34 111.001 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 781' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -47.7 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.532 1.806 . . . . 74.32 111.039 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 782' ' ' GLY . . . . . . . . . . . . . . . 107.37 83.4 1.57 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.49 1.119 . . . . 64.51 110.96 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 783' ' ' THR . . . . . 0.553 HG22 ' CD2' ' A' ' 784' ' ' PHE . 2.6 m -66.54 -63.88 0.98 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 0.768 . . . . 74.15 110.404 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 784' ' ' PHE . . . . . 0.553 ' CD2' HG22 ' A' ' 783' ' ' THR . 95.1 m-85 -101.76 -69.45 0.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 70.13 110.985 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . 169.27 -106.25 0.24 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.508 1.13 . . . . 52.03 111.032 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 4.7 p -148.76 175.74 10.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 70.22 110.405 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 787' ' ' ALA . . . . . 0.474 ' HB2' HD11 ' A' ' 811' ' ' ILE . . . -143.7 110.34 5.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 54.41 109.264 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 788' ' ' LYS . . . . . 0.557 ' HB2' ' CE2' ' A' ' 841' ' ' TYR . 10.4 tttt -74.79 115.74 14.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 63.24 109.275 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -53.92 135.62 42.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 64.05 109.269 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 790' ' ' ARG . . . . . 0.467 ' CG ' ' HG3' ' A' ' 838' ' ' GLU . 17.3 mmt180 -108.4 -5.79 16.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 64.5 110.31 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 791' ' ' TYR . . . . . 0.436 ' CA ' ' HG3' ' A' ' 805' ' ' GLU . 95.0 m-85 -144.86 135.68 24.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 74.33 110.953 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -68.5 96.71 0.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 75.34 109.278 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 793' ' ' PHE . . . . . 0.441 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.1 t80 -84.07 174.78 10.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 63.1 110.99 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 34.9 t -152.28 109.29 3.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 71.1 108.274 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -75.01 137.41 41.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 53.12 109.323 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 796' ' ' ARG . . . . . 0.421 ' HD3' ' N ' ' A' ' 797' ' ' ASP . 0.0 OUTLIER -117.28 -9.38 10.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 73.41 110.299 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 797' ' ' ASP . . . . . 0.421 ' N ' ' HD3' ' A' ' 796' ' ' ARG . 15.6 t0 -143.88 166.8 23.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 73.43 109.26 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 17.2 mmt85 -73.79 -8.02 54.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 54.55 110.27 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 84.9 p -92.36 12.33 22.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 34.31 109.958 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -129.97 151.78 50.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 74.11 110.249 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 801' ' ' LEU . . . . . 0.615 HD23 ' H ' ' A' ' 802' ' ' SER . 0.9 OUTLIER -100.6 137.56 38.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 73.13 109.31 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 802' ' ' SER . . . . . 0.615 ' H ' HD23 ' A' ' 801' ' ' LEU . 0.6 OUTLIER -78.15 104.87 9.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 73.41 110.004 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 803' ' ' LEU . . . . . 0.862 HD11 HG12 ' A' ' 809' ' ' ILE . 1.2 mp -102.97 150.14 23.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 71.34 109.281 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -155.69 117.44 4.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 71.2 109.342 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 805' ' ' GLU . . . . . 0.436 ' HG3' ' CA ' ' A' ' 791' ' ' TYR . 9.8 mt-10 -39.16 134.42 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 61.14 110.274 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 88.87 -0.16 82.0 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.516 1.135 . . . . 75.23 110.986 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 807' ' ' ASP . . . . . 0.403 ' O ' ' HA ' ' A' ' 788' ' ' LYS . 2.3 m-20 -103.39 158.34 16.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.77 . . . . 73.34 109.298 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 808' ' ' ILE . . . . . 0.712 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -108.42 141.27 24.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 71.43 109.318 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 809' ' ' ILE . . . . . 0.949 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.6 mp -112.15 115.4 49.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 75.43 109.308 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 810' ' ' LYS . . . . . 0.441 ' HG3' HD21 ' A' ' 812' ' ' LEU . 5.9 tptm -71.59 114.23 9.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 74.15 109.273 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 811' ' ' ILE . . . . . 0.474 HD11 ' HB2' ' A' ' 787' ' ' ALA . 19.3 mm -76.61 128.58 37.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 72.12 109.342 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 812' ' ' LEU . . . . . 0.441 HD21 ' HG3' ' A' ' 810' ' ' LYS . 0.8 OUTLIER -119.31 -41.29 2.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 71.04 109.335 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -137.5 149.65 46.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 64.52 109.312 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 814' ' ' LYS . . . . . 0.519 ' HA ' ' CD1' ' A' ' 821' ' ' TRP . 19.3 mttm -129.42 91.28 3.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 74.42 109.286 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 9.6 mmmm -42.19 135.72 2.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 73.51 109.299 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 816' ' ' GLY . . . . . . . . . . . . . . . -43.3 -27.25 0.7 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.485 1.116 . . . . 74.45 110.989 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -103.75 167.45 9.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 0.796 . . . . 72.44 110.332 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 818' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 819' ' ' GLY . 77.1 mt-30 -80.66 2.32 26.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 71.32 110.331 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 819' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 818' ' ' GLN . . . -37.79 -83.32 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.502 1.126 . . . . 54.04 110.964 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 820' ' ' TRP . . . . . 0.715 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.31 172.8 12.2 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.992 -1.114 . . . . 75.21 107.992 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 821' ' ' TRP . . . . . 0.586 ' CH2' ' OE1' ' A' ' 839' ' ' GLU . 21.9 m0 -129.9 138.4 50.9 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.989 -1.115 . . . . 64.23 107.989 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 822' ' ' ARG . . . . . 0.428 ' HG3' ' CE2' ' A' ' 831' ' ' TRP . 3.9 ttt180 -87.28 117.32 25.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 63.5 110.268 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 823' ' ' GLY . . . . . 0.529 ' C ' HD11 ' A' ' 801' ' ' LEU . . . -139.95 -166.99 10.85 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.528 1.142 . . . . 50.35 111.027 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 824' ' ' GLU . . . . . 0.91 ' HB2' HD13 ' A' ' 829' ' ' ILE . 19.2 tt0 -155.9 156.79 35.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 0.776 . . . . 74.45 110.33 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 825' ' ' ILE . . . . . 0.576 HG23 ' CE1' ' A' ' 826' ' ' TYR . 2.7 mt -147.35 126.34 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.122 . . . . 63.04 109.312 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 826' ' ' TYR . . . . . 0.581 ' HD2' HH21 ' A' ' 828' ' ' ARG . 3.2 m-30 60.03 21.82 10.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 72.42 110.993 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 90.54 8.46 65.82 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.501 1.126 . . . . 33.21 111.021 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . 0.581 HH21 ' HD2' ' A' ' 826' ' ' TYR . 62.1 mtm180 -99.52 115.08 28.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 0.78 . . . . 75.45 110.262 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 829' ' ' ILE . . . . . 0.91 HD13 ' HB2' ' A' ' 824' ' ' GLU . 2.7 mm -87.4 155.91 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 70.14 109.264 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 173.14 -165.55 37.79 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.537 1.148 . . . . 52.42 111.062 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 831' ' ' TRP . . . . . 0.715 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 57.1 m95 -128.58 151.8 49.05 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.989 -1.115 . . . . 74.44 107.989 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 832' ' ' PHE . . . . . 0.949 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 30.5 p90 -156.51 153.43 24.84 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.434 1.084 . . . . 72.01 111.016 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 148.24 34.83 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.478 1.778 . . . . 72.53 111.003 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . 0.641 ' HA ' HG22 ' A' ' 837' ' ' VAL . 48.5 p -88.74 3.97 49.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 52.25 109.971 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -97.47 -12.15 22.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.108 . . . . 70.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -109.75 -3.33 16.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 73.1 110.972 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . 0.825 HG21 ' HE2' ' A' ' 832' ' ' PHE . 16.5 m -121.78 171.29 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 74.13 109.315 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 838' ' ' GLU . . . . . 0.467 ' HG3' ' CG ' ' A' ' 790' ' ' ARG . 5.5 mt-10 -114.31 178.82 4.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 75.32 110.347 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 839' ' ' GLU . . . . . 0.586 ' OE1' ' CH2' ' A' ' 821' ' ' TRP . 5.1 mt-10 -158.41 140.3 13.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 72.32 110.327 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 840' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 839' ' ' GLU . 26.5 t0 40.47 29.92 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 71.14 109.28 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 841' ' ' TYR . . . . . 0.557 ' CE2' ' HB2' ' A' ' 788' ' ' LYS . 21.6 p90 -62.7 -39.97 95.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.517 1.135 . . . . 71.42 110.963 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 842' ' ' SER . . . . . 0.514 ' N ' ' CD1' ' A' ' 841' ' ' TYR . 86.5 p -146.73 169.75 18.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 62.32 110.022 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -130.48 -174.41 3.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 73.12 110.333 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 844' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -102.44 49.45 0.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 70.21 111.041 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 845' ' ' LEU . . . . . . . . . . . . . 4.9 mt -49.99 158.44 0.92 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 65.52 109.327 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 846' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -165.8 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.495 1.787 . . . . 75.31 111.033 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 41.7 mp0 -83.08 97.47 8.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 64.2 110.276 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 848' ' ' THR . . . . . . . . . . . . . 11.6 p . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 71.0 110.398 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.033 -0.827 . . . . 52.51 111.033 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 781' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -2.05 12.03 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.474 1.776 . . . . 71.11 110.974 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 782' ' ' GLY . . . . . . . . . . . . . . . 178.5 41.89 0.07 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.118 . . . . 65.13 111.025 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 783' ' ' THR . . . . . . . . . . . . . 22.7 m -83.62 167.18 17.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 0.781 . . . . 53.33 110.375 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 784' ' ' PHE . . . . . 0.563 ' CZ ' ' OE2' ' A' ' 839' ' ' GLU . 3.7 m-30 -51.44 -76.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 73.24 111.023 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 785' ' ' GLY . . . . . 0.609 ' O ' HG23 ' A' ' 786' ' ' THR . . . 112.26 -56.71 0.46 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.457 1.098 . . . . 65.3 110.947 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 786' ' ' THR . . . . . 0.609 HG23 ' O ' ' A' ' 785' ' ' GLY . 2.3 p -157.69 179.48 9.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.766 . . . . 73.04 110.364 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -142.24 108.43 5.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 63.32 109.309 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 788' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 838' ' ' GLU . 10.9 tttt -74.29 115.48 13.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 63.52 109.317 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . 0.513 ' HB2' ' CD1' ' A' ' 809' ' ' ILE . . . -60.88 137.69 58.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 64.41 109.259 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 790' ' ' ARG . . . . . 0.404 ' HA ' ' NE ' ' A' ' 790' ' ' ARG . 6.4 mmp_? -111.89 -5.6 14.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 75.45 110.309 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 791' ' ' TYR . . . . . 0.439 ' CA ' ' HG3' ' A' ' 805' ' ' GLU . 96.9 m-85 -150.51 128.18 11.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 64.34 111.001 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.9 112.32 3.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 72.01 109.284 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 793' ' ' PHE . . . . . 0.462 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.1 t80 -102.95 114.78 29.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 73.34 111.001 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 17.6 t -82.39 123.21 28.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 72.21 108.294 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -86.48 140.55 29.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 53.15 109.28 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 796' ' ' ARG . . . . . 0.487 ' CZ ' ' CG ' ' A' ' 797' ' ' ASP . 0.0 OUTLIER -118.05 -7.28 10.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 72.13 110.32 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 797' ' ' ASP . . . . . 0.487 ' CG ' ' CZ ' ' A' ' 796' ' ' ARG . 0.9 OUTLIER -147.15 165.25 30.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 75.22 109.315 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -70.4 -10.14 58.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 75.35 110.277 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 7.5 p -84.79 -17.04 39.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 64.33 109.973 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -99.59 150.09 22.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 73.41 110.322 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 801' ' ' LEU . . . . . 0.644 HD23 ' H ' ' A' ' 802' ' ' SER . 0.8 OUTLIER -103.32 139.77 38.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 70.33 109.28 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 802' ' ' SER . . . . . 0.644 ' H ' HD23 ' A' ' 801' ' ' LEU . 4.7 t -83.07 111.24 18.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 50.3 110.013 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 803' ' ' LEU . . . . . 0.462 ' HB2' ' CB ' ' A' ' 793' ' ' PHE . 0.7 OUTLIER -103.93 161.31 14.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 71.34 109.31 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -159.03 111.76 2.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 70.12 109.281 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 805' ' ' GLU . . . . . 0.439 ' HG3' ' CA ' ' A' ' 791' ' ' TYR . 5.9 mt-10 -38.94 136.32 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 72.14 110.32 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 86.27 4.83 83.43 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.459 1.099 . . . . 71.33 110.986 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -106.04 164.54 11.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 0.8 . . . . 52.23 109.339 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 808' ' ' ILE . . . . . 0.772 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -113.06 144.13 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 64.41 109.278 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 809' ' ' ILE . . . . . 0.918 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.5 mp -117.79 116.11 50.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 62.01 109.344 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 810' ' ' LYS . . . . . 0.418 ' HD2' ' N ' ' A' ' 811' ' ' ILE . 5.7 tptm -74.91 114.17 13.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 62.31 109.28 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 811' ' ' ILE . . . . . 0.418 ' N ' ' HD2' ' A' ' 810' ' ' LYS . 2.9 mm -70.77 128.28 33.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 52.34 109.271 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 812' ' ' LEU . . . . . . . . . . . . . 1.1 mt -121.47 -50.5 2.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 74.54 109.316 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 813' ' ' ASN . . . . . 0.461 ' CB ' ' HB3' ' A' ' 822' ' ' ARG . 2.6 t30 -129.02 88.2 2.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 74.54 109.281 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 814' ' ' LYS . . . . . 0.553 ' HE3' ' CE2' ' A' ' 784' ' ' PHE . 2.1 ttpm? -84.25 79.61 9.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 61.25 109.294 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 16.7 mtpp -40.7 -46.54 2.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 70.45 109.292 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 816' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 818' ' ' GLN . . . 159.53 150.74 5.92 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.534 1.146 . . . . 55.31 111.039 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -39.07 -29.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.757 . . . . 75.33 110.266 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 818' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 816' ' ' GLY . 72.2 mt-30 -100.39 109.81 21.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 74.13 110.264 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . 130.6 -119.58 2.77 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.523 1.139 . . . . 30.42 110.968 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 820' ' ' TRP . . . . . 0.739 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.4 OUTLIER -142.32 171.85 13.5 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.003 -1.11 . . . . 62.23 108.003 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 821' ' ' TRP . . . . . 0.588 ' O ' ' CE1' ' A' ' 832' ' ' PHE . 43.0 m0 -126.96 134.16 50.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 75.12 108.007 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 822' ' ' ARG . . . . . 0.461 ' HB3' ' CB ' ' A' ' 813' ' ' ASN . 5.4 ttm180 -88.44 102.96 15.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 63.44 110.291 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -127.43 -169.92 12.76 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.517 1.136 . . . . 72.05 110.973 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 824' ' ' GLU . . . . . 0.932 ' HB2' HD13 ' A' ' 829' ' ' ILE . 0.7 OUTLIER -151.49 149.69 29.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 0.792 . . . . 75.41 110.237 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 825' ' ' ILE . . . . . 0.472 HD11 ' CD1' ' A' ' 809' ' ' ILE . 3.2 mt -139.21 127.73 28.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 64.43 109.284 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 826' ' ' TYR . . . . . 0.469 ' CD1' ' N ' ' A' ' 826' ' ' TYR . 5.2 m-30 58.64 26.87 15.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 74.44 111.052 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 84.96 9.62 80.33 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.497 1.123 . . . . 61.52 111.005 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' A' ' 824' ' ' GLU . 56.6 mtt-85 -100.68 116.59 32.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 0.796 . . . . 74.32 110.319 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 829' ' ' ILE . . . . . 0.932 HD13 ' HB2' ' A' ' 824' ' ' GLU . 2.7 mm -87.37 160.55 2.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.464 1.103 . . . . 72.5 109.284 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 830' ' ' GLY . . . . . 0.416 ' N ' HG22 ' A' ' 829' ' ' ILE . . . 165.22 -176.32 40.91 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.526 1.141 . . . . 62.2 111.018 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 831' ' ' TRP . . . . . 0.739 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 64.6 m95 -117.55 148.9 41.46 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.029 -1.101 . . . . 74.2 108.029 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 832' ' ' PHE . . . . . 0.918 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 38.8 p90 -152.94 152.06 27.5 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 71.53 110.95 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 147.68 34.27 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.53 1.805 . . . . 64.42 110.978 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . 0.561 ' HB2' ' CH2' ' A' ' 821' ' ' TRP . 88.4 p -89.07 3.9 50.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 71.51 110.01 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 54.8 m-20 -95.55 -10.84 28.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 72.42 109.287 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -108.87 -7.3 15.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 74.13 110.998 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . 0.827 HG21 ' HE2' ' A' ' 832' ' ' PHE . 30.8 m -118.69 176.98 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 74.33 109.284 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 838' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 788' ' ' LYS . 75.6 mt-10 -147.61 125.6 12.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 75.44 110.324 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 839' ' ' GLU . . . . . 0.563 ' OE2' ' CZ ' ' A' ' 784' ' ' PHE . 0.9 OUTLIER -118.26 178.17 4.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 73.24 110.341 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 25.9 t0 44.64 40.3 3.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 71.34 109.275 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 841' ' ' TYR . . . . . 0.575 ' CD1' ' N ' ' A' ' 842' ' ' SER . 28.9 p90 -96.66 -38.76 9.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 73.23 110.986 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 842' ' ' SER . . . . . 0.575 ' N ' ' CD1' ' A' ' 841' ' ' TYR . 31.7 p -155.01 174.55 15.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 71.33 110.043 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 14.4 mp0 -121.05 172.51 7.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 73.53 110.33 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 844' ' ' TYR . . . . . 0.498 ' CD1' ' O ' ' A' ' 844' ' ' TYR . 1.0 OUTLIER -133.91 37.77 3.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 72.22 110.977 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 845' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -69.62 156.12 92.26 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 70.24 109.318 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 846' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 123.48 7.92 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.512 1.796 . . . . 74.13 111.032 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -63.54 144.71 56.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 74.51 110.36 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 848' ' ' THR . . . . . . . . . . . . . 20.4 p . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 70.5 110.413 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.975 -0.85 . . . . 41.51 110.975 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 781' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -35.11 3.3 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.515 1.798 . . . . 71.45 111.013 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 782' ' ' GLY . . . . . . . . . . . . . . . -98.04 -168.97 32.04 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.443 1.089 . . . . 63.14 111.001 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 783' ' ' THR . . . . . 0.672 HG21 ' HE2' ' A' ' 810' ' ' LYS . 2.9 m -134.28 -174.75 3.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 0.753 . . . . 73.33 110.439 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 784' ' ' PHE . . . . . 0.597 ' H ' HG22 ' A' ' 783' ' ' THR . 4.8 m-30 -75.43 -75.47 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 73.21 110.952 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 785' ' ' GLY . . . . . 0.66 ' O ' HG23 ' A' ' 786' ' ' THR . . . -177.85 -116.58 0.49 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.539 1.149 . . . . 50.45 110.98 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 786' ' ' THR . . . . . 0.66 HG23 ' O ' ' A' ' 785' ' ' GLY . 2.3 p -158.72 170.07 22.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.76 . . . . 74.54 110.385 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 787' ' ' ALA . . . . . 0.688 ' CB ' HD11 ' A' ' 811' ' ' ILE . . . -147.63 107.39 3.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 51.14 109.283 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 788' ' ' LYS . . . . . 0.478 ' HB2' ' CZ ' ' A' ' 841' ' ' TYR . 36.9 tttt -65.55 132.45 48.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 72.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . 0.499 ' HB2' ' CD1' ' A' ' 809' ' ' ILE . . . -77.73 128.98 34.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 73.4 109.299 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 790' ' ' ARG . . . . . 0.46 ' C ' ' CD1' ' A' ' 791' ' ' TYR . 21.9 mmm180 -99.25 -3.79 33.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 54.25 110.284 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 791' ' ' TYR . . . . . 0.46 ' CD1' ' C ' ' A' ' 790' ' ' ARG . 41.0 m-85 -157.01 128.66 7.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 72.24 110.993 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.24 118.14 9.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 75.21 109.295 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 793' ' ' PHE . . . . . 0.464 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.2 t80 -105.74 128.34 53.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 74.43 111.015 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 55.8 m -92.08 105.06 17.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 44.1 108.28 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -66.73 111.13 3.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 63.33 109.281 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.53 -20.57 65.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 71.4 110.324 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -162.28 -177.82 5.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 73.33 109.296 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 46.4 mtt-85 -67.51 -11.47 58.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 63.53 110.307 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 26.4 p -73.12 -10.95 60.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 70.4 109.964 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -124.55 160.51 28.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 74.5 110.27 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 801' ' ' LEU . . . . . 0.642 HD23 ' H ' ' A' ' 802' ' ' SER . 0.8 OUTLIER -102.6 140.1 37.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 71.41 109.358 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 802' ' ' SER . . . . . 0.642 ' H ' HD23 ' A' ' 801' ' ' LEU . 9.8 m -78.61 99.5 6.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 64.33 110.006 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 803' ' ' LEU . . . . . 0.511 HD11 HG12 ' A' ' 809' ' ' ILE . 1.5 mp -90.45 157.45 17.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 72.24 109.295 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 2.0 tmtm? -157.07 110.51 2.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 74.15 109.321 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 805' ' ' GLU . . . . . 0.403 ' HG3' ' CA ' ' A' ' 791' ' ' TYR . 6.3 mt-10 -38.95 134.12 1.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 74.33 110.292 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 91.53 -7.56 79.79 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 63.31 111.03 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -97.2 165.42 12.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 64.04 109.331 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 808' ' ' ILE . . . . . 0.754 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -115.46 137.09 50.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 52.55 109.331 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 809' ' ' ILE . . . . . 0.904 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.3 mp -107.0 114.99 47.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 73.44 109.334 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 810' ' ' LYS . . . . . 0.672 ' HE2' HG21 ' A' ' 783' ' ' THR . 5.7 tptm -69.02 113.77 6.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 75.52 109.256 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 811' ' ' ILE . . . . . 0.688 HD11 ' CB ' ' A' ' 787' ' ' ALA . 12.1 mm -74.95 119.82 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 72.41 109.278 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 812' ' ' LEU . . . . . . . . . . . . . 1.2 mt -110.16 -51.9 2.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 61.41 109.3 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -122.32 164.57 17.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 74.23 109.302 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 814' ' ' LYS . . . . . 0.603 ' HA ' ' CD1' ' A' ' 821' ' ' TRP . 2.9 mtmp? -134.76 83.66 2.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 60.25 109.282 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . 0.448 ' HA ' ' CE ' ' A' ' 815' ' ' LYS . 0.3 OUTLIER -82.1 138.67 34.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 74.14 109.317 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 816' ' ' GLY . . . . . . . . . . . . . . . 50.15 178.38 0.02 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.508 1.13 . . . . 51.32 110.985 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 14.8 mp0 -98.5 -35.78 10.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 72.55 110.232 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -120.85 -4.28 9.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 55.13 110.28 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . -61.27 -107.76 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.477 1.111 . . . . 42.03 111.003 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 820' ' ' TRP . . . . . 0.739 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.36 172.49 12.62 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.013 -1.106 . . . . 73.4 108.013 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 821' ' ' TRP . . . . . 0.603 ' CD1' ' HA ' ' A' ' 814' ' ' LYS . 20.4 m0 -129.5 138.36 51.33 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.985 -1.117 . . . . 71.2 107.985 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 822' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -86.72 126.69 34.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 55.03 110.301 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -145.27 -159.56 8.17 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.488 1.118 . . . . 61.23 110.965 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 824' ' ' GLU . . . . . 0.902 ' HB2' HD13 ' A' ' 829' ' ' ILE . 0.6 OUTLIER -168.11 148.83 4.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 0.756 . . . . 55.3 110.312 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 825' ' ' ILE . . . . . 0.557 HG23 ' CE1' ' A' ' 826' ' ' TYR . 2.8 mt -138.07 125.55 29.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 70.51 109.259 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 826' ' ' TYR . . . . . 0.557 ' CE1' HG23 ' A' ' 825' ' ' ILE . 3.3 m-30 61.18 19.14 9.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 72.13 111.033 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 98.06 -8.92 63.31 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.505 1.128 . . . . 55.11 111.014 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . 0.414 ' O ' ' HA ' ' A' ' 824' ' ' GLU . 3.5 mpt_? -82.02 116.65 21.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 0.766 . . . . 72.23 110.246 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 829' ' ' ILE . . . . . 0.902 HD13 ' HB2' ' A' ' 824' ' ' GLU . 3.1 mm -87.5 156.45 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 74.02 109.3 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 174.76 -164.98 36.02 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.453 1.096 . . . . 74.14 111.028 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 831' ' ' TRP . . . . . 0.739 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 44.6 m95 -131.69 169.8 15.68 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.99 -1.115 . . . . 74.1 107.99 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 832' ' ' PHE . . . . . 0.904 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 31.6 p90 -175.79 152.66 1.32 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 64.31 111.022 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 146.75 32.98 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.493 1.786 . . . . 51.33 111.023 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . 0.446 ' HA ' HG22 ' A' ' 837' ' ' VAL . 18.8 p -81.69 3.92 23.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 75.34 109.996 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 21.2 m-20 -97.56 -8.8 28.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 71.04 109.33 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -109.39 -10.17 14.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 74.53 110.997 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . 0.804 HG21 ' HE2' ' A' ' 832' ' ' PHE . 30.4 m -117.78 170.58 7.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 70.01 109.31 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 838' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 788' ' ' LYS . 78.9 mt-10 -144.85 124.91 13.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 64.41 110.314 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 839' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 840' ' ' ASP . 0.0 OUTLIER -113.75 172.99 6.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 73.33 110.314 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 840' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 839' ' ' GLU . 25.4 t0 40.48 42.09 1.23 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 71.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 841' ' ' TYR . . . . . 0.478 ' CZ ' ' HB2' ' A' ' 788' ' ' LYS . 39.0 p90 -95.53 -38.05 10.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 75.42 111.013 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 842' ' ' SER . . . . . 0.436 ' N ' ' CD1' ' A' ' 841' ' ' TYR . 82.7 p -157.24 174.94 14.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 75.14 109.996 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -94.71 178.78 5.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 73.34 110.307 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 844' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -127.82 53.2 1.79 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 74.14 110.98 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 845' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -48.57 160.05 0.49 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 55.12 109.292 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 846' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 138.76 23.38 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.467 1.772 . . . . 72.0 110.981 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -60.12 102.92 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 74.53 110.33 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 848' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 73.14 110.431 179.978 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.007 -0.837 . . . . 63.33 111.007 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 781' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 130.24 13.15 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.49 1.784 . . . . 74.43 111.032 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 782' ' ' GLY . . . . . . . . . . . . . . . -137.1 27.62 2.88 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.542 1.151 . . . . 53.43 110.991 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 783' ' ' THR . . . . . . . . . . . . . 35.0 m -89.19 161.89 16.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 0.749 . . . . 72.31 110.371 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 784' ' ' PHE . . . . . 0.47 ' CE2' ' O ' ' A' ' 812' ' ' LEU . 14.4 m-85 -156.17 149.65 24.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 73.05 111.03 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . -109.82 -117.91 3.96 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.475 1.109 . . . . 33.5 110.996 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 5.5 p -151.48 174.58 13.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 0.772 . . . . 63.52 110.425 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 787' ' ' ALA . . . . . 0.596 ' HB2' HD11 ' A' ' 811' ' ' ILE . . . -140.57 107.88 5.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 61.41 109.3 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 788' ' ' LYS . . . . . 0.4 ' HB2' ' CE2' ' A' ' 841' ' ' TYR . 11.8 tttt -74.34 115.58 14.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 74.14 109.298 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -60.72 132.12 52.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.095 . . . . 34.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 790' ' ' ARG . . . . . 0.468 ' C ' ' CG ' ' A' ' 791' ' ' TYR . 51.3 mmm-85 -104.58 -5.2 21.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 71.22 110.308 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 791' ' ' TYR . . . . . 0.468 ' CG ' ' C ' ' A' ' 790' ' ' ARG . 37.3 m-85 -158.09 128.81 6.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 74.13 110.993 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 7.0 p30 -58.94 124.88 21.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 70.15 109.302 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 793' ' ' PHE . . . . . 0.554 ' CE2' ' CD ' ' A' ' 800' ' ' GLU . 1.1 t80 -113.69 115.11 27.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 75.53 110.962 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 60.6 m -84.13 109.86 18.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 72.13 108.28 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -64.25 98.26 0.22 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 54.13 109.299 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -63.28 -27.84 69.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 71.21 110.294 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -135.8 174.74 10.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 62.34 109.284 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -77.93 -5.04 49.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 73.02 110.295 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 45.6 p -87.47 -8.87 55.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 70.32 109.956 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 800' ' ' GLU . . . . . 0.554 ' CD ' ' CE2' ' A' ' 793' ' ' PHE . 32.8 tt0 -105.25 160.49 15.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 74.52 110.317 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 801' ' ' LEU . . . . . 0.623 HD23 ' H ' ' A' ' 802' ' ' SER . 0.9 OUTLIER -104.17 138.62 40.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 45.33 109.273 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 802' ' ' SER . . . . . 0.623 ' H ' HD23 ' A' ' 801' ' ' LEU . 1.3 t -79.69 108.33 13.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.092 . . . . 74.51 110.018 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 803' ' ' LEU . . . . . 0.444 ' HB2' ' CB ' ' A' ' 793' ' ' PHE . 0.5 OUTLIER -100.34 159.46 15.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 43.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -155.03 112.2 3.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 72.42 109.308 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -38.86 137.29 0.67 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 75.35 110.304 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 84.54 7.43 84.56 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.119 . . . . 73.14 111.008 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -109.85 161.08 15.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.765 . . . . 74.23 109.306 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 808' ' ' ILE . . . . . 0.618 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -112.25 142.55 24.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 61.23 109.307 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 809' ' ' ILE . . . . . 0.944 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.8 mp -111.12 114.54 47.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 74.31 109.298 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 810' ' ' LYS . . . . . 0.418 ' HD2' ' N ' ' A' ' 811' ' ' ILE . 17.4 tptt -69.7 114.13 7.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 54.11 109.305 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 811' ' ' ILE . . . . . 0.596 HD11 ' HB2' ' A' ' 787' ' ' ALA . 14.3 mm -74.7 126.85 36.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 64.11 109.305 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 812' ' ' LEU . . . . . 0.47 ' O ' ' CE2' ' A' ' 784' ' ' PHE . 0.7 OUTLIER -117.63 -40.14 3.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 72.44 109.274 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -137.65 145.35 42.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 54.35 109.287 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 814' ' ' LYS . . . . . 0.45 ' HG2' ' CD1' ' A' ' 821' ' ' TRP . 14.9 mtmm -133.66 91.25 2.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 74.11 109.291 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 17.9 mmtp -40.63 -29.74 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 74.13 109.375 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 816' ' ' GLY . . . . . 0.445 ' N ' ' C ' ' A' ' 814' ' ' LYS . . . 100.62 -83.92 0.55 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.542 1.151 . . . . 53.1 111.025 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -57.28 161.8 3.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 0.753 . . . . 72.13 110.252 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -46.5 157.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 34.44 110.314 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . 142.41 -107.23 0.48 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.524 1.14 . . . . 40.44 110.991 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 820' ' ' TRP . . . . . 0.467 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.34 172.9 12.06 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.981 -1.118 . . . . 75.42 107.981 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 821' ' ' TRP . . . . . 0.454 ' CZ3' ' HG3' ' A' ' 839' ' ' GLU . 7.9 m0 -133.01 147.43 52.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 74.34 107.977 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 822' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -88.94 153.98 20.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 75.54 110.319 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 178.49 -170.0 41.84 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.525 1.141 . . . . 73.24 111.007 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 824' ' ' GLU . . . . . 0.943 ' HB2' HD13 ' A' ' 829' ' ' ILE . 20.3 tt0 -153.66 159.26 42.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 0.778 . . . . 65.5 110.305 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 825' ' ' ILE . . . . . 0.499 ' N ' ' CG ' ' A' ' 824' ' ' GLU . 2.9 mt -151.74 134.65 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 71.43 109.286 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 826' ' ' TYR . . . . . 0.429 ' CD1' ' N ' ' A' ' 826' ' ' TYR . 10.1 m-30 55.79 17.27 2.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 70.02 111.028 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 90.4 22.3 35.01 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.129 . . . . 74.2 110.975 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . 0.421 ' N ' ' HG3' ' A' ' 824' ' ' GLU . 15.8 mmt-85 -114.74 116.95 29.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 0.776 . . . . 72.42 110.272 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 829' ' ' ILE . . . . . 0.943 HD13 ' HB2' ' A' ' 824' ' ' GLU . 2.8 mm -87.28 152.91 3.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 75.24 109.311 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 171.95 -165.59 38.37 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.48 1.113 . . . . 21.51 111.015 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 831' ' ' TRP . . . . . 0.467 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 55.6 m95 -125.84 165.66 18.28 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.007 -1.108 . . . . 72.11 108.007 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 832' ' ' PHE . . . . . 0.944 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 34.2 p90 -166.64 154.2 8.92 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 75.2 110.98 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 148.36 35.14 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.499 1.789 . . . . 72.51 111.017 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . 0.689 ' HA ' HG22 ' A' ' 837' ' ' VAL . 19.6 p -88.55 3.91 48.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 62.15 109.984 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -95.45 -13.39 24.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 74.45 109.323 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -110.07 -8.13 14.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 75.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . 0.689 HG22 ' HA ' ' A' ' 834' ' ' SER . 23.2 m -117.43 168.2 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 52.31 109.267 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 838' ' ' GLU . . . . . 0.464 ' HG3' ' CG ' ' A' ' 790' ' ' ARG . 5.3 mt-10 -110.79 172.87 6.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 65.15 110.271 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 839' ' ' GLU . . . . . 0.454 ' HG3' ' CZ3' ' A' ' 821' ' ' TRP . 13.1 mm-40 -153.41 139.67 18.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 71.33 110.283 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 21.0 t70 40.44 29.96 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 60.21 109.355 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 841' ' ' TYR . . . . . 0.433 ' N ' ' C ' ' A' ' 839' ' ' GLU . 19.2 p90 -60.43 -28.84 68.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 73.54 111.037 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 842' ' ' SER . . . . . 0.418 ' OG ' ' CD1' ' A' ' 841' ' ' TYR . 75.6 p -150.07 176.78 10.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 63.43 110.036 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 843' ' ' GLU . . . . . 0.404 ' O ' ' CB ' ' A' ' 844' ' ' TYR . 20.8 tt0 -170.03 154.66 5.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 60.53 110.264 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 844' ' ' TYR . . . . . 0.404 ' CB ' ' O ' ' A' ' 843' ' ' GLU . 0.4 OUTLIER 67.69 41.31 2.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 73.32 111.015 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 845' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 845' ' ' LEU . 0.0 OUTLIER -48.65 163.97 0.3 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 62.4 109.354 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 846' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 169.81 21.8 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.504 1.791 . . . . 73.21 111.013 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -64.03 134.64 55.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 72.43 110.272 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 848' ' ' THR . . . . . . . . . . . . . 21.4 m . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 70.44 110.399 179.971 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.985 -0.846 . . . . 65.22 110.985 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 781' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 95.39 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.521 1.8 . . . . 71.45 111.033 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 782' ' ' GLY . . . . . . . . . . . . . . . -108.08 137.12 13.9 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.125 . . . . 74.35 111.019 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 783' ' ' THR . . . . . . . . . . . . . 52.0 m -126.44 144.28 50.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 0.782 . . . . 52.04 110.405 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 784' ' ' PHE . . . . . 0.614 ' CE1' ' CE ' ' A' ' 814' ' ' LYS . 16.7 m-30 -48.22 177.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 71.32 111.006 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . -170.44 -99.31 0.12 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.467 1.104 . . . . 54.33 110.988 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 2.8 p -147.92 166.04 28.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 0.754 . . . . 61.03 110.405 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 787' ' ' ALA . . . . . 0.509 ' HB1' ' O ' ' A' ' 838' ' ' GLU . . . -144.86 120.89 10.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 72.13 109.348 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 788' ' ' LYS . . . . . . . . . . . . . 17.5 mtpt -75.32 156.92 35.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 75.15 109.314 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -95.07 126.77 40.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 65.21 109.287 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 790' ' ' ARG . . . . . 0.519 ' C ' ' CD1' ' A' ' 791' ' ' TYR . 5.4 mmm180 -105.17 3.08 29.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 75.35 110.287 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 791' ' ' TYR . . . . . 0.519 ' CD1' ' C ' ' A' ' 790' ' ' ARG . 55.6 m-85 -153.44 130.53 11.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 73.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -67.48 96.74 0.53 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 62.14 109.284 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 793' ' ' PHE . . . . . 0.455 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.1 t80 -84.54 176.15 8.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 75.01 111.038 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 4.4 p -152.24 105.61 3.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 54.2 108.285 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -69.22 130.79 43.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 65.24 109.285 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -101.8 -19.5 15.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.147 . . . . 73.05 110.293 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -143.3 172.92 12.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 73.43 109.295 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -73.08 -11.69 60.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 64.05 110.293 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 74.9 p -84.91 8.65 16.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 55.53 109.978 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -131.56 150.31 52.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 65.31 110.293 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 801' ' ' LEU . . . . . 0.657 HD23 ' H ' ' A' ' 802' ' ' SER . 0.7 OUTLIER -96.06 141.27 29.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 63.05 109.306 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 802' ' ' SER . . . . . 0.657 ' H ' HD23 ' A' ' 801' ' ' LEU . 1.8 m -82.21 95.4 7.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 74.23 110.038 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 803' ' ' LEU . . . . . 0.812 HD11 HG12 ' A' ' 809' ' ' ILE . 1.3 mp -88.69 153.01 21.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 64.23 109.315 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 13.4 tptp -160.28 116.32 2.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 72.52 109.314 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 805' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 791' ' ' TYR . 4.8 mt-10 -39.98 137.25 0.99 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 74.43 110.302 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 84.3 7.13 85.4 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 70.53 111.051 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -113.52 158.68 20.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 74.23 109.284 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 808' ' ' ILE . . . . . 0.776 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -108.5 151.47 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 73.33 109.309 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 809' ' ' ILE . . . . . 0.812 HG12 HD11 ' A' ' 803' ' ' LEU . 1.3 mp -121.83 116.14 48.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 71.32 109.283 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 810' ' ' LYS . . . . . . . . . . . . . 8.0 tptm -73.8 112.7 10.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 72.15 109.279 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 811' ' ' ILE . . . . . 1.017 HG21 ' NZ ' ' A' ' 814' ' ' LYS . 14.7 mm -70.34 122.6 22.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 72.41 109.328 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 812' ' ' LEU . . . . . . . . . . . . . 2.0 mt -116.04 -46.15 2.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 62.31 109.348 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -122.28 151.19 41.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 73.2 109.322 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 814' ' ' LYS . . . . . 1.017 ' NZ ' HG21 ' A' ' 811' ' ' ILE . 2.8 tppt? -134.0 68.74 1.48 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 74.44 109.342 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp -52.92 110.98 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 74.41 109.272 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 816' ' ' GLY . . . . . . . . . . . . . . . 68.64 -163.62 49.49 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.518 1.136 . . . . 43.53 110.974 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -87.28 -43.93 11.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 0.785 . . . . 73.03 110.309 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -146.44 139.4 25.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 64.45 110.249 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . 161.95 -91.22 0.11 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.49 1.119 . . . . 73.41 110.973 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 820' ' ' TRP . . . . . 0.456 ' CZ3' ' CG ' ' A' ' 831' ' ' TRP . 1.1 p-90 -142.42 118.49 10.68 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.995 -1.113 . . . . 71.13 107.995 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 821' ' ' TRP . . . . . 0.537 ' CD1' ' HG3' ' A' ' 814' ' ' LYS . 15.4 m0 -91.97 164.66 13.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 72.22 108.023 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 822' ' ' ARG . . . . . 0.568 ' HG3' ' CD1' ' A' ' 831' ' ' TRP . 30.3 ttt180 -121.56 121.79 38.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 75.22 110.304 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -133.97 -149.98 6.13 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.549 1.156 . . . . 71.33 111.012 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 824' ' ' GLU . . . . . 0.927 ' HB2' HD13 ' A' ' 829' ' ' ILE . 18.9 tt0 -163.99 153.44 14.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 0.789 . . . . 75.41 110.287 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 825' ' ' ILE . . . . . 0.653 HD11 ' O ' ' A' ' 808' ' ' ILE . 2.3 mt -145.27 124.45 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 74.33 109.283 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 826' ' ' TYR . . . . . 0.569 ' CE1' HG23 ' A' ' 825' ' ' ILE . 2.8 m-30 60.25 25.77 15.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 75.41 110.966 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 91.07 -5.41 81.66 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.529 1.143 . . . . 61.42 110.982 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 -85.28 114.37 22.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 0.774 . . . . 75.44 110.33 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 829' ' ' ILE . . . . . 0.927 HD13 ' HB2' ' A' ' 824' ' ' GLU . 3.1 mm -87.45 156.04 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 61.32 109.293 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 167.91 -165.98 39.1 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.464 1.102 . . . . 71.1 110.987 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 831' ' ' TRP . . . . . 0.568 ' CD1' ' HG3' ' A' ' 822' ' ' ARG . 21.8 m95 -128.31 -177.88 4.33 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.98 -1.118 . . . . 74.25 107.98 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 832' ' ' PHE . . . . . 0.81 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 29.4 p90 -178.34 154.88 0.93 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 70.12 111.011 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 833' ' ' PRO . . . . . 0.504 ' HG2' ' CG ' ' A' ' 836' ' ' TYR . 18.2 Cg_endo -75.02 148.45 35.23 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.475 1.776 . . . . 74.44 111.037 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 23.6 p -81.77 4.0 23.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 62.43 109.965 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 61.6 m-80 -105.39 0.05 26.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 73.55 109.328 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 836' ' ' TYR . . . . . 0.504 ' CG ' ' HG2' ' A' ' 833' ' ' PRO . 6.4 m-85 -116.16 0.95 13.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 75.22 110.964 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . 0.764 HG21 ' HE2' ' A' ' 832' ' ' PHE . 6.1 m -139.63 169.84 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 60.11 109.318 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 838' ' ' GLU . . . . . 0.509 ' O ' ' HB1' ' A' ' 787' ' ' ALA . 19.8 mt-10 -110.04 174.42 5.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 70.25 110.328 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 839' ' ' GLU . . . . . 0.526 ' HG3' ' CZ3' ' A' ' 821' ' ' TRP . 19.0 mm-40 -149.09 138.38 21.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 73.02 110.316 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 19.9 t0 40.5 29.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 63.05 109.298 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 841' ' ' TYR . . . . . 0.449 ' N ' ' C ' ' A' ' 839' ' ' GLU . 18.4 p90 -58.77 -34.26 71.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 64.01 111.03 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 842' ' ' SER . . . . . 0.408 ' N ' ' CD1' ' A' ' 841' ' ' TYR . 57.4 p -151.72 174.87 12.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 73.42 110.005 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -115.26 126.81 54.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 71.25 110.314 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 844' ' ' TYR . . . . . 0.5 ' CD1' ' O ' ' A' ' 844' ' ' TYR . 1.1 t80 -134.48 40.28 3.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 73.12 110.996 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 845' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.13 160.99 76.13 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 72.53 109.328 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 846' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 153.39 41.48 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.492 1.785 . . . . 65.42 110.997 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -45.41 157.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 75.44 110.27 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 848' ' ' THR . . . . . . . . . . . . . 5.7 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 63.4 110.421 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.003 -0.839 . . . . 61.51 111.003 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 781' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -19.44 17.88 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.512 1.796 . . . . 54.3 110.995 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 782' ' ' GLY . . . . . . . . . . . . . . . 165.82 -131.03 2.27 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.513 1.133 . . . . 51.43 111.011 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 783' ' ' THR . . . . . . . . . . . . . 3.2 m -145.55 132.95 20.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 0.758 . . . . 73.35 110.457 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 784' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -139.13 -176.59 4.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 65.25 110.961 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 785' ' ' GLY . . . . . 0.523 ' O ' HG23 ' A' ' 786' ' ' THR . . . -143.45 -105.69 0.53 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.46 1.1 . . . . 71.41 111.024 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 786' ' ' THR . . . . . 0.523 HG23 ' O ' ' A' ' 785' ' ' GLY . 2.4 p -155.03 174.6 14.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 55.22 110.424 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 787' ' ' ALA . . . . . 0.661 ' HB2' HD11 ' A' ' 811' ' ' ILE . . . -144.81 102.99 3.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 74.35 109.289 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 788' ' ' LYS . . . . . . . . . . . . . 34.5 tttt -66.58 128.3 35.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 71.34 109.276 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . 0.44 ' HA ' HG12 ' A' ' 837' ' ' VAL . . . -75.15 124.7 27.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 72.42 109.299 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 790' ' ' ARG . . . . . 0.456 ' O ' ' CG ' ' A' ' 791' ' ' TYR . 19.9 mmm180 -98.45 1.26 46.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 74.12 110.273 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 791' ' ' TYR . . . . . 0.456 ' CG ' ' O ' ' A' ' 790' ' ' ARG . 67.4 m-85 -159.55 128.73 5.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 62.34 110.941 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.37 109.88 2.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 65.3 109.316 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 793' ' ' PHE . . . . . 0.557 ' CE2' ' CD ' ' A' ' 800' ' ' GLU . 1.1 t80 -99.12 125.18 44.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 72.03 111.023 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 97.5 m -92.25 113.25 25.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 62.23 108.294 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -72.83 104.21 3.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 70.11 109.306 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -75.15 -25.46 58.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 74.12 110.321 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -131.58 169.72 15.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 64.54 109.261 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 56.6 mtp180 -75.52 -4.35 39.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 73.31 110.317 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 97.2 p -87.97 -12.03 45.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 73.12 109.996 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 800' ' ' GLU . . . . . 0.557 ' CD ' ' CE2' ' A' ' 793' ' ' PHE . 33.4 tt0 -103.01 157.19 17.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 65.52 110.283 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 801' ' ' LEU . . . . . 0.652 HD23 ' H ' ' A' ' 802' ' ' SER . 0.8 OUTLIER -103.81 140.02 38.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 62.1 109.326 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 802' ' ' SER . . . . . 0.652 ' H ' HD23 ' A' ' 801' ' ' LEU . 10.9 t -79.45 112.04 16.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 62.21 109.979 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 803' ' ' LEU . . . . . 0.513 ' HG ' HD11 ' A' ' 809' ' ' ILE . 1.1 mp -107.01 158.87 16.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 74.42 109.269 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -158.41 113.09 2.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 64.35 109.309 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -38.93 133.16 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 62.14 110.295 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 94.76 -14.22 65.73 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.465 1.103 . . . . 40.11 110.977 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -92.76 162.02 14.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 0.737 . . . . 73.55 109.288 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 808' ' ' ILE . . . . . 0.69 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -116.09 136.51 52.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.519 1.137 . . . . 55.23 109.328 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 809' ' ' ILE . . . . . 0.89 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.4 mp -102.19 113.67 39.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 71.42 109.295 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 810' ' ' LYS . . . . . 0.419 ' HD2' ' N ' ' A' ' 811' ' ' ILE . 11.8 tptt -68.31 115.83 8.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 60.02 109.288 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 811' ' ' ILE . . . . . 0.661 HD11 ' HB2' ' A' ' 787' ' ' ALA . 5.3 mm -78.48 136.25 24.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 35.14 109.321 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 812' ' ' LEU . . . . . 0.415 HD21 ' HG3' ' A' ' 810' ' ' LYS . 0.7 OUTLIER -126.97 -46.99 1.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 75.34 109.301 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -135.96 141.28 44.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 73.4 109.325 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 814' ' ' LYS . . . . . 0.524 ' CD ' ' CE2' ' A' ' 821' ' ' TRP . 11.2 mtmm -125.63 89.18 2.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 75.31 109.285 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 10.3 mmmm -46.04 -26.35 0.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 62.22 109.326 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 816' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 814' ' ' LYS . . . 161.11 167.46 21.6 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 72.12 111.03 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -68.71 -7.82 37.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 0.766 . . . . 74.42 110.284 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -124.09 132.86 53.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 72.34 110.252 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . 115.52 -109.44 2.06 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.497 1.123 . . . . 72.04 111.048 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 820' ' ' TRP . . . . . 0.476 ' CE3' ' HB3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.34 172.81 12.18 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.003 -1.11 . . . . 64.01 108.003 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 821' ' ' TRP . . . . . 0.564 ' CZ3' ' HB2' ' A' ' 834' ' ' SER . 16.9 m0 -128.46 146.07 50.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 75.32 108.053 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 822' ' ' ARG . . . . . 0.503 ' HG3' ' CE2' ' A' ' 831' ' ' TRP . 7.6 ttt180 -99.39 111.23 23.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 73.54 110.264 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -131.18 -154.66 7.93 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.496 1.123 . . . . 43.04 110.962 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 824' ' ' GLU . . . . . 0.926 ' HB2' HD13 ' A' ' 829' ' ' ILE . 0.8 OUTLIER -168.45 149.06 4.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 0.758 . . . . 73.24 110.293 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 825' ' ' ILE . . . . . 0.575 HG23 ' CE1' ' A' ' 826' ' ' TYR . 3.6 mt -140.01 128.31 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 63.1 109.287 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 826' ' ' TYR . . . . . 0.575 ' CE1' HG23 ' A' ' 825' ' ' ILE . 3.5 m-30 60.77 21.89 11.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 75.31 110.992 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 89.71 6.0 70.73 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 74.3 110.995 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . 0.417 ' O ' ' HA ' ' A' ' 824' ' ' GLU . 86.9 mtt180 -97.74 118.09 33.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 0.771 . . . . 73.55 110.305 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 829' ' ' ILE . . . . . 0.926 HD13 ' HB2' ' A' ' 824' ' ' GLU . 2.9 mm -87.41 159.51 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.09 . . . . 71.1 109.302 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 169.64 -179.21 42.23 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 54.11 110.98 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 831' ' ' TRP . . . . . 0.503 ' CE2' ' HG3' ' A' ' 822' ' ' ARG . 80.5 m95 -117.85 150.14 39.68 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.963 -1.125 . . . . 75.52 107.963 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 832' ' ' PHE . . . . . 0.89 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 32.2 p90 -157.02 153.57 24.32 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 74.12 110.985 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 833' ' ' PRO . . . . . 0.409 ' O ' HG22 ' A' ' 837' ' ' VAL . 18.3 Cg_endo -74.97 148.28 35.19 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.462 1.769 . . . . 63.44 111.008 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . 0.564 ' HB2' ' CZ3' ' A' ' 821' ' ' TRP . 60.1 p -86.56 3.91 42.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 73.13 109.999 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -96.43 -11.11 26.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 71.12 109.317 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -107.95 -4.64 17.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 73.43 110.994 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . 0.779 HG21 ' HE2' ' A' ' 832' ' ' PHE . 16.1 m -122.47 -177.35 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 74.42 109.287 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 838' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 787' ' ' ALA . 41.5 mm-40 -121.96 175.99 6.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 75.02 110.281 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 839' ' ' GLU . . . . . 0.453 ' HG3' ' CH2' ' A' ' 821' ' ' TRP . 13.4 mm-40 -150.61 138.08 19.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 73.3 110.318 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 20.0 t0 40.43 29.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 63.1 109.28 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 841' ' ' TYR . . . . . 0.473 ' CD1' ' N ' ' A' ' 842' ' ' SER . 17.0 p90 -58.34 -38.52 77.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 73.4 111.019 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 842' ' ' SER . . . . . 0.473 ' N ' ' CD1' ' A' ' 841' ' ' TYR . 24.3 p -155.63 135.86 13.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 62.14 109.975 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -94.98 158.72 15.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 72.4 110.32 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 844' ' ' TYR . . . . . 0.577 ' CD1' ' C ' ' A' ' 844' ' ' TYR . 0.0 OUTLIER -87.23 41.65 0.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 64.14 111.035 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 845' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 844' ' ' TYR . 6.7 mt -38.67 153.53 0.16 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 75.5 109.288 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 846' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 152.62 40.98 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.554 1.818 . . . . 55.32 110.978 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.72 147.33 28.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 62.44 110.322 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 848' ' ' THR . . . . . . . . . . . . . 22.0 m . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 64.43 110.375 179.986 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.966 -0.853 . . . . 72.13 110.966 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 781' ' ' PRO . . . . . 0.441 ' C ' ' HZ1' ' A' ' 810' ' ' LYS . 18.3 Cg_endo -75.03 170.87 19.46 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.478 1.778 . . . . 65.01 110.995 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 782' ' ' GLY . . . . . . . . . . . . . . . -107.5 114.86 4.38 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.475 1.109 . . . . 71.24 110.968 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 783' ' ' THR . . . . . . . . . . . . . 22.3 m -46.29 -30.67 2.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 0.753 . . . . 72.11 110.415 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 784' ' ' PHE . . . . . 0.65 ' CZ ' ' NZ ' ' A' ' 814' ' ' LYS . 19.0 m-85 -110.54 -68.57 0.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 74.24 111.008 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . 167.89 -106.51 0.26 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.461 1.101 . . . . 52.02 110.99 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 786' ' ' THR . . . . . 0.43 HG22 ' HA ' ' A' ' 810' ' ' LYS . 2.8 p -149.91 -179.74 7.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.775 . . . . 61.43 110.423 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 787' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' A' ' 838' ' ' GLU . . . -145.23 114.24 6.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 44.22 109.296 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 788' ' ' LYS . . . . . 0.452 ' HB2' ' CZ ' ' A' ' 841' ' ' TYR . 11.5 tttt -76.28 116.12 16.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 71.13 109.331 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -56.31 123.85 16.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 62.42 109.309 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 790' ' ' ARG . . . . . 0.427 ' C ' ' CG ' ' A' ' 791' ' ' TYR . 21.9 mmm180 -99.74 -6.3 27.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 72.31 110.287 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 791' ' ' TYR . . . . . 0.427 ' CG ' ' C ' ' A' ' 790' ' ' ARG . 68.9 m-85 -157.91 128.42 6.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 74.02 111.032 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 18.0 p-10 -60.67 121.23 11.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 74.25 109.321 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 793' ' ' PHE . . . . . 0.452 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.4 t80 -111.88 113.4 25.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 60.34 111.0 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 25.3 m -81.97 104.53 12.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 63.14 108.301 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . 0.481 ' HB1' ' HB3' ' A' ' 800' ' ' GLU . . . -61.33 98.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 31.25 109.278 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 2.8 ptp85 -47.9 -23.91 0.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 64.11 110.297 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 797' ' ' ASP . . . . . 0.428 ' CG ' ' HG ' ' A' ' 799' ' ' SER . 0.5 OUTLIER -155.47 169.09 25.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 53.24 109.302 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.24 -16.87 49.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 72.13 110.269 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 799' ' ' SER . . . . . 0.428 ' HG ' ' CG ' ' A' ' 797' ' ' ASP . 0.8 OUTLIER -71.74 -13.89 61.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 52.41 110.009 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 800' ' ' GLU . . . . . 0.481 ' HB3' ' HB1' ' A' ' 795' ' ' ALA . 1.4 tp10 -110.7 149.48 30.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 65.42 110.271 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 801' ' ' LEU . . . . . 0.644 HD23 ' H ' ' A' ' 802' ' ' SER . 0.8 OUTLIER -84.82 139.45 31.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 75.23 109.302 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 802' ' ' SER . . . . . 0.644 ' H ' HD23 ' A' ' 801' ' ' LEU . 1.0 OUTLIER -86.83 105.83 17.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 71.12 109.987 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 803' ' ' LEU . . . . . 0.452 ' HB2' ' CB ' ' A' ' 793' ' ' PHE . 0.5 OUTLIER -94.79 157.48 15.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 71.12 109.258 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -154.43 111.53 3.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 70.04 109.326 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -38.98 137.77 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 74.42 110.3 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 83.77 8.44 84.41 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.475 1.109 . . . . 72.45 110.982 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -112.4 162.8 15.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 74.52 109.268 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 808' ' ' ILE . . . . . 0.689 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -110.24 146.71 15.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 73.32 109.297 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 809' ' ' ILE . . . . . 0.91 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.5 mp -118.54 116.61 51.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 72.21 109.347 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 810' ' ' LYS . . . . . 0.441 ' HZ1' ' C ' ' A' ' 781' ' ' PRO . 14.2 tptp -75.93 114.21 14.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 74.13 109.322 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 811' ' ' ILE . . . . . 0.413 ' N ' ' HD2' ' A' ' 810' ' ' LYS . 3.3 mm -71.33 128.84 34.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 65.1 109.303 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 812' ' ' LEU . . . . . . . . . . . . . 2.5 mt -120.17 -51.26 2.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 65.2 109.348 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 813' ' ' ASN . . . . . 0.468 ' CB ' ' HB3' ' A' ' 822' ' ' ARG . 2.9 t30 -122.46 156.6 33.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 64.24 109.293 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 814' ' ' LYS . . . . . 0.65 ' NZ ' ' CZ ' ' A' ' 784' ' ' PHE . 1.5 mmmp? -134.18 62.12 1.66 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 43.42 109.308 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -52.08 110.48 0.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 74.42 109.291 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 816' ' ' GLY . . . . . . . . . . . . . . . 43.67 -168.23 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.133 . . . . 62.31 111.008 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -113.58 172.64 6.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 0.786 . . . . 74.33 110.305 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 42.27 34.15 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 61.24 110.328 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . -122.72 -107.44 1.9 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.501 1.126 . . . . 62.44 110.969 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 820' ' ' TRP . . . . . 0.712 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.37 172.6 12.47 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.01 -1.107 . . . . 64.25 108.01 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 821' ' ' TRP . . . . . 0.593 ' O ' ' CE1' ' A' ' 832' ' ' PHE . 41.0 m0 -130.91 131.39 44.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 73.31 107.982 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 822' ' ' ARG . . . . . 0.468 ' HB3' ' CB ' ' A' ' 813' ' ' ASN . 22.1 ttp180 -87.56 99.92 12.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 75.24 110.294 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -119.0 -159.15 10.95 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.507 1.129 . . . . 34.13 111.011 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 824' ' ' GLU . . . . . 0.92 ' HB2' HD13 ' A' ' 829' ' ' ILE . 19.8 tt0 -161.12 159.14 28.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 0.769 . . . . 63.21 110.304 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 825' ' ' ILE . . . . . 0.649 HD11 ' O ' ' A' ' 808' ' ' ILE . 2.4 mt -151.87 128.84 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 72.23 109.281 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 826' ' ' TYR . . . . . 0.61 ' HD2' HH21 ' A' ' 828' ' ' ARG . 4.8 m-30 58.51 23.93 11.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 55.22 110.985 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 85.67 17.34 62.04 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.468 1.105 . . . . 51.55 110.974 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . 0.61 HH21 ' HD2' ' A' ' 826' ' ' TYR . 18.8 mtm105 -108.96 114.75 28.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 0.761 . . . . 73.24 110.346 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 829' ' ' ILE . . . . . 0.92 HD13 ' HB2' ' A' ' 824' ' ' GLU . 2.7 mm -87.42 157.56 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 72.14 109.275 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 174.07 -169.54 42.57 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.526 1.141 . . . . 74.12 111.0 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 831' ' ' TRP . . . . . 0.712 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 70.6 m95 -126.58 142.32 51.57 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.009 -1.108 . . . . 75.14 108.009 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 832' ' ' PHE . . . . . 0.91 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 38.5 p90 -148.76 150.95 34.34 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 70.42 111.004 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 833' ' ' PRO . . . . . 0.449 ' HG2' ' CD1' ' A' ' 836' ' ' TYR . 18.4 Cg_endo -74.99 147.47 34.03 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.492 1.785 . . . . 73.35 111.018 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . 0.57 ' HB2' ' CH2' ' A' ' 821' ' ' TRP . 7.7 p -84.36 3.89 33.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 71.33 109.966 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -97.51 -9.4 27.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 50.12 109.276 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 836' ' ' TYR . . . . . 0.449 ' CD1' ' HG2' ' A' ' 833' ' ' PRO . 17.2 m-85 -109.97 -0.45 18.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 71.05 111.021 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . 0.794 HG21 ' HE2' ' A' ' 832' ' ' PHE . 10.8 m -126.47 -176.17 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 64.34 109.281 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 838' ' ' GLU . . . . . 0.428 ' O ' ' CB ' ' A' ' 787' ' ' ALA . 7.0 mm-40 -125.89 171.55 10.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 71.22 110.312 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 839' ' ' GLU . . . . . 0.563 ' HG3' ' CH2' ' A' ' 821' ' ' TRP . 14.5 mm-40 -148.23 140.25 24.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 75.45 110.314 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 840' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 839' ' ' GLU . 20.7 t70 40.51 29.84 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 74.32 109.284 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 841' ' ' TYR . . . . . 0.466 ' CD1' ' N ' ' A' ' 842' ' ' SER . 18.5 p90 -59.79 -37.22 78.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.433 1.083 . . . . 74.24 111.002 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 842' ' ' SER . . . . . 0.466 ' N ' ' CD1' ' A' ' 841' ' ' TYR . 82.4 p -152.22 145.51 24.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 73.02 109.997 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -90.63 133.77 34.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 63.15 110.291 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 844' ' ' TYR . . . . . 0.594 ' O ' ' CD2' ' A' ' 844' ' ' TYR . 9.6 p90 -123.9 29.04 6.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 73.53 111.016 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 845' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -44.94 158.92 0.27 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 74.54 109.301 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 846' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 137.38 21.64 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.465 1.771 . . . . 63.32 110.999 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -52.6 145.87 11.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 73.24 110.253 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 848' ' ' THR . . . . . . . . . . . . . 50.4 p . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 71.24 110.421 179.988 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.972 -0.851 . . . . 64.43 110.972 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 781' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -71.62 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.523 1.801 . . . . 73.12 111.027 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 782' ' ' GLY . . . . . . . . . . . . . . . -86.41 -136.3 4.36 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.493 1.121 . . . . 45.43 111.02 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 783' ' ' THR . . . . . . . . . . . . . 29.1 m -78.01 -0.26 27.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 0.767 . . . . 54.42 110.401 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 784' ' ' PHE . . . . . 0.55 ' CD1' ' HE3' ' A' ' 814' ' ' LYS . 22.1 m-85 -92.6 172.46 8.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 54.51 111.031 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 785' ' ' GLY . . . . . 0.675 ' O ' HG23 ' A' ' 786' ' ' THR . . . -164.28 -88.04 0.07 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.484 1.115 . . . . 50.34 111.005 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 786' ' ' THR . . . . . 0.675 HG23 ' O ' ' A' ' 785' ' ' GLY . 2.5 p -159.8 178.72 9.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 0.736 . . . . 54.43 110.373 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 787' ' ' ALA . . . . . 0.559 ' HB2' HD11 ' A' ' 811' ' ' ILE . . . -142.5 111.82 6.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 62.41 109.258 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 788' ' ' LYS . . . . . 0.406 ' HB2' ' CZ ' ' A' ' 841' ' ' TYR . 13.2 tttt -79.19 118.32 21.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 74.21 109.298 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -61.15 139.21 58.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 72.23 109.289 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 790' ' ' ARG . . . . . 0.422 ' C ' ' CD1' ' A' ' 791' ' ' TYR . 37.3 mmm-85 -118.31 -2.7 11.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 64.31 110.311 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 791' ' ' TYR . . . . . 0.422 ' CD1' ' C ' ' A' ' 790' ' ' ARG . 22.1 m-85 -143.97 129.38 18.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 73.53 110.985 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -65.09 96.68 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 61.3 109.324 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 793' ' ' PHE . . . . . 0.55 ' CE2' ' OE1' ' A' ' 800' ' ' GLU . 1.1 t80 -83.06 175.04 10.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 74.51 111.04 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 4.3 p -152.35 105.58 3.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 43.33 108.264 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -69.35 132.96 47.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 44.34 109.371 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.53 -18.27 14.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 65.14 110.343 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -144.99 174.19 11.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 64.31 109.287 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -72.26 -14.13 61.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 75.11 110.326 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 2.9 p -84.0 7.92 16.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 71.14 110.002 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 800' ' ' GLU . . . . . 0.55 ' OE1' ' CE2' ' A' ' 793' ' ' PHE . 29.2 tt0 -129.07 142.23 50.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 73.53 110.315 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 801' ' ' LEU . . . . . 0.636 HD23 ' H ' ' A' ' 802' ' ' SER . 0.8 OUTLIER -91.03 139.23 30.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.085 . . . . 64.31 109.297 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 802' ' ' SER . . . . . 0.636 ' H ' HD23 ' A' ' 801' ' ' LEU . 0.9 OUTLIER -80.83 105.17 11.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 42.33 110.025 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 803' ' ' LEU . . . . . 0.824 HD11 HG12 ' A' ' 809' ' ' ILE . 0.4 OUTLIER -99.96 154.35 18.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 72.04 109.308 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 7.3 tptm -157.35 115.45 3.16 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 74.34 109.267 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 805' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 791' ' ' TYR . 4.5 mt-10 -39.29 142.31 0.27 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 74.31 110.318 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 79.26 13.82 82.36 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.519 1.137 . . . . 71.31 110.975 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -120.05 159.37 24.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 0.784 . . . . 75.1 109.321 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 808' ' ' ILE . . . . . 0.774 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -108.68 148.23 12.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 71.43 109.263 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 809' ' ' ILE . . . . . 0.824 HG12 HD11 ' A' ' 803' ' ' LEU . 1.9 mp -120.16 116.42 50.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 73.13 109.305 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 810' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -72.99 113.42 10.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 61.23 109.301 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 811' ' ' ILE . . . . . 0.559 HD11 ' HB2' ' A' ' 787' ' ' ALA . 5.6 mm -70.88 128.52 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 74.22 109.331 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 812' ' ' LEU . . . . . . . . . . . . . 2.8 mt -120.11 -48.59 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 71.32 109.295 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 813' ' ' ASN . . . . . 0.456 ' HB2' ' CZ ' ' A' ' 822' ' ' ARG . 9.0 t-20 -120.33 149.42 42.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 73.44 109.32 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 814' ' ' LYS . . . . . 0.55 ' HE3' ' CD1' ' A' ' 784' ' ' PHE . 1.3 mmmp? -136.71 77.21 1.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 74.24 109.281 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 5.1 mmmt -41.52 -76.02 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 74.24 109.295 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 816' ' ' GLY . . . . . . . . . . . . . . . -148.44 177.96 26.34 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.543 1.152 . . . . 61.03 111.028 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -81.63 129.48 34.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 0.759 . . . . 75.42 110.316 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 71.62 37.36 1.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 64.43 110.286 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . -123.32 -115.88 2.24 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.512 1.132 . . . . 71.14 110.964 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 820' ' ' TRP . . . . . 0.509 ' CZ3' ' CG ' ' A' ' 831' ' ' TRP . 1.1 p-90 -142.84 120.31 11.69 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.006 -1.109 . . . . 74.54 108.006 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 821' ' ' TRP . . . . . 0.54 ' CD1' ' HD2' ' A' ' 814' ' ' LYS . 21.6 m0 -91.61 158.93 16.15 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.958 -1.127 . . . . 71.43 107.958 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 822' ' ' ARG . . . . . 0.566 ' HG3' ' CD1' ' A' ' 831' ' ' TRP . 44.4 ttp180 -117.65 119.6 35.46 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 75.14 110.318 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 823' ' ' GLY . . . . . 0.586 ' C ' HD11 ' A' ' 801' ' ' LEU . . . -136.93 -161.24 8.92 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.529 1.143 . . . . 71.11 110.999 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 824' ' ' GLU . . . . . 0.934 ' HB2' HD13 ' A' ' 829' ' ' ILE . 19.2 tt0 -152.4 158.61 42.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 0.769 . . . . 71.41 110.315 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 825' ' ' ILE . . . . . 0.559 HG22 ' CD2' ' A' ' 826' ' ' TYR . 2.0 mt -150.78 123.33 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 73.33 109.318 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 826' ' ' TYR . . . . . 0.559 ' CD2' HG22 ' A' ' 825' ' ' ILE . 6.7 m-85 60.12 26.79 16.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 73.41 110.956 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 827' ' ' GLY . . . . . 0.402 ' C ' ' OE2' ' A' ' 824' ' ' GLU . . . 89.9 -2.84 82.48 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.476 1.11 . . . . 62.11 110.995 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . 0.406 ' O ' ' HA ' ' A' ' 824' ' ' GLU . 34.1 mtt180 -87.06 111.97 21.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 0.749 . . . . 71.5 110.266 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 829' ' ' ILE . . . . . 0.934 HD13 ' HB2' ' A' ' 824' ' ' GLU . 3.2 mm -87.54 155.92 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 73.42 109.306 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 163.87 -170.67 39.25 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.472 1.108 . . . . 74.41 110.982 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 831' ' ' TRP . . . . . 0.566 ' CD1' ' HG3' ' A' ' 822' ' ' ARG . 14.0 m95 -123.7 -176.06 3.37 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.988 -1.116 . . . . 71.13 107.988 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 832' ' ' PHE . . . . . 0.798 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 34.9 p90 -178.36 160.93 1.18 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 53.24 110.99 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 833' ' ' PRO . . . . . 0.506 ' HG2' ' CG ' ' A' ' 836' ' ' TYR . 18.2 Cg_endo -75.03 148.59 35.37 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.475 1.776 . . . . 72.22 111.005 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 5.0 p -81.32 3.92 22.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 55.33 110.011 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -105.48 -0.04 26.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 72.15 109.267 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 836' ' ' TYR . . . . . 0.506 ' CG ' ' HG2' ' A' ' 833' ' ' PRO . 6.8 m-85 -116.34 8.46 14.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 70.53 111.011 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . 0.74 HG21 ' CE2' ' A' ' 832' ' ' PHE . 6.6 m -151.65 163.91 2.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 72.43 109.301 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 838' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -135.93 129.74 32.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 71.02 110.294 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 839' ' ' GLU . . . . . 0.402 ' C ' ' CD ' ' A' ' 839' ' ' GLU . 0.1 OUTLIER -120.16 169.02 10.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 63.55 110.253 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 16.8 t0 54.87 28.71 10.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 64.21 109.326 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 841' ' ' TYR . . . . . 0.407 ' CE1' ' OG ' ' A' ' 842' ' ' SER . 37.1 p90 -85.2 -32.77 22.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 74.44 111.013 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 842' ' ' SER . . . . . 0.407 ' OG ' ' CE1' ' A' ' 841' ' ' TYR . 83.0 p -156.3 154.99 31.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.147 . . . . 74.31 109.981 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -140.83 126.0 18.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 73.31 110.277 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 844' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -118.03 46.77 1.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 75.55 111.027 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 845' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 845' ' ' LEU . 27.9 mt -53.71 159.01 2.77 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 64.11 109.327 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 846' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 162.87 36.51 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.522 1.801 . . . . 74.22 110.995 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -74.74 -179.28 4.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 75.4 110.311 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 848' ' ' THR . . . . . . . . . . . . . 9.6 m . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 75.22 110.408 -179.959 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.014 -0.835 . . . . 65.55 111.014 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 781' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 158.06 42.38 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.431 1.753 . . . . 74.0 111.014 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 782' ' ' GLY . . . . . . . . . . . . . . . -89.87 -115.34 1.59 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.449 1.093 . . . . 73.22 111.021 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 783' ' ' THR . . . . . . . . . . . . . 4.3 m 71.0 35.14 1.71 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 0.756 . . . . 61.24 110.352 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 784' ' ' PHE . . . . . 0.547 ' CE1' ' HB2' ' A' ' 814' ' ' LYS . 23.2 m-85 -100.88 174.19 6.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 72.02 111.019 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 785' ' ' GLY . . . . . 0.524 ' O ' HG23 ' A' ' 786' ' ' THR . . . -145.12 -94.13 0.17 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.487 1.117 . . . . 74.11 111.0 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 786' ' ' THR . . . . . 0.524 HG23 ' O ' ' A' ' 785' ' ' GLY . 2.4 p -154.78 172.83 17.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 0.767 . . . . 65.34 110.448 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 787' ' ' ALA . . . . . 0.745 ' HB2' HD11 ' A' ' 811' ' ' ILE . . . -146.28 104.52 3.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 63.2 109.315 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 788' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 838' ' ' GLU . 36.2 tttt -65.38 132.63 49.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 52.53 109.288 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . 0.451 ' HB2' ' CD1' ' A' ' 809' ' ' ILE . . . -77.34 127.36 32.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 72.13 109.281 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 790' ' ' ARG . . . . . 0.475 ' C ' ' CG ' ' A' ' 791' ' ' TYR . 17.7 mmm180 -99.56 -2.32 36.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 63.33 110.286 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 791' ' ' TYR . . . . . 0.475 ' CG ' ' C ' ' A' ' 790' ' ' ARG . 51.0 m-85 -159.17 128.73 5.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 74.41 111.008 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 19.2 p-10 -64.88 115.89 5.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 71.43 109.311 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 793' ' ' PHE . . . . . 0.464 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.1 t80 -104.85 125.4 50.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 75.43 110.981 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 5.0 t -92.72 103.48 15.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 62.4 108.275 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -61.25 105.59 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 74.43 109.292 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 4.5 ptm85 -56.56 -21.36 25.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 73.44 110.342 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -157.01 -178.92 7.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 70.24 109.312 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 7.5 tpt85 -72.3 -6.01 40.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 70.53 110.3 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 2.4 p -80.24 -11.63 59.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 75.24 109.962 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -117.72 150.41 39.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 74.44 110.318 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 801' ' ' LEU . . . . . 0.639 HD23 ' H ' ' A' ' 802' ' ' SER . 0.8 OUTLIER -88.69 139.63 30.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 74.24 109.295 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 802' ' ' SER . . . . . 0.639 ' H ' HD23 ' A' ' 801' ' ' LEU . 1.3 t -81.73 108.29 15.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.158 . . . . 55.53 109.999 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 803' ' ' LEU . . . . . 0.563 HD11 HG12 ' A' ' 809' ' ' ILE . 0.8 OUTLIER -97.0 157.63 15.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 74.1 109.321 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 804' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 805' ' ' GLU . 8.1 tmtt? -156.87 110.86 2.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 74.21 109.284 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 805' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 804' ' ' LYS . 10.3 mt-10 -38.85 134.27 1.01 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 53.44 110.257 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 92.16 -9.33 76.56 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.477 1.111 . . . . 64.03 111.018 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -96.8 163.65 12.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 73.42 109.314 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 808' ' ' ILE . . . . . 0.664 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -116.09 135.67 55.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 65.34 109.221 -179.933 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 809' ' ' ILE . . . . . 0.906 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.3 mp -102.23 113.81 39.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 72.4 109.256 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 810' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 811' ' ' ILE . 11.7 tptt -66.54 114.88 5.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 72.11 109.331 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 811' ' ' ILE . . . . . 0.745 HD11 ' HB2' ' A' ' 787' ' ' ALA . 3.8 mm -78.38 131.76 33.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 62.33 109.296 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 812' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.97 -43.98 2.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 72.45 109.296 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -133.12 145.49 50.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 73.13 109.299 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 814' ' ' LYS . . . . . 0.586 ' HA ' ' CD1' ' A' ' 821' ' ' TRP . 13.3 mtmt -134.86 90.23 2.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 73.31 109.326 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . 0.522 ' HZ2' ' HA ' ' A' ' 815' ' ' LYS . 0.0 OUTLIER -40.52 -34.99 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 71.32 109.311 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 816' ' ' GLY . . . . . . . . . . . . . . . 102.84 -37.83 3.51 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 42.33 111.025 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 22.3 mp0 -69.1 -177.15 1.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.761 . . . . 75.34 110.263 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -94.28 31.05 1.78 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 74.45 110.273 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . -84.45 -96.86 0.65 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 61.23 111.033 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 820' ' ' TRP . . . . . 0.732 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.37 172.89 12.07 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.012 -1.107 . . . . 64.14 108.012 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 821' ' ' TRP . . . . . 0.586 ' CD1' ' HA ' ' A' ' 814' ' ' LYS . 12.0 m0 -130.3 140.58 50.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 71.14 108.016 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 822' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -89.12 127.33 35.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 71.22 110.29 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -151.56 -166.1 13.61 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.525 1.141 . . . . 72.23 111.004 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 824' ' ' GLU . . . . . 0.913 ' HB2' HD13 ' A' ' 829' ' ' ILE . 19.9 tt0 -157.8 159.44 36.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 0.768 . . . . 72.52 110.276 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 825' ' ' ILE . . . . . 0.563 HG22 ' CD2' ' A' ' 826' ' ' TYR . 2.8 mt -151.88 133.8 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 72.21 109.272 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 826' ' ' TYR . . . . . 0.563 ' CD2' HG22 ' A' ' 825' ' ' ILE . 19.0 m-85 56.69 16.78 2.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 75.4 111.011 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 91.31 20.66 37.62 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.455 1.097 . . . . 52.5 110.968 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . 0.418 ' N ' ' HG3' ' A' ' 824' ' ' GLU . 6.1 mmt85 -113.2 116.8 30.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 0.793 . . . . 74.44 110.278 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 829' ' ' ILE . . . . . 0.913 HD13 ' HB2' ' A' ' 824' ' ' GLU . 2.6 mm -87.19 152.7 3.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 74.2 109.314 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 177.95 -163.93 32.48 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.467 1.104 . . . . 53.53 110.965 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 831' ' ' TRP . . . . . 0.732 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 64.1 m95 -129.67 165.9 20.88 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.014 -1.106 . . . . 73.15 108.014 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 832' ' ' PHE . . . . . 0.906 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 29.8 p90 -174.1 154.14 2.12 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 73.24 110.966 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 833' ' ' PRO . . . . . 0.4 ' HG2' ' CD1' ' A' ' 836' ' ' TYR . 18.4 Cg_endo -75.04 147.57 33.95 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.494 1.786 . . . . 52.34 111.004 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . 0.562 ' HB2' ' CZ3' ' A' ' 821' ' ' TRP . 23.4 p -82.2 3.56 26.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 62.41 110.023 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -100.38 -6.28 25.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 74.4 109.283 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 836' ' ' TYR . . . . . 0.4 ' CD1' ' HG2' ' A' ' 833' ' ' PRO . 5.7 m-85 -108.25 -6.23 16.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 75.01 111.03 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . 0.713 HG21 ' HE2' ' A' ' 832' ' ' PHE . 16.1 m -122.74 176.54 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 64.12 109.362 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 838' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 788' ' ' LYS . 7.3 mt-10 -111.01 178.65 4.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 64.15 110.3 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 839' ' ' GLU . . . . . 0.436 ' C ' ' N ' ' A' ' 841' ' ' TYR . 19.5 mp0 -151.42 131.2 13.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 72.14 110.294 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 42.4 t0 40.98 29.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 73.15 109.292 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 841' ' ' TYR . . . . . 0.436 ' N ' ' C ' ' A' ' 839' ' ' GLU . 9.8 p90 -51.26 -37.6 48.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 63.03 111.057 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 842' ' ' SER . . . . . 0.424 ' N ' ' CD1' ' A' ' 841' ' ' TYR . 53.0 p -155.39 160.71 40.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 53.24 110.016 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 843' ' ' GLU . . . . . 0.492 ' HB3' HD23 ' A' ' 845' ' ' LEU . 16.6 mt-10 -101.19 137.71 39.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 70.32 110.29 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 844' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -123.25 51.88 1.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 63.21 111.0 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 845' ' ' LEU . . . . . 0.492 HD23 ' HB3' ' A' ' 843' ' ' GLU . 2.7 mm? -65.25 158.82 70.34 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 71.42 109.269 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 846' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 162.58 36.87 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.52 1.8 . . . . 62.31 111.013 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -68.87 -19.33 64.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.153 . . . . 72.15 110.324 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 848' ' ' THR . . . . . . . . . . . . . 21.7 m . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 75.43 110.351 -179.982 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.985 -0.846 . . . . 43.44 110.985 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 781' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 93.88 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.456 1.766 . . . . 73.22 110.963 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 782' ' ' GLY . . . . . . . . . . . . . . . 158.68 117.68 0.5 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.449 1.093 . . . . 42.22 111.016 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 783' ' ' THR . . . . . 0.429 HG22 ' H ' ' A' ' 785' ' ' GLY . 43.8 m -73.08 -60.86 2.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 0.776 . . . . 74.34 110.442 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 784' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 814' ' ' LYS . 3.6 m-85 52.71 30.83 9.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 71.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 785' ' ' GLY . . . . . 0.532 ' O ' HG23 ' A' ' 786' ' ' THR . . . -74.92 -82.75 0.42 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.13 . . . . 43.32 111.001 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 786' ' ' THR . . . . . 0.532 HG23 ' O ' ' A' ' 785' ' ' GLY . 3.1 p -155.38 170.31 22.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 0.792 . . . . 64.25 110.443 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 787' ' ' ALA . . . . . 0.842 ' HB2' HD11 ' A' ' 811' ' ' ILE . . . -145.51 105.0 3.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 54.33 109.328 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 788' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 838' ' ' GLU . 12.7 tttt -68.32 122.76 19.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 72.32 109.29 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . 0.478 ' HB2' ' CD1' ' A' ' 809' ' ' ILE . . . -71.82 138.3 48.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 74.35 109.306 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 790' ' ' ARG . . . . . 0.415 ' C ' ' CG ' ' A' ' 791' ' ' TYR . 6.3 mmp_? -107.59 -2.84 19.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.087 . . . . 74.32 110.31 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 791' ' ' TYR . . . . . 0.425 ' CA ' ' HG3' ' A' ' 805' ' ' GLU . 67.9 m-85 -156.66 128.44 7.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 71.15 111.022 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -64.28 123.19 18.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 74.41 109.272 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 793' ' ' PHE . . . . . 0.464 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.1 t80 -111.05 113.27 25.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.15 . . . . 74.52 111.017 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 14.6 t -81.97 107.22 14.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 63.3 108.278 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . 0.437 ' HB1' ' HB3' ' A' ' 800' ' ' GLU . . . -68.83 138.67 54.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 44.22 109.319 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.52 -12.08 12.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 74.34 110.296 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -140.17 155.37 46.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 74.54 109.294 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 798' ' ' ARG . . . . . 0.419 ' N ' ' HD3' ' A' ' 798' ' ' ARG . 0.0 OUTLIER -63.57 -12.45 32.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 74.11 110.273 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 88.5 p -86.77 7.87 25.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 65.35 110.021 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 800' ' ' GLU . . . . . 0.437 ' HB3' ' HB1' ' A' ' 795' ' ' ALA . 1.7 tp10 -122.87 151.91 41.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 74.5 110.277 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 801' ' ' LEU . . . . . 0.626 HD23 ' H ' ' A' ' 802' ' ' SER . 0.9 OUTLIER -101.9 138.39 38.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 74.14 109.35 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 802' ' ' SER . . . . . 0.626 ' H ' HD23 ' A' ' 801' ' ' LEU . 1.0 OUTLIER -80.47 106.44 12.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 62.43 109.98 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 803' ' ' LEU . . . . . 0.464 ' HB2' ' CB ' ' A' ' 793' ' ' PHE . 0.9 OUTLIER -95.37 156.73 16.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 61.33 109.325 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -155.12 111.56 3.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 61.3 109.309 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 805' ' ' GLU . . . . . 0.425 ' HG3' ' CA ' ' A' ' 791' ' ' TYR . 5.6 mt-10 -38.91 136.53 0.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 71.33 110.321 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 85.86 5.31 83.94 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.462 1.101 . . . . 54.1 111.022 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -108.53 165.24 11.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.765 . . . . 74.11 109.296 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 808' ' ' ILE . . . . . 0.684 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -116.29 138.2 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 61.34 109.322 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 809' ' ' ILE . . . . . 0.926 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.4 mp -107.77 114.77 47.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 75.24 109.309 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 810' ' ' LYS . . . . . 0.405 ' HD2' ' N ' ' A' ' 811' ' ' ILE . 22.1 tptt -68.9 113.41 6.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 74.01 109.266 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 811' ' ' ILE . . . . . 0.842 HD11 ' HB2' ' A' ' 787' ' ' ALA . 3.0 mm -72.89 121.69 24.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 60.43 109.321 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 812' ' ' LEU . . . . . 0.458 HD12 ' CA ' ' A' ' 823' ' ' GLY . 1.4 mt -112.74 -48.98 2.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 63.12 109.299 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -121.82 152.03 39.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 75.2 109.336 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 814' ' ' LYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 784' ' ' PHE . 8.7 mtmt -136.99 81.18 1.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 73.32 109.292 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 18.6 mmmt -40.32 -30.01 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 74.24 109.304 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 816' ' ' GLY . . . . . 0.448 ' N ' ' C ' ' A' ' 814' ' ' LYS . . . 99.59 -66.98 0.6 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.466 1.104 . . . . 34.1 111.007 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -46.6 172.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 0.743 . . . . 72.52 110.303 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -86.94 44.79 1.2 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 75.4 110.32 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . -96.71 -92.42 1.84 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.462 1.101 . . . . 61.33 111.03 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 820' ' ' TRP . . . . . 0.693 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.38 172.7 12.33 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.01 -1.108 . . . . 75.13 108.01 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 821' ' ' TRP . . . . . 0.549 ' O ' ' CE1' ' A' ' 832' ' ' PHE . 11.1 m0 -133.03 139.18 47.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 75.42 107.984 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 822' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -81.78 141.71 33.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 74.35 110.278 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 823' ' ' GLY . . . . . 0.458 ' CA ' HD12 ' A' ' 812' ' ' LEU . . . -166.2 -164.24 21.35 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.472 1.107 . . . . 71.41 111.021 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 824' ' ' GLU . . . . . 0.952 ' HB2' HD13 ' A' ' 829' ' ' ILE . 19.6 tt0 -161.23 159.12 28.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 0.748 . . . . 74.44 110.34 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 825' ' ' ILE . . . . . 0.565 HG22 ' CD2' ' A' ' 826' ' ' TYR . 2.9 mt -151.94 135.21 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 64.22 109.319 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 826' ' ' TYR . . . . . 0.565 ' CD2' HG22 ' A' ' 825' ' ' ILE . 22.1 m-85 56.07 16.93 2.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 73.24 110.994 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 90.52 22.04 35.52 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.49 1.119 . . . . 62.3 111.018 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . 0.416 ' N ' ' HG3' ' A' ' 824' ' ' GLU . 13.1 mmt-85 -114.94 117.78 31.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 0.773 . . . . 63.34 110.332 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 829' ' ' ILE . . . . . 0.952 HD13 ' HB2' ' A' ' 824' ' ' GLU . 2.9 mm -87.25 152.4 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 72.12 109.281 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 177.16 -164.53 33.92 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 51.34 110.992 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 831' ' ' TRP . . . . . 0.693 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 56.4 m95 -129.21 157.2 42.51 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.001 -1.111 . . . . 74.41 108.001 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 832' ' ' PHE . . . . . 0.926 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 31.8 p90 -161.81 153.25 15.59 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 74.1 111.007 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 147.95 34.65 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.522 1.801 . . . . 72.22 111.026 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . 0.514 ' OG ' ' CZ3' ' A' ' 821' ' ' TRP . 30.3 t -85.16 3.44 39.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 73.12 109.989 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -96.97 -7.88 31.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 60.45 109.321 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -111.87 -9.6 14.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 64.42 110.978 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . 0.836 HG21 ' HE2' ' A' ' 832' ' ' PHE . 15.6 m -122.18 161.68 22.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 74.11 109.283 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 838' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 788' ' ' LYS . 47.3 mm-40 -134.0 123.66 24.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.093 . . . . 75.04 110.303 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 839' ' ' GLU . . . . . 0.485 ' OE2' ' CH2' ' A' ' 821' ' ' TRP . 1.3 pt-20 -113.55 -179.6 3.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 72.31 110.271 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 58.6 t0 41.19 51.59 3.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 51.35 109.307 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 841' ' ' TYR . . . . . 0.499 ' CD1' ' N ' ' A' ' 842' ' ' SER . 19.9 p90 -106.13 -34.41 7.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 74.24 110.989 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 842' ' ' SER . . . . . 0.499 ' N ' ' CD1' ' A' ' 841' ' ' TYR . 26.1 p -154.22 137.8 16.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 75.13 110.008 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -106.49 -177.88 3.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 72.23 110.306 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 844' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -104.32 46.56 0.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 74.31 111.036 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 845' ' ' LEU . . . . . 0.438 HD13 ' HA ' ' A' ' 845' ' ' LEU . 4.0 mm? -41.66 155.91 0.22 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 72.04 109.343 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 846' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 137.17 21.3 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.492 1.785 . . . . 74.34 111.012 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 33.6 mp0 -78.19 170.92 15.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 71.55 110.293 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 848' ' ' THR . . . . . . . . . . . . . 38.0 p . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 73.42 110.401 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.003 -0.839 . . . . 72.32 111.003 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 781' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 150.84 38.83 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.532 1.806 . . . . 72.2 111.001 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 782' ' ' GLY . . . . . . . . . . . . . . . -149.52 -177.74 23.88 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.518 1.136 . . . . 41.32 110.988 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 783' ' ' THR . . . . . . . . . . . . . 6.3 m -122.23 -68.63 0.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.76 . . . . 75.03 110.445 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 784' ' ' PHE . . . . . 0.444 ' CE1' ' HE3' ' A' ' 814' ' ' LYS . 31.4 m-85 -77.5 170.09 17.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 64.44 111.026 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . -128.42 -114.92 1.82 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.545 1.153 . . . . 74.1 110.954 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 786' ' ' THR . . . . . 0.475 HG22 ' HA ' ' A' ' 810' ' ' LYS . 2.9 p -133.56 172.59 12.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 0.758 . . . . 74.54 110.38 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 787' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 838' ' ' GLU . . . -134.7 106.53 6.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 70.35 109.28 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 788' ' ' LYS . . . . . 0.559 ' HB2' ' CE2' ' A' ' 841' ' ' TYR . 8.4 tttt -68.49 121.88 17.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 42.52 109.3 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -72.06 128.41 35.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 64.2 109.301 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 790' ' ' ARG . . . . . 0.482 ' HB2' ' CE2' ' A' ' 791' ' ' TYR . 16.0 mmm180 -97.8 -4.77 36.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 75.25 110.268 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 791' ' ' TYR . . . . . 0.482 ' CE2' ' HB2' ' A' ' 790' ' ' ARG . 26.3 m-85 -154.62 129.01 9.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 72.54 110.994 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -64.01 123.22 18.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 64.53 109.303 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 793' ' ' PHE . . . . . 0.465 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.1 t80 -111.34 114.06 26.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 75.22 110.97 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 33.8 m -80.08 125.2 29.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 72.33 108.31 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -86.63 140.1 30.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 62.12 109.331 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.91 -9.91 11.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 75.24 110.333 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -154.8 166.22 34.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 75.44 109.32 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 1.3 ptp85 -65.4 -13.2 58.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 70.33 110.318 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 93.4 p -83.83 7.78 16.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 71.34 109.999 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -128.06 152.91 47.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 60.0 110.312 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 801' ' ' LEU . . . . . 0.449 HD23 ' N ' ' A' ' 802' ' ' SER . 1.0 OUTLIER -107.39 135.11 49.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 50.03 109.308 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 802' ' ' SER . . . . . 0.449 ' N ' HD23 ' A' ' 801' ' ' LEU . 0.9 OUTLIER -79.03 105.68 10.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 52.14 109.99 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 803' ' ' LEU . . . . . 0.532 ' HG ' HD11 ' A' ' 809' ' ' ILE . 1.7 mp -97.51 161.83 13.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 75.14 109.295 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -158.09 110.7 2.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 64.2 109.309 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -38.79 133.82 1.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 74.13 110.31 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 90.59 -2.36 80.29 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.534 1.146 . . . . 42.13 110.997 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -100.24 165.61 11.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 0.763 . . . . 72.43 109.281 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 808' ' ' ILE . . . . . 0.591 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -117.23 141.27 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 63.21 109.287 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 809' ' ' ILE . . . . . 0.963 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.7 mp -106.34 114.59 45.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 73.35 109.291 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 810' ' ' LYS . . . . . 0.475 ' HA ' HG22 ' A' ' 786' ' ' THR . 15.2 tptt -75.01 115.12 14.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 63.13 109.275 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 811' ' ' ILE . . . . . 0.469 ' CG2' ' HB2' ' A' ' 814' ' ' LYS . 2.8 mm -72.33 139.04 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 73.13 109.278 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 812' ' ' LEU . . . . . 0.464 HD21 ' HG3' ' A' ' 810' ' ' LYS . 0.7 OUTLIER -132.53 -55.53 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 74.12 109.274 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 813' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' A' ' 815' ' ' LYS . 10.0 t-20 -83.64 -76.52 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 74.12 109.326 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 814' ' ' LYS . . . . . 0.592 ' HA ' ' CD1' ' A' ' 821' ' ' TRP . 6.2 tmtt? 69.11 65.85 0.28 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 72.41 109.283 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . 0.515 ' NZ ' ' CD1' ' A' ' 820' ' ' TRP . 18.1 mtmm -51.61 -22.35 3.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 74.04 109.262 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 816' ' ' GLY . . . . . . . . . . . . . . . 87.94 -51.25 4.03 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.444 1.09 . . . . 73.34 111.029 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -43.4 154.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 0.783 . . . . 75.13 110.319 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -76.41 56.53 1.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 74.44 110.303 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . -119.36 -92.53 1.42 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 73.25 110.988 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 820' ' ' TRP . . . . . 0.736 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.4 172.75 12.26 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.96 -1.126 . . . . 74.23 107.96 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 821' ' ' TRP . . . . . 0.596 ' O ' ' CD1' ' A' ' 832' ' ' PHE . 14.0 m0 -126.72 138.94 53.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 73.05 107.975 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 822' ' ' ARG . . . . . 0.519 ' HG3' ' CE2' ' A' ' 831' ' ' TRP . 5.5 ttt180 -98.06 93.63 6.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 61.33 110.339 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -116.33 -156.86 10.88 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.55 1.156 . . . . 51.24 111.013 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 824' ' ' GLU . . . . . 0.897 ' HB2' HD13 ' A' ' 829' ' ' ILE . 0.5 OUTLIER -160.14 150.78 18.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 0.781 . . . . 63.31 110.293 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 825' ' ' ILE . . . . . 0.484 ' CD1' ' O ' ' A' ' 808' ' ' ILE . 3.3 mt -140.0 128.79 26.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 75.15 109.312 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 826' ' ' TYR . . . . . 0.582 ' HD2' HH21 ' A' ' 828' ' ' ARG . 4.8 m-30 58.63 23.0 10.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 74.04 110.963 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 87.76 12.93 65.72 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.475 1.109 . . . . 61.31 110.979 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . 0.582 HH21 ' HD2' ' A' ' 826' ' ' TYR . 65.0 mtm180 -104.41 117.04 33.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 0.756 . . . . 75.41 110.305 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 829' ' ' ILE . . . . . 0.897 HD13 ' HB2' ' A' ' 824' ' ' GLU . 2.5 mm -87.32 157.34 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 71.14 109.283 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 830' ' ' GLY . . . . . 0.405 ' CA ' ' HG ' ' A' ' 801' ' ' LEU . . . 169.33 -177.24 43.06 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.468 1.105 . . . . 64.0 110.96 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 831' ' ' TRP . . . . . 0.736 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 75.5 m95 -114.52 146.74 40.35 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.962 -1.125 . . . . 61.43 107.962 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 832' ' ' PHE . . . . . 0.963 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 32.5 p90 -152.19 151.29 27.35 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 73.55 111.0 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 147.48 34.07 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.51 1.795 . . . . 53.2 110.977 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . 0.486 ' HA ' HG22 ' A' ' 837' ' ' VAL . 23.3 p -87.17 -5.26 59.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 52.12 110.029 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -94.31 1.76 55.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 71.22 109.299 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -118.8 -8.0 10.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 65.44 111.028 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . 0.845 HG21 ' HE2' ' A' ' 832' ' ' PHE . 31.0 m -117.68 174.89 3.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 71.43 109.303 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 838' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 788' ' ' LYS . 14.1 mt-10 -109.76 178.11 4.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 75.43 110.314 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 839' ' ' GLU . . . . . 0.437 ' C ' ' N ' ' A' ' 841' ' ' TYR . 6.9 mp0 -151.55 128.34 10.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 74.14 110.311 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 34.3 t70 42.18 28.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 60.23 109.334 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 841' ' ' TYR . . . . . 0.559 ' CE2' ' HB2' ' A' ' 788' ' ' LYS . 4.1 p90 -44.78 -37.26 3.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.112 . . . . 53.42 111.024 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 842' ' ' SER . . . . . . . . . . . . . 53.0 p -150.79 152.32 33.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 75.24 110.002 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -97.03 117.63 31.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 75.31 110.278 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 844' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -89.18 37.1 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 62.52 111.015 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 845' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.16 163.39 0.35 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 65.5 109.334 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 846' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 146.62 32.94 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.497 1.788 . . . . 72.33 110.994 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -65.19 159.66 23.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 73.12 110.309 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 848' ' ' THR . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 72.05 110.386 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.023 -0.831 . . . . 71.24 111.023 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 781' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -178.26 4.04 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.462 1.769 . . . . 71.04 111.023 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 782' ' ' GLY . . . . . . . . . . . . . . . -143.73 124.39 2.26 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.497 1.123 . . . . 74.34 111.025 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 783' ' ' THR . . . . . . . . . . . . . 7.4 m -51.0 127.25 18.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 0.727 . . . . 75.53 110.389 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 784' ' ' PHE . . . . . 0.48 ' CD2' ' HE3' ' A' ' 814' ' ' LYS . 11.9 m-85 -73.35 166.14 23.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 70.51 111.001 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . -150.96 -62.15 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.465 1.103 . . . . 71.44 110.984 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 2.3 p -150.44 167.59 26.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 0.756 . . . . 72.1 110.379 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 787' ' ' ALA . . . . . 0.525 ' HB1' ' O ' ' A' ' 838' ' ' GLU . . . -136.34 118.71 15.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 44.34 109.309 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 788' ' ' LYS . . . . . . . . . . . . . 10.6 tttt -78.39 119.98 22.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 73.51 109.305 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . 0.464 ' HB2' ' CD1' ' A' ' 809' ' ' ILE . . . -65.27 136.69 56.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 74.24 109.285 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 790' ' ' ARG . . . . . 0.596 ' C ' ' CD1' ' A' ' 791' ' ' TYR . 40.3 mmm-85 -117.28 7.35 12.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.085 . . . . 75.42 110.336 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 791' ' ' TYR . . . . . 0.596 ' CD1' ' C ' ' A' ' 790' ' ' ARG . 31.8 m-85 -151.61 138.17 18.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 53.42 111.002 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -73.92 117.17 15.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 73.25 109.324 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 793' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -126.55 113.7 17.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 75.23 110.963 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 81.2 m -84.37 143.05 29.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 73.34 108.308 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -99.37 101.86 13.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 70.44 109.306 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 8.6 mmt85 -50.7 -27.77 7.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 64.21 110.304 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -157.07 -176.75 6.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 74.42 109.341 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -69.2 -7.42 36.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 73.12 110.272 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 3.3 p -74.25 -18.56 60.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.457 1.098 . . . . 74.32 110.007 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -115.17 149.77 37.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 70.42 110.278 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 801' ' ' LEU . . . . . 0.643 HD23 ' N ' ' A' ' 802' ' ' SER . 1.0 OUTLIER -84.37 132.94 34.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 73.32 109.321 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 802' ' ' SER . . . . . 0.643 ' N ' HD23 ' A' ' 801' ' ' LEU . 0.1 OUTLIER -71.16 99.85 1.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 74.03 110.003 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 803' ' ' LEU . . . . . 0.525 HD21 ' CG1' ' A' ' 837' ' ' VAL . 2.0 tp -96.12 146.62 24.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 51.12 109.286 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.51 109.88 2.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 60.4 109.3 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 805' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 791' ' ' TYR . 3.2 mt-10 -39.63 145.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 74.44 110.26 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 81.41 17.66 70.74 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.515 1.134 . . . . 75.21 111.012 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -129.73 164.95 22.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.777 . . . . 45.0 109.329 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 808' ' ' ILE . . . . . 0.765 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -108.7 152.82 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 73.42 109.318 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 809' ' ' ILE . . . . . 0.872 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.3 mp -118.38 115.24 47.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 63.4 109.275 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 810' ' ' LYS . . . . . . . . . . . . . 25.4 tptt -75.1 112.92 11.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 72.0 109.343 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 811' ' ' ILE . . . . . . . . . . . . . 2.9 mm -71.99 119.21 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 52.03 109.282 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 812' ' ' LEU . . . . . 0.826 ' CB ' HH21 ' A' ' 822' ' ' ARG . 1.2 mt -111.95 -51.58 2.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 74.15 109.323 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 813' ' ' ASN . . . . . 0.47 ' CB ' ' HB3' ' A' ' 822' ' ' ARG . 0.4 OUTLIER -121.36 141.11 51.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 73.44 109.256 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 814' ' ' LYS . . . . . 0.523 ' HG3' ' CD1' ' A' ' 821' ' ' TRP . 0.0 OUTLIER -123.09 76.99 1.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 54.25 109.32 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . 0.487 ' HA ' ' CE ' ' A' ' 815' ' ' LYS . 0.0 OUTLIER -58.82 -75.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 72.14 109.297 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 816' ' ' GLY . . . . . 0.449 ' O ' ' NE1' ' A' ' 821' ' ' TRP . . . -118.76 154.19 16.61 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.503 1.127 . . . . 65.22 111.034 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -84.48 -17.68 38.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 0.744 . . . . 73.21 110.316 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -114.38 -14.77 12.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 73.52 110.271 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . -81.79 -104.36 0.39 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.458 1.099 . . . . 64.4 110.996 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 820' ' ' TRP . . . . . 0.711 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.42 172.32 12.86 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.027 -1.101 . . . . 73.13 108.027 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 821' ' ' TRP . . . . . 0.595 ' O ' ' CE1' ' A' ' 832' ' ' PHE . 17.8 m0 -132.35 136.34 46.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 73.43 107.983 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 822' ' ' ARG . . . . . 0.826 HH21 ' CB ' ' A' ' 812' ' ' LEU . 8.6 ttp180 -84.5 118.88 24.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 70.3 110.307 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -140.43 -159.4 7.93 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.571 1.17 . . . . 71.4 111.027 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 824' ' ' GLU . . . . . 0.932 ' HB2' HD13 ' A' ' 829' ' ' ILE . 20.7 tt0 -158.36 159.43 35.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.77 . . . . 71.53 110.319 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 825' ' ' ILE . . . . . 0.489 ' N ' ' CG ' ' A' ' 824' ' ' GLU . 2.3 mt -152.18 130.55 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 72.33 109.308 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 55.4 26.84 9.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 74.41 110.98 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 83.27 18.58 64.3 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.468 1.105 . . . . 74.5 110.99 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 824' ' ' GLU . 59.9 mtt180 -109.33 113.18 25.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 0.761 . . . . 65.31 110.304 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 829' ' ' ILE . . . . . 0.932 HD13 ' HB2' ' A' ' 824' ' ' GLU . 2.6 mm -87.38 158.53 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 73.44 109.315 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 164.79 -160.61 33.84 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.501 1.125 . . . . 74.01 110.964 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 831' ' ' TRP . . . . . 0.711 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 49.5 m95 -127.63 144.83 51.04 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.999 -1.111 . . . . 74.51 107.999 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 832' ' ' PHE . . . . . 0.872 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 38.1 p90 -144.0 148.47 42.12 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 74.14 111.015 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 833' ' ' PRO . . . . . 0.511 ' HG2' ' CD1' ' A' ' 836' ' ' TYR . 18.4 Cg_endo -75.0 147.66 34.21 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.532 1.806 . . . . 71.32 110.995 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . 0.559 ' HB2' ' CZ3' ' A' ' 821' ' ' TRP . 79.1 p -82.83 3.82 27.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 71.14 110.007 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -95.38 -15.1 23.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 73.34 109.328 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 836' ' ' TYR . . . . . 0.511 ' CD1' ' HG2' ' A' ' 833' ' ' PRO . 7.9 m-85 -114.36 30.42 7.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 75.21 110.991 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . 0.72 HG21 ' HE2' ' A' ' 832' ' ' PHE . 26.8 m -155.2 161.45 2.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 74.22 109.309 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 838' ' ' GLU . . . . . 0.525 ' O ' ' HB1' ' A' ' 787' ' ' ALA . 12.6 mt-10 -100.83 179.37 4.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 71.53 110.319 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 839' ' ' GLU . . . . . 0.601 ' OE2' HG23 ' A' ' 837' ' ' VAL . 19.2 mp0 -154.79 129.89 9.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 72.25 110.303 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 33.5 t70 41.64 29.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 50.24 109.319 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 841' ' ' TYR . . . . . 0.434 ' N ' ' C ' ' A' ' 839' ' ' GLU . 8.2 p90 -49.86 -33.59 17.49 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.453 1.096 . . . . 71.43 110.961 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 842' ' ' SER . . . . . . . . . . . . . 4.6 p -153.79 119.35 5.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 74.24 109.988 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -93.08 150.21 20.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 73.22 110.278 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 844' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 66.64 51.0 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 74.32 110.995 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 845' ' ' LEU . . . . . . . . . . . . . 17.7 mt -49.4 161.03 0.5 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 74.2 109.291 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 846' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 141.05 26.13 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.491 1.785 . . . . 71.5 110.983 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -75.36 -16.65 60.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 71.12 110.264 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 848' ' ' THR . . . . . . . . . . . . . 23.9 m . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 74.22 110.375 179.994 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 N-CA-C 111.049 -0.82 . . . . 72.53 111.049 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 781' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -7.34 19.1 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.477 1.777 . . . . 74.13 111.003 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 782' ' ' GLY . . . . . . . . . . . . . . . -105.36 32.29 7.62 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.544 1.152 . . . . 53.45 111.026 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 783' ' ' THR . . . . . . . . . . . . . 23.3 m -38.99 130.31 1.51 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.441 0.73 . . . . 71.34 110.422 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 784' ' ' PHE . . . . . 0.552 ' CE2' ' HD2' ' A' ' 814' ' ' LYS . 20.3 m-85 -67.11 -65.54 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 74.04 110.959 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 785' ' ' GLY . . . . . 0.509 ' O ' HG23 ' A' ' 786' ' ' THR . . . 165.01 -102.2 0.19 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 70.43 111.011 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 786' ' ' THR . . . . . 0.509 HG23 ' O ' ' A' ' 785' ' ' GLY . 2.5 p -154.46 174.08 15.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 0.762 . . . . 71.01 110.373 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 787' ' ' ALA . . . . . 0.696 ' HB2' HD11 ' A' ' 811' ' ' ILE . . . -144.49 105.32 4.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 31.12 109.289 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 788' ' ' LYS . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 841' ' ' TYR . 12.4 tttt -69.36 117.01 10.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 64.12 109.337 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . 0.537 ' HB2' ' CD1' ' A' ' 809' ' ' ILE . . . -63.5 133.38 53.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 62.22 109.327 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 790' ' ' ARG . . . . . 0.548 ' C ' ' CD1' ' A' ' 791' ' ' TYR . 32.0 mmm-85 -107.04 -1.43 22.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 75.33 110.314 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 791' ' ' TYR . . . . . 0.548 ' CD1' ' C ' ' A' ' 790' ' ' ARG . 62.2 m-85 -159.53 128.46 5.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 72.13 110.993 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -61.97 116.17 4.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 54.53 109.269 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 793' ' ' PHE . . . . . 0.425 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.2 t80 -107.84 114.08 27.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 72.42 110.975 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 41.4 t -81.38 108.68 15.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 70.23 108.296 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -69.94 104.13 2.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 44.11 109.296 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 11.1 ptt180 -56.51 -19.91 17.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 74.55 110.264 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -163.41 171.94 15.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 63.23 109.241 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -15.97 16.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 73.42 110.312 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 1.7 p -70.38 -7.58 44.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 73.51 110.024 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -125.49 150.02 47.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 73.45 110.312 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 801' ' ' LEU . . . . . 0.626 HD23 ' H ' ' A' ' 802' ' ' SER . 0.9 OUTLIER -88.52 138.06 31.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 61.03 109.331 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 802' ' ' SER . . . . . 0.626 ' H ' HD23 ' A' ' 801' ' ' LEU . 3.7 p -81.46 101.35 9.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 72.12 109.997 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 803' ' ' LEU . . . . . 0.597 HD11 HG12 ' A' ' 809' ' ' ILE . 0.5 OUTLIER -92.92 157.17 16.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 64.12 109.328 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 804' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 805' ' ' GLU . 7.7 tmtm? -156.63 111.24 2.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.472 1.108 . . . . 72.31 109.356 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 805' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 804' ' ' LYS . 7.6 mt-10 -38.86 133.42 1.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 74.31 110.292 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 90.43 -3.14 81.69 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.493 1.121 . . . . 42.12 110.964 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -104.45 159.74 15.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.777 . . . . 64.3 109.309 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 808' ' ' ILE . . . . . 0.723 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -110.64 139.99 31.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 64.4 109.32 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 809' ' ' ILE . . . . . 0.846 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.5 mp -105.61 113.83 43.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 62.54 109.263 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 810' ' ' LYS . . . . . 0.47 ' HG3' HD21 ' A' ' 812' ' ' LEU . 15.8 tptp -68.36 114.38 6.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 60.12 109.34 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 811' ' ' ILE . . . . . 0.696 HD11 ' HB2' ' A' ' 787' ' ' ALA . 3.5 mm -75.94 137.97 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 53.04 109.278 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 812' ' ' LEU . . . . . 0.47 HD21 ' HG3' ' A' ' 810' ' ' LYS . 2.1 mt -128.68 -48.0 1.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 61.01 109.295 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -134.36 141.1 46.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 52.03 109.32 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 814' ' ' LYS . . . . . 0.552 ' HD2' ' CE2' ' A' ' 784' ' ' PHE . 38.2 mttt -122.34 89.18 3.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 62.53 109.303 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt -40.82 -31.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 71.51 109.314 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 816' ' ' GLY . . . . . 0.404 ' N ' ' C ' ' A' ' 814' ' ' LYS . . . 164.87 -160.59 33.85 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.516 1.135 . . . . 54.42 110.948 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -99.82 6.35 45.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 0.774 . . . . 63.43 110.268 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 42.3 mm-40 -144.6 109.53 5.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 72.33 110.292 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . 142.96 -109.61 0.57 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.471 1.107 . . . . 63.14 110.979 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 820' ' ' TRP . . . . . 0.729 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.35 172.69 12.35 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.999 -1.111 . . . . 74.44 107.999 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 821' ' ' TRP . . . . . 0.557 ' CE3' ' HB2' ' A' ' 834' ' ' SER . 20.9 m0 -126.34 138.19 53.55 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.986 -1.116 . . . . 71.21 107.986 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 822' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -95.77 105.43 17.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 75.34 110.263 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -126.31 -154.53 8.67 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 73.22 110.96 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 824' ' ' GLU . . . . . 0.876 ' HB2' HD13 ' A' ' 829' ' ' ILE . 19.9 tt0 -164.14 159.1 19.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 0.75 . . . . 74.14 110.32 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 825' ' ' ILE . . . . . 0.519 HD11 ' O ' ' A' ' 808' ' ' ILE . 3.2 mt -151.19 129.87 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 74.54 109.298 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 9.0 m-30 57.85 21.86 8.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 73.52 110.973 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 88.13 15.69 60.42 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.467 1.104 . . . . 73.3 111.019 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . 0.413 ' O ' ' HA ' ' A' ' 824' ' ' GLU . 34.2 mtt85 -107.28 115.35 30.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.756 . . . . 71.44 110.269 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 829' ' ' ILE . . . . . 0.876 HD13 ' HB2' ' A' ' 824' ' ' GLU . 2.7 mm -87.34 156.2 3.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 64.31 109.294 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 174.0 -169.89 42.96 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 61.05 110.967 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 831' ' ' TRP . . . . . 0.729 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 60.7 m95 -127.2 145.78 50.64 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.018 -1.104 . . . . 75.15 108.018 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 832' ' ' PHE . . . . . 0.846 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 31.0 p90 -150.44 151.18 30.58 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 74.43 110.993 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 147.59 33.92 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.506 1.793 . . . . 74.12 110.972 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . 0.637 ' HA ' HG22 ' A' ' 837' ' ' VAL . 3.1 t -84.23 3.89 33.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 42.21 110.028 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -95.57 -12.46 25.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 72.11 109.319 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -110.24 -5.25 15.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 73.14 110.988 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . 0.817 HG21 ' HE2' ' A' ' 832' ' ' PHE . 21.0 m -121.88 179.3 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 72.42 109.291 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 838' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 788' ' ' LYS . 78.1 mt-10 -151.45 126.12 9.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 74.25 110.34 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 839' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 840' ' ' ASP . 0.0 OUTLIER -117.37 175.23 5.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 63.12 110.278 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 840' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 839' ' ' GLU . 46.7 t0 40.48 36.21 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 54.52 109.307 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 841' ' ' TYR . . . . . 0.519 ' CZ ' ' HB2' ' A' ' 788' ' ' LYS . 38.9 p90 -89.56 143.71 26.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 73.53 111.004 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 842' ' ' SER . . . . . . . . . . . . . 43.3 p -60.76 128.32 35.96 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.142 . . . . 72.4 109.965 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -91.18 167.55 12.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.403 1.064 . . . . 74.33 110.279 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 844' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -133.29 58.63 1.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 74.31 110.977 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 845' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 845' ' ' LEU . 21.1 mt -63.53 157.0 68.3 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 63.54 109.321 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 846' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 160.73 39.77 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.46 1.768 . . . . 70.34 111.027 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -81.56 148.27 29.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 71.14 110.304 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 848' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 72.22 110.399 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 N-CA-C 111.001 -0.84 . . . . 62.33 111.001 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 781' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -85.75 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.527 1.804 . . . . 64.21 110.975 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 782' ' ' GLY . . . . . . . . . . . . . . . -145.66 -129.21 2.07 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.135 . . . . 62.53 110.984 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 783' ' ' THR . . . . . . . . . . . . . 1.2 m -156.06 151.05 26.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 0.796 . . . . 74.44 110.378 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 784' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -124.0 -64.75 1.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.588 1.18 . . . . 72.12 110.974 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 785' ' ' GLY . . . . . 0.623 ' O ' HG23 ' A' ' 786' ' ' THR . . . -175.21 -108.7 0.23 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.484 1.115 . . . . 53.42 110.983 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 786' ' ' THR . . . . . 0.623 HG23 ' O ' ' A' ' 785' ' ' GLY . 3.2 p -158.12 169.88 23.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 0.777 . . . . 54.15 110.411 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 787' ' ' ALA . . . . . 0.527 ' HB1' ' O ' ' A' ' 838' ' ' GLU . . . -142.19 122.81 14.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 64.43 109.288 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 788' ' ' LYS . . . . . . . . . . . . . 13.8 mtpt -70.81 165.8 22.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 75.02 109.332 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -106.2 116.88 32.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 63.23 109.322 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 790' ' ' ARG . . . . . 0.549 ' HB2' ' CE1' ' A' ' 791' ' ' TYR . 13.3 mmt180 -97.07 0.73 49.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 71.12 110.288 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 791' ' ' TYR . . . . . 0.549 ' CE1' ' HB2' ' A' ' 790' ' ' ARG . 27.4 m-85 -152.0 139.44 19.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 71.45 111.011 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -79.38 112.64 16.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 71.32 109.279 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 793' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -110.41 113.87 26.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 64.22 110.964 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 2.9 t -95.85 95.78 8.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 71.11 108.283 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . 0.47 ' HB1' ' HB3' ' A' ' 800' ' ' GLU . . . -43.21 133.58 3.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 73.55 109.327 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.4 -15.2 21.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.579 1.175 . . . . 72.12 110.306 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -141.89 174.5 10.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 71.24 109.297 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -81.63 3.48 25.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 71.53 110.32 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 97.3 p -102.71 8.52 39.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 61.24 110.004 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 800' ' ' GLU . . . . . 0.47 ' HB3' ' HB1' ' A' ' 795' ' ' ALA . 2.6 tp10 -121.1 148.64 43.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 63.52 110.296 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 801' ' ' LEU . . . . . 0.641 HD23 ' H ' ' A' ' 802' ' ' SER . 0.9 OUTLIER -85.68 137.86 32.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 73.41 109.245 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 802' ' ' SER . . . . . 0.641 ' H ' HD23 ' A' ' 801' ' ' LEU . 0.2 OUTLIER -77.68 97.85 5.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 73.13 110.003 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 803' ' ' LEU . . . . . 0.75 HD21 ' CG1' ' A' ' 837' ' ' VAL . 1.0 OUTLIER -93.12 153.41 18.68 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.464 1.102 . . . . 73.43 109.289 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 8.4 mtmm -163.4 120.78 1.86 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 72.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 805' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -44.83 147.74 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 75.03 110.338 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 75.93 21.39 76.44 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.451 1.094 . . . . 32.33 111.033 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -128.94 163.06 26.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.745 . . . . 75.24 109.279 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 808' ' ' ILE . . . . . 0.765 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -110.31 152.62 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 65.23 109.293 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 809' ' ' ILE . . . . . 0.849 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.2 mp -123.72 116.9 49.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 74.43 109.318 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 810' ' ' LYS . . . . . 0.415 ' HD2' ' N ' ' A' ' 811' ' ' ILE . 5.9 tptm -75.79 115.9 15.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 73.22 109.322 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 811' ' ' ILE . . . . . 0.415 ' N ' ' HD2' ' A' ' 810' ' ' LYS . 2.8 mm -74.6 116.12 16.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 65.21 109.318 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 812' ' ' LEU . . . . . 0.414 ' CD2' ' HG3' ' A' ' 810' ' ' LYS . 0.9 OUTLIER -107.66 -49.89 3.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 74.21 109.296 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 813' ' ' ASN . . . . . 0.45 HD22 ' N ' ' A' ' 814' ' ' LYS . 0.1 OUTLIER -128.5 136.58 50.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 62.12 109.299 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 814' ' ' LYS . . . . . 0.45 ' N ' HD22 ' A' ' 813' ' ' ASN . 14.4 ttpp -115.76 82.49 1.77 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 74.02 109.291 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -69.48 99.18 1.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 73.2 109.294 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 816' ' ' GLY . . . . . . . . . . . . . . . 55.9 176.19 0.22 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.481 1.113 . . . . 64.45 111.01 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -90.81 -23.75 20.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 0.742 . . . . 72.34 110.313 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -117.0 100.8 7.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 73.41 110.295 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . 165.35 -111.39 0.46 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.504 1.128 . . . . 33.12 110.977 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 820' ' ' TRP . . . . . 0.743 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.4 OUTLIER -142.35 172.16 13.06 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.022 -1.103 . . . . 73.25 108.022 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 821' ' ' TRP . . . . . 0.555 ' CH2' ' HB2' ' A' ' 834' ' ' SER . 45.4 m0 -127.53 136.49 51.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 75.33 108.019 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 822' ' ' ARG . . . . . 0.417 ' HB3' ' CB ' ' A' ' 813' ' ' ASN . 5.9 tmm_? -87.92 102.37 14.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 72.34 110.297 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -121.99 -158.1 10.21 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.498 1.124 . . . . 44.21 110.99 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 824' ' ' GLU . . . . . 0.879 ' HB2' HD13 ' A' ' 829' ' ' ILE . 0.5 OUTLIER -165.66 149.61 8.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 0.787 . . . . 51.33 110.314 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 825' ' ' ILE . . . . . 0.573 HG22 ' CD2' ' A' ' 826' ' ' TYR . 2.7 mt -139.08 127.67 28.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 72.45 109.267 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 826' ' ' TYR . . . . . 0.573 ' CD2' HG22 ' A' ' 825' ' ' ILE . 3.8 m-30 61.39 16.73 7.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 74.32 111.011 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 98.5 -8.76 62.31 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.515 1.134 . . . . 73.02 111.0 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.21 118.24 23.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 0.738 . . . . 74.53 110.259 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 829' ' ' ILE . . . . . 0.879 HD13 ' HB2' ' A' ' 824' ' ' GLU . 2.5 mm -88.46 158.4 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 74.41 109.295 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 172.83 -165.37 37.71 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.49 1.119 . . . . 50.13 110.962 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 831' ' ' TRP . . . . . 0.743 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 63.3 m95 -127.77 150.36 49.84 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.995 -1.113 . . . . 73.24 107.995 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 832' ' ' PHE . . . . . 0.849 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 46.7 p90 -155.67 153.22 25.83 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 74.2 110.98 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 833' ' ' PRO . . . . . 0.493 ' HG2' ' CG ' ' A' ' 836' ' ' TYR . 18.4 Cg_endo -74.98 146.61 32.92 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.498 1.789 . . . . 72.44 111.028 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . 0.555 ' HB2' ' CH2' ' A' ' 821' ' ' TRP . 6.9 p -82.4 3.31 28.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 74.22 110.064 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -103.98 0.37 29.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 71.03 109.333 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 836' ' ' TYR . . . . . 0.493 ' CG ' ' HG2' ' A' ' 833' ' ' PRO . 10.4 m-85 -117.21 17.99 14.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 75.21 111.044 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . 0.75 ' CG1' HD21 ' A' ' 803' ' ' LEU . 24.8 m -151.14 157.3 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 74.22 109.308 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 838' ' ' GLU . . . . . 0.527 ' O ' ' HB1' ' A' ' 787' ' ' ALA . 12.1 mt-10 -87.04 179.85 6.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 70.34 110.33 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 31.9 mp0 -154.96 129.96 9.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 75.23 110.284 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 30.7 t70 43.63 31.31 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 74.34 109.315 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 841' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -59.18 -174.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 74.33 111.036 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 842' ' ' SER . . . . . . . . . . . . . 4.3 p -109.53 169.92 8.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 63.5 109.992 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -95.3 130.12 42.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 74.14 110.287 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 844' ' ' TYR . . . . . 0.587 ' CD1' ' O ' ' A' ' 844' ' ' TYR . 1.3 t80 -125.87 34.55 4.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 61.34 110.996 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 845' ' ' LEU . . . . . . . . . . . . . 17.1 mt -48.94 155.21 1.11 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 74.34 109.314 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 846' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -163.99 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.462 1.769 . . . . 74.54 110.963 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -87.1 114.78 24.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 73.24 110.299 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 848' ' ' THR . . . . . . . . . . . . . 37.6 p . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 73.21 110.405 179.999 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.03 -0.828 . . . . 72.01 111.03 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 781' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -163.71 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.498 1.788 . . . . 73.32 110.975 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 782' ' ' GLY . . . . . . . . . . . . . . . 127.56 -156.48 20.53 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.506 1.129 . . . . 73.43 111.006 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 783' ' ' THR . . . . . . . . . . . . . 17.2 m -92.57 -60.68 1.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 61.44 110.417 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 784' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -81.22 -174.37 4.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 73.44 111.017 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . -126.99 -120.41 2.35 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.527 1.142 . . . . 71.42 110.976 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 2.4 p -150.66 172.25 15.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 0.784 . . . . 63.33 110.372 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -143.55 117.7 9.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 54.4 109.312 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 788' ' ' LYS . . . . . 0.556 ' HB2' ' CE2' ' A' ' 841' ' ' TYR . 10.2 tttt -76.7 121.39 23.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 70.13 109.304 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . 0.524 ' HB2' ' CD1' ' A' ' 809' ' ' ILE . . . -64.81 134.45 54.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 75.41 109.297 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 790' ' ' ARG . . . . . 0.481 ' C ' ' CD1' ' A' ' 791' ' ' TYR . 10.3 mmt85 -115.97 0.27 13.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 62.31 110.359 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 791' ' ' TYR . . . . . 0.494 ' CD1' ' HA ' ' A' ' 836' ' ' TYR . 25.9 m-85 -144.15 137.8 27.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 75.32 111.019 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -75.38 119.56 19.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 75.31 109.309 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 793' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -128.76 113.9 15.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 63.24 110.99 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 21.4 t -85.39 139.11 31.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 74.12 108.318 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -93.18 98.58 11.38 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 64.01 109.3 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 16.9 mmt-85 -51.27 -24.92 4.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 73.25 110.285 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -151.21 178.57 9.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 75.33 109.318 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 44.2 mtp180 -73.02 -4.01 29.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 74.1 110.334 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 10.9 p -79.69 -20.64 46.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 71.12 110.012 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -105.12 149.97 25.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 64.33 110.288 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 801' ' ' LEU . . . . . 0.67 HD23 ' N ' ' A' ' 802' ' ' SER . 1.0 OUTLIER -84.42 132.63 34.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 63.52 109.284 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 802' ' ' SER . . . . . 0.67 ' N ' HD23 ' A' ' 801' ' ' LEU . 0.1 OUTLIER -71.67 100.8 2.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 71.15 110.012 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 803' ' ' LEU . . . . . 0.507 HD21 ' CG1' ' A' ' 837' ' ' VAL . 2.3 tp -97.48 146.51 25.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 55.44 109.298 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.89 111.7 2.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 73.41 109.279 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 805' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 791' ' ' TYR . 3.0 mt-10 -39.7 146.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 63.22 110.277 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 77.4 19.57 76.26 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.53 1.144 . . . . 41.1 111.031 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -126.74 163.82 22.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 0.739 . . . . 64.4 109.297 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 808' ' ' ILE . . . . . 0.765 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -108.65 148.01 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 71.23 109.293 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 809' ' ' ILE . . . . . 0.858 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.2 mp -118.83 116.29 50.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 71.25 109.261 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 810' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -75.27 113.69 12.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 63.23 109.246 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 811' ' ' ILE . . . . . . . . . . . . . 2.9 mm -72.77 113.91 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 71.31 109.264 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 812' ' ' LEU . . . . . 0.497 HD12 ' HA2' ' A' ' 823' ' ' GLY . 0.8 OUTLIER -105.07 -48.68 3.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 73.44 109.299 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -130.94 140.28 50.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 73.25 109.276 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 814' ' ' LYS . . . . . . . . . . . . . 15.9 ttpp -119.65 82.87 1.95 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.531 1.145 . . . . 72.22 109.241 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -64.43 92.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 72.12 109.277 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 816' ' ' GLY . . . . . . . . . . . . . . . 61.74 172.43 1.23 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 73.14 110.978 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -75.28 -22.35 57.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 54.43 110.29 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 7.5 pm0 -123.02 146.57 47.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 70.53 110.287 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . 126.14 -109.07 1.09 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.546 1.154 . . . . 61.51 110.969 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 820' ' ' TRP . . . . . 0.737 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.4 OUTLIER -142.35 172.54 12.55 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.015 -1.105 . . . . 75.42 108.015 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 821' ' ' TRP . . . . . 0.56 ' O ' ' CD1' ' A' ' 832' ' ' PHE . 40.0 m0 -128.89 136.39 50.36 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.978 -1.119 . . . . 74.41 107.978 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 822' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -86.78 109.24 19.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 75.13 110.294 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 823' ' ' GLY . . . . . 0.497 ' HA2' HD12 ' A' ' 812' ' ' LEU . . . -137.77 -175.66 14.01 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.449 1.093 . . . . 44.44 111.031 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 824' ' ' GLU . . . . . 0.832 ' HB3' HD13 ' A' ' 829' ' ' ILE . 0.8 OUTLIER -141.24 167.46 22.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 0.744 . . . . 73.53 110.306 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 825' ' ' ILE . . . . . 0.465 HD11 ' CD1' ' A' ' 809' ' ' ILE . 1.9 mt -156.91 122.12 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 74.43 109.337 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 826' ' ' TYR . . . . . 0.471 ' CD1' ' N ' ' A' ' 826' ' ' TYR . 5.4 m-30 58.44 23.92 11.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 70.4 111.02 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 90.44 10.23 63.96 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.509 1.131 . . . . 55.43 110.976 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . 0.404 ' O ' ' HA ' ' A' ' 824' ' ' GLU . 80.7 mtt-85 -99.74 111.45 23.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 0.765 . . . . 71.42 110.313 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 829' ' ' ILE . . . . . 0.832 HD13 ' HB3' ' A' ' 824' ' ' GLU . 4.8 mm -90.49 155.14 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 71.33 109.299 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 168.66 -160.26 33.69 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.495 1.122 . . . . 70.03 111.003 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 831' ' ' TRP . . . . . 0.737 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 61.7 m95 -128.19 147.7 50.58 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.987 -1.116 . . . . 72.25 107.987 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 832' ' ' PHE . . . . . 0.858 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 32.0 p90 -150.18 151.02 30.9 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 74.24 111.011 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 148.32 35.41 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.514 1.797 . . . . 61.35 111.01 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . 0.551 ' HB2' ' CH2' ' A' ' 821' ' ' TRP . 15.1 p -84.19 3.94 32.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 75.33 110.019 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -96.4 -11.82 25.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 70.4 109.253 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 836' ' ' TYR . . . . . 0.494 ' HA ' ' CD1' ' A' ' 791' ' ' TYR . 5.9 m-85 -113.7 27.55 9.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 73.51 110.993 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . 0.808 HG21 ' HE2' ' A' ' 832' ' ' PHE . 25.3 m -154.39 163.25 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 75.2 109.272 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 838' ' ' GLU . . . . . 0.42 ' HG2' ' CG ' ' A' ' 790' ' ' ARG . 59.6 mm-40 -135.23 123.99 23.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 74.45 110.345 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -113.25 155.19 25.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 64.14 110.293 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 46.8 t0 57.13 51.37 10.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 70.02 109.322 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 841' ' ' TYR . . . . . 0.556 ' CE2' ' HB2' ' A' ' 788' ' ' LYS . 28.8 p90 -104.17 139.24 39.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 64.21 110.959 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 842' ' ' SER . . . . . . . . . . . . . 51.9 p -56.85 -175.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 71.03 110.005 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -131.22 153.49 49.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 74.22 110.327 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 844' ' ' TYR . . . . . 0.401 ' O ' ' O ' ' A' ' 845' ' ' LEU . 0.4 OUTLIER 66.79 35.94 4.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 55.1 111.018 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 845' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 844' ' ' TYR . 0.7 OUTLIER -42.3 162.87 0.15 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 75.31 109.304 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 846' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 170.0 21.37 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.515 1.798 . . . . 72.24 111.039 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 34.6 mp0 -150.65 162.82 39.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 73.04 110.302 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 848' ' ' THR . . . . . . . . . . . . . 4.7 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 72.2 110.401 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.064 -0.814 . . . . 60.33 111.064 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 781' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 149.9 37.17 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.505 1.792 . . . . 71.33 110.996 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 782' ' ' GLY . . . . . . . . . . . . . . . -102.31 -122.75 5.12 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.522 1.139 . . . . 60.5 110.994 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 783' ' ' THR . . . . . . . . . . . . . 55.3 m -92.8 -38.94 11.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 0.738 . . . . 74.22 110.389 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 784' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -65.22 -175.3 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 74.52 111.028 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 785' ' ' GLY . . . . . 0.457 ' O ' HG23 ' A' ' 786' ' ' THR . . . -154.38 -102.64 0.21 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.514 1.134 . . . . 65.02 110.998 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 786' ' ' THR . . . . . 0.457 HG23 ' O ' ' A' ' 785' ' ' GLY . 3.2 p -153.24 170.49 20.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 0.741 . . . . 74.1 110.382 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 787' ' ' ALA . . . . . 0.715 ' CB ' HD11 ' A' ' 811' ' ' ILE . . . -144.96 107.48 4.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 71.21 109.282 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 788' ' ' LYS . . . . . 0.504 ' HB2' ' CZ ' ' A' ' 841' ' ' TYR . 36.7 tttt -66.71 130.92 44.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 73.15 109.299 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . 0.461 ' HB2' ' CD1' ' A' ' 809' ' ' ILE . . . -77.47 133.72 38.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 71.1 109.325 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 790' ' ' ARG . . . . . 0.495 ' C ' ' CG ' ' A' ' 791' ' ' TYR . 17.9 mmm180 -104.23 -0.12 28.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 74.15 110.281 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 791' ' ' TYR . . . . . 0.495 ' CG ' ' C ' ' A' ' 790' ' ' ARG . 32.2 m-85 -159.35 128.93 5.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 72.23 111.003 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -65.77 108.99 2.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 75.22 109.316 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 793' ' ' PHE . . . . . 0.452 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.2 t80 -98.54 123.03 42.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 75.12 111.009 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 58.5 m -87.65 124.27 33.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 62.22 108.27 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -88.19 125.49 34.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 75.44 109.293 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 796' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -98.32 -24.81 15.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 74.04 110.331 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -139.3 172.63 12.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 75.04 109.326 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -68.57 -8.54 42.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 73.22 110.259 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 60.5 p -88.89 16.35 7.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 73.51 109.98 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 800' ' ' GLU . . . . . 0.422 ' CD ' ' CE2' ' A' ' 793' ' ' PHE . 11.4 tt0 -139.79 145.88 38.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 75.42 110.293 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 801' ' ' LEU . . . . . 0.619 HD23 ' H ' ' A' ' 802' ' ' SER . 0.9 OUTLIER -101.77 136.61 41.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 73.31 109.312 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 802' ' ' SER . . . . . 0.619 ' H ' HD23 ' A' ' 801' ' ' LEU . 4.1 m -76.58 100.97 5.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 50.31 109.97 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 803' ' ' LEU . . . . . 0.493 HD11 HG12 ' A' ' 809' ' ' ILE . 0.6 OUTLIER -94.21 157.11 16.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 65.44 109.262 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 804' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 805' ' ' GLU . 0.4 OUTLIER -156.28 111.41 2.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 72.21 109.283 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 805' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 804' ' ' LYS . 5.0 mt-10 -38.91 135.0 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 54.23 110.31 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 91.47 -8.06 79.36 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.528 1.142 . . . . 72.12 110.977 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -99.8 159.28 15.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 0.789 . . . . 61.32 109.285 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 808' ' ' ILE . . . . . 0.767 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -110.36 138.03 40.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 70.34 109.287 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 809' ' ' ILE . . . . . 0.89 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.3 mp -107.17 114.87 47.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 63.41 109.29 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 810' ' ' LYS . . . . . 0.447 ' HG3' ' CD2' ' A' ' 812' ' ' LEU . 5.1 tptm -68.18 113.63 5.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 64.33 109.288 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 811' ' ' ILE . . . . . 0.715 HD11 ' CB ' ' A' ' 787' ' ' ALA . 4.3 mm -76.76 110.02 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 42.13 109.289 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 812' ' ' LEU . . . . . 0.447 ' CD2' ' HG3' ' A' ' 810' ' ' LYS . 1.3 mt -100.16 -38.08 8.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 62.03 109.288 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -141.89 140.13 32.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 41.21 109.311 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 814' ' ' LYS . . . . . 0.417 ' C ' ' N ' ' A' ' 816' ' ' GLY . 11.6 ttpp -125.18 79.88 1.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 71.44 109.29 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 9.6 mtpp -43.06 -29.08 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 75.3 109.28 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 816' ' ' GLY . . . . . 0.417 ' N ' ' C ' ' A' ' 814' ' ' LYS . . . 150.05 159.22 8.58 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.48 1.113 . . . . 64.34 111.003 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -61.21 -14.9 29.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 0.789 . . . . 70.42 110.281 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -111.11 89.59 3.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 75.43 110.307 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . 149.49 -117.18 0.84 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.519 1.137 . . . . 53.21 110.966 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 820' ' ' TRP . . . . . 0.494 ' CE3' ' HB3' ' A' ' 831' ' ' TRP . 0.3 OUTLIER -142.34 171.44 14.05 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.974 -1.121 . . . . 73.33 107.974 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 821' ' ' TRP . . . . . 0.55 ' CH2' ' HB2' ' A' ' 834' ' ' SER . 50.3 m0 -124.49 143.25 50.76 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.955 -1.128 . . . . 75.14 107.955 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 822' ' ' ARG . . . . . 0.508 ' HG3' ' CE2' ' A' ' 831' ' ' TRP . 1.9 ttt180 -95.76 102.57 14.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 74.24 110.329 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -126.18 -165.87 12.11 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 74.32 111.009 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 824' ' ' GLU . . . . . 0.878 ' HB2' HD13 ' A' ' 829' ' ' ILE . 18.6 tt0 -156.65 158.8 37.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 0.738 . . . . 73.33 110.329 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 825' ' ' ILE . . . . . 0.49 ' N ' ' CG ' ' A' ' 824' ' ' GLU . 3.1 mt -148.22 128.18 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 75.12 109.314 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 56.96 23.1 7.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 65.21 110.974 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 88.54 14.71 61.19 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.494 1.121 . . . . 54.41 110.989 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . 0.48 ' CD ' ' O ' ' A' ' 825' ' ' ILE . 2.8 mpt_? -105.45 114.14 28.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.583 0.814 . . . . 74.2 110.303 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 829' ' ' ILE . . . . . 0.878 HD13 ' HB2' ' A' ' 824' ' ' GLU . 2.5 mm -87.39 153.44 3.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 72.32 109.296 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 176.43 -178.36 47.78 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.529 1.143 . . . . 51.43 111.006 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 831' ' ' TRP . . . . . 0.508 ' CE2' ' HG3' ' A' ' 822' ' ' ARG . 81.7 m95 -118.72 144.2 46.39 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.997 -1.112 . . . . 72.24 107.997 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 832' ' ' PHE . . . . . 0.89 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 35.3 p90 -151.73 151.76 29.03 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 75.22 111.034 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 148.11 34.62 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.474 1.776 . . . . 65.53 110.944 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . 0.55 ' HB2' ' CH2' ' A' ' 821' ' ' TRP . 52.0 p -83.79 3.92 31.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 75.23 109.98 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -96.33 -10.03 28.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 70.31 109.263 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -109.88 -1.68 17.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 53.3 111.0 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . 0.815 HG21 ' HE2' ' A' ' 832' ' ' PHE . 33.0 m -126.38 173.69 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 62.41 109.314 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 838' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 788' ' ' LYS . 61.0 mm-40 -144.4 123.64 12.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 71.04 110.284 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.13 168.38 9.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 72.4 110.342 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 23.4 t0 40.42 46.48 2.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 73.02 109.319 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 841' ' ' TYR . . . . . 0.504 ' CZ ' ' HB2' ' A' ' 788' ' ' LYS . 37.0 p90 -97.9 -33.64 11.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 74.4 111.035 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 842' ' ' SER . . . . . 0.493 ' OG ' ' CE1' ' A' ' 841' ' ' TYR . 87.6 p -156.79 153.05 27.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 42.41 110.04 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -167.56 148.01 5.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 71.0 110.303 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 844' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 59.45 53.72 5.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 73.01 111.035 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 845' ' ' LEU . . . . . 0.445 HD13 ' HA ' ' A' ' 845' ' ' LEU . 4.2 mm? -60.78 155.64 50.76 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 61.25 109.269 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 846' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 141.62 27.15 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.49 1.784 . . . . 72.42 111.018 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -41.99 154.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 75.22 110.351 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 848' ' ' THR . . . . . . . . . . . . . 3.1 p . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 53.53 110.383 179.988 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.019 -0.832 . . . . 73.24 111.019 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 781' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 70.71 5.22 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 55.4 110.99 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 782' ' ' GLY . . . . . . . . . . . . . . . 147.66 -166.51 28.74 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.489 1.118 . . . . 71.12 110.996 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 783' ' ' THR . . . . . . . . . . . . . 3.9 m -116.6 52.17 0.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 72.42 110.372 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 784' ' ' PHE . . . . . 0.509 ' CE1' ' HG3' ' A' ' 814' ' ' LYS . 7.0 m-85 -68.8 160.63 30.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 74.02 110.999 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . -115.15 -122.44 3.57 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 70.41 111.021 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 3.6 p -141.6 -178.24 5.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 0.782 . . . . 64.12 110.446 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 787' ' ' ALA . . . . . 0.59 ' HB2' HD11 ' A' ' 811' ' ' ILE . . . -148.39 110.62 4.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 71.4 109.308 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 788' ' ' LYS . . . . . 0.57 ' HB2' ' CE2' ' A' ' 841' ' ' TYR . 10.2 tttt -79.91 120.41 24.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 62.14 109.298 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . 0.686 ' HA ' HG12 ' A' ' 837' ' ' VAL . . . -64.87 135.33 55.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 50.31 109.294 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 790' ' ' ARG . . . . . 0.423 ' CG ' ' CD ' ' A' ' 838' ' ' GLU . 4.2 mmm180 -107.84 -6.66 16.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 74.41 110.265 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 791' ' ' TYR . . . . . 0.448 ' CA ' ' HG3' ' A' ' 805' ' ' GLU . 76.9 m-85 -141.71 135.54 29.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 75.11 111.005 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -68.2 98.41 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 71.43 109.279 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 793' ' ' PHE . . . . . 0.45 ' CB ' ' HB2' ' A' ' 803' ' ' LEU . 1.1 t80 -83.75 178.09 8.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 72.44 111.013 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 3.8 t -152.27 111.13 3.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 53.23 108.343 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -80.4 139.32 36.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 73.24 109.26 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 796' ' ' ARG . . . . . 0.465 ' CZ ' ' HB2' ' A' ' 797' ' ' ASP . 0.0 OUTLIER -117.15 -7.6 11.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 70.53 110.309 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 797' ' ' ASP . . . . . 0.465 ' HB2' ' CZ ' ' A' ' 796' ' ' ARG . 25.4 t70 -154.22 163.81 39.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 62.2 109.286 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 36.3 ptt-85 -64.96 -18.53 65.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 75.24 110.268 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 52.1 p -73.94 -8.42 56.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 72.42 110.007 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -118.16 151.66 37.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 74.2 110.317 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 801' ' ' LEU . . . . . 0.637 HD11 ' N ' ' A' ' 824' ' ' GLU . 0.8 OUTLIER -101.1 138.47 38.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 73.05 109.313 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 802' ' ' SER . . . . . 0.635 ' H ' HD23 ' A' ' 801' ' ' LEU . 0.4 OUTLIER -77.93 104.24 8.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 74.43 110.003 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 803' ' ' LEU . . . . . 0.849 HD11 HG12 ' A' ' 809' ' ' ILE . 2.2 mp -101.14 151.27 22.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 63.33 109.278 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 804' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -156.8 118.63 3.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 74.1 109.265 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 805' ' ' GLU . . . . . 0.448 ' HG3' ' CA ' ' A' ' 791' ' ' TYR . 4.8 mt-10 -39.15 135.3 0.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 72.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 85.5 4.93 85.33 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.528 1.143 . . . . 73.33 111.0 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -107.62 158.06 17.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 0.768 . . . . 73.43 109.277 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 808' ' ' ILE . . . . . 0.731 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -109.85 147.09 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 72.14 109.328 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 809' ' ' ILE . . . . . 0.894 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 1.6 mp -118.63 115.97 49.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 55.04 109.274 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 810' ' ' LYS . . . . . . . . . . . . . 6.8 tptm -71.87 112.07 7.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 73.5 109.319 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 811' ' ' ILE . . . . . 0.59 HD11 ' HB2' ' A' ' 787' ' ' ALA . 15.8 mm -70.35 121.05 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 72.13 109.306 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 812' ' ' LEU . . . . . . . . . . . . . 2.2 mt -113.09 -48.02 3.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 72.24 109.28 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -124.28 151.25 44.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 74.1 109.258 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 814' ' ' LYS . . . . . 0.565 ' HA ' ' CD1' ' A' ' 821' ' ' TRP . 9.5 mttm -129.96 82.04 2.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 75.54 109.359 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . 0.471 ' HA ' ' HZ3' ' A' ' 815' ' ' LYS . 0.4 OUTLIER -72.34 102.28 3.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 75.53 109.317 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 816' ' ' GLY . . . . . . . . . . . . . . . 52.54 172.88 0.03 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.501 1.125 . . . . 53.03 110.978 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -89.01 -0.9 57.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 0.761 . . . . 72.4 110.304 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -136.68 132.69 35.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 52.54 110.293 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . 129.62 -107.16 0.78 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.475 1.109 . . . . 63.15 110.988 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 820' ' ' TRP . . . . . 0.587 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.34 172.56 12.53 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.987 -1.116 . . . . 75.51 107.987 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 821' ' ' TRP . . . . . 0.565 ' CD1' ' HA ' ' A' ' 814' ' ' LYS . 11.9 m0 -131.41 144.69 51.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 74.31 107.99 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 822' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -90.23 132.56 35.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 71.31 110.335 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -152.23 -155.51 7.08 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.558 1.161 . . . . 63.03 111.028 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 824' ' ' GLU . . . . . 0.916 ' HB2' HD13 ' A' ' 829' ' ' ILE . 18.2 tt0 -167.45 156.79 10.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 0.746 . . . . 52.34 110.292 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 825' ' ' ILE . . . . . 0.578 HG23 ' CE1' ' A' ' 826' ' ' TYR . 2.3 mt -147.39 124.13 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 65.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 826' ' ' TYR . . . . . 0.578 ' CE1' HG23 ' A' ' 825' ' ' ILE . 3.2 m-30 61.72 19.16 10.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 75.14 110.985 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 96.73 -2.98 62.61 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.52 1.138 . . . . 73.24 111.043 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . 0.462 ' CD ' ' HB2' ' A' ' 826' ' ' TYR . 1.8 mpt_? -88.35 115.31 25.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.742 . . . . 74.4 110.287 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 829' ' ' ILE . . . . . 0.916 HD13 ' HB2' ' A' ' 824' ' ' GLU . 2.9 mm -87.42 155.01 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 55.42 109.332 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 830' ' ' GLY . . . . . . . . . . . . . . . 173.15 -163.56 35.2 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.499 1.124 . . . . 74.41 111.006 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 831' ' ' TRP . . . . . 0.587 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 43.3 m95 -128.97 170.67 13.17 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.039 -1.097 . . . . 75.21 108.039 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 832' ' ' PHE . . . . . 0.894 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 29.0 p90 -175.14 152.3 1.44 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.125 . . . . 71.1 111.011 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 833' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 146.79 33.17 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.779 . . . . 62.42 111.01 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 11.1 p -85.0 3.86 36.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 71.01 110.003 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -100.59 -3.83 29.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 51.14 109.282 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 836' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -110.8 -4.81 15.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.117 . . . . 74.41 111.023 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . 0.775 HG21 ' HE2' ' A' ' 832' ' ' PHE . 29.1 m -128.63 166.32 26.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 60.33 109.293 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 838' ' ' GLU . . . . . 0.423 ' CD ' ' CG ' ' A' ' 790' ' ' ARG . 33.2 mt-10 -111.54 133.18 54.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 71.42 110.317 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 839' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 841' ' ' TYR . 0.3 OUTLIER -109.84 142.53 41.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 74.35 110.317 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 840' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 839' ' ' GLU . 23.7 t0 40.0 29.87 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 70.21 109.308 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 841' ' ' TYR . . . . . 0.57 ' CE2' ' HB2' ' A' ' 788' ' ' LYS . 2.1 p90 -46.83 -25.77 0.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 71.23 111.015 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 842' ' ' SER . . . . . . . . . . . . . 81.0 p -161.14 153.63 20.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 64.32 110.029 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -89.01 140.86 29.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 65.01 110.364 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 844' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -108.06 52.09 0.72 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 72.22 111.026 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 845' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 845' ' ' LEU . 15.5 mt -71.58 155.82 92.08 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 73.24 109.32 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 846' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 152.32 40.47 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.545 1.813 . . . . 73.15 110.992 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -78.84 152.74 31.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 71.33 110.306 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 848' ' ' THR . . . . . . . . . . . . . 25.0 p . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 72.01 110.394 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 780' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.012 -0.835 . . . . 61.04 111.012 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 781' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 106.55 2.3 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.494 1.786 . . . . 51.52 110.991 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 782' ' ' GLY . . . . . . . . . . . . . . . 142.12 54.47 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.547 1.154 . . . . 54.14 111.009 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 783' ' ' THR . . . . . . . . . . . . . 90.9 m -48.83 150.79 1.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 0.79 . . . . 74.24 110.416 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 784' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -126.43 -177.98 4.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 75.43 110.961 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 785' ' ' GLY . . . . . . . . . . . . . . . -145.63 -112.98 0.8 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.533 1.145 . . . . 62.31 110.967 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 2.6 p -138.27 -179.06 5.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 0.787 . . . . 73.14 110.407 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 787' ' ' ALA . . . . . 0.554 ' HB2' HD11 ' A' ' 811' ' ' ILE . . . -150.34 104.71 3.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 73.45 109.294 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 788' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -74.31 114.08 12.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 74.14 109.335 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -58.99 126.78 29.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 64.44 109.309 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 790' ' ' ARG . . . . . 0.443 ' C ' ' CD1' ' A' ' 791' ' ' TYR . 14.0 mmt180 -107.01 -3.1 20.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 75.22 110.355 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 791' ' ' TYR . . . . . 0.443 ' CD1' ' C ' ' A' ' 790' ' ' ARG . 75.9 m-85 -153.33 128.26 9.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 73.22 111.022 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . 0.404 ' OD2' ' N ' ' A' ' 792' ' ' ASP . 16.7 p-10 -64.77 109.86 2.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 71.34 109.32 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 793' ' ' PHE . . . . . 0.558 ' CZ ' ' HG3' ' A' ' 833' ' ' PRO . 4.5 t80 -102.94 132.02 49.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 73.31 110.997 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 794' ' ' CYS . . . . . . . . . . . . . 34.6 m -88.09 127.64 35.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 73.22 108.316 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 796' ' ' ARG . . . -82.2 103.43 11.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 64.45 109.303 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 796' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 795' ' ' ALA . 12.1 ptm180 -38.94 -34.89 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 72.52 110.352 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 797' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -157.06 174.69 15.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 71.33 109.286 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 798' ' ' ARG . . . . . . . . . . . . . 4.2 tpt85 -59.09 -25.95 64.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 72.32 110.322 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 799' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.94 -21.58 64.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 61.23 109.995 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 800' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -97.25 146.21 25.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 63.22 110.304 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 801' ' ' LEU . . . . . 0.507 HD13 ' N ' ' A' ' 830' ' ' GLY . 4.0 tp -84.31 133.03 34.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.153 . . . . 71.41 109.318 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 9.4 t -94.98 122.32 37.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 73.52 110.008 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 803' ' ' LEU . . . . . 0.452 ' HB2' ' CB ' ' A' ' 793' ' ' PHE . 0.2 OUTLIER -96.08 160.48 14.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 63.53 109.277 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 804' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 805' ' ' GLU . 0.6 OUTLIER -157.34 110.62 2.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 73.23 109.317 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 805' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 791' ' ' TYR . 4.6 mt-10 -38.86 136.63 0.74 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 72.44 110.304 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 806' ' ' GLY . . . . . . . . . . . . . . . 86.34 6.06 81.65 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.496 1.123 . . . . 44.52 111.01 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 807' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -109.43 157.16 19.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 0.787 . . . . 75.44 109.228 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 808' ' ' ILE . . . . . 0.771 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.0 OUTLIER -109.58 138.73 35.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.528 1.142 . . . . 64.55 109.284 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 809' ' ' ILE . . . . . 0.88 HG21 ' CZ ' ' A' ' 832' ' ' PHE . 2.1 mp -116.13 117.23 54.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.425 1.078 . . . . 41.31 109.315 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 810' ' ' LYS . . . . . . . . . . . . . 5.3 tptm -76.23 114.21 14.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 73.21 109.261 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 811' ' ' ILE . . . . . 0.554 HD11 ' HB2' ' A' ' 787' ' ' ALA . 2.9 mm -70.2 124.36 26.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 71.4 109.333 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 812' ' ' LEU . . . . . 0.482 HD12 ' CA ' ' A' ' 823' ' ' GLY . 1.4 mt -116.23 -43.66 2.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 75.43 109.278 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 813' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -132.78 157.81 44.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 55.03 109.315 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 814' ' ' LYS . . . . . 0.415 ' HD3' ' NE1' ' A' ' 821' ' ' TRP . 13.6 mttt -137.75 79.25 1.73 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 74.12 109.292 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . 0.541 ' HG3' ' CZ3' ' A' ' 831' ' ' TRP . 12.2 mmmt -57.7 -173.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 62.11 109.316 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 816' ' ' GLY . . . . . . . . . . . . . . . -37.82 140.21 0.46 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.475 1.109 . . . . 23.14 111.018 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 817' ' ' GLN . . . . . 0.49 ' O ' ' CG ' ' A' ' 818' ' ' GLN . 70.7 mt-30 -59.15 166.84 1.96 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 0.75 . . . . 63.41 110.302 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 818' ' ' GLN . . . . . 0.49 ' CG ' ' O ' ' A' ' 817' ' ' GLN . 11.3 pt20 45.95 25.65 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 64.32 110.319 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 819' ' ' GLY . . . . . . . . . . . . . . . -113.79 -105.67 2.68 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.525 1.141 . . . . 72.15 111.004 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 820' ' ' TRP . . . . . 0.542 ' CE2' ' CE3' ' A' ' 831' ' ' TRP . 0.5 OUTLIER -142.47 172.05 13.22 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.021 -1.103 . . . . 74.14 108.021 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 821' ' ' TRP . . . . . 0.559 ' CZ3' ' HB2' ' A' ' 834' ' ' SER . 40.4 m0 -131.42 132.54 44.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 70.24 108.03 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 822' ' ' ARG . . . . . 0.496 ' HG3' ' CE2' ' A' ' 831' ' ' TRP . 27.3 ttt180 -90.36 113.15 24.98 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 63.24 110.269 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 823' ' ' GLY . . . . . 0.482 ' CA ' HD12 ' A' ' 812' ' ' LEU . . . -132.51 -151.54 6.76 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.493 1.121 . . . . 63.33 111.03 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 824' ' ' GLU . . . . . 0.866 ' HB2' HD13 ' A' ' 829' ' ' ILE . 15.6 tt0 -164.23 156.87 17.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 0.736 . . . . 55.13 110.319 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 825' ' ' ILE . . . . . 0.537 HG22 ' CD2' ' A' ' 826' ' ' TYR . 2.0 mt -152.86 128.19 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 54.21 109.291 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 826' ' ' TYR . . . . . 0.537 ' CD2' HG22 ' A' ' 825' ' ' ILE . 4.3 m-30 60.73 22.48 12.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 73.1 110.956 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 89.29 4.94 73.37 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.517 1.136 . . . . 75.34 111.018 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . 0.435 ' O ' ' HA ' ' A' ' 824' ' ' GLU . 65.8 mtt-85 -95.85 119.04 33.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 0.772 . . . . 71.25 110.311 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 829' ' ' ILE . . . . . 0.866 HD13 ' HB2' ' A' ' 824' ' ' GLU . 2.6 mm -92.75 159.2 2.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 74.11 109.293 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 830' ' ' GLY . . . . . 0.507 ' N ' HD13 ' A' ' 801' ' ' LEU . . . 164.77 -158.7 31.56 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.481 1.113 . . . . 64.31 110.994 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 831' ' ' TRP . . . . . 0.542 ' CE3' ' CE2' ' A' ' 820' ' ' TRP . 52.1 m95 -130.26 174.78 9.5 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.983 -1.117 . . . . 73.33 107.983 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 832' ' ' PHE . . . . . 0.88 ' CZ ' HG21 ' A' ' 809' ' ' ILE . 41.0 p90 -178.33 154.43 0.91 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 75.33 110.996 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 833' ' ' PRO . . . . . 0.558 ' HG3' ' CZ ' ' A' ' 793' ' ' PHE . 18.5 Cg_endo -74.93 146.19 32.65 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.519 1.8 . . . . 55.5 111.009 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . 0.745 ' HA ' HG22 ' A' ' 837' ' ' VAL . 54.3 p -83.75 -8.74 59.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 71.24 110.028 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . 0.41 ' N ' ' OD1' ' A' ' 835' ' ' ASN . 0.7 OUTLIER -77.88 -13.9 59.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 64.13 109.326 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 836' ' ' TYR . . . . . 0.46 ' C ' HG13 ' A' ' 837' ' ' VAL . 15.9 m-85 -114.68 25.39 11.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 75.13 111.024 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . 0.745 HG22 ' HA ' ' A' ' 834' ' ' SER . 13.9 m -153.95 168.24 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 73.04 109.28 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 838' ' ' GLU . . . . . 0.401 ' O ' ' HA ' ' A' ' 787' ' ' ALA . 12.3 mt-10 -116.52 171.22 7.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 53.34 110.27 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 839' ' ' GLU . . . . . 0.546 ' HG3' ' CZ3' ' A' ' 821' ' ' TRP . 3.6 mm-40 -148.18 140.06 23.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 71.15 110.293 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 840' ' ' ASP . . . . . . . . . . . . . 33.2 t70 46.23 26.04 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 75.44 109.282 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 841' ' ' TYR . . . . . 0.406 ' N ' ' C ' ' A' ' 839' ' ' GLU . 16.3 p90 -57.78 -175.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 73.03 111.002 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 842' ' ' SER . . . . . . . . . . . . . 45.3 p -108.22 175.8 5.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 71.02 110.003 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -110.95 147.08 35.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 74.52 110.27 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 844' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -121.1 51.01 1.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 63.21 110.979 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 845' ' ' LEU . . . . . . . . . . . . . 39.7 mt -43.25 156.16 0.27 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 62.24 109.309 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 846' ' ' PRO . . . . . 0.433 ' HG2' HG22 ' A' ' 848' ' ' THR . 18.1 Cg_endo -75.01 175.46 11.21 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.46 1.769 . . . . 73.43 110.983 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -67.45 -15.92 63.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 75.23 110.279 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 848' ' ' THR . . . . . 0.433 HG22 ' HG2' ' A' ' 846' ' ' PRO . 1.7 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 73.14 110.414 179.958 . . . . . . . . 1 1 . 1 stop_ save_