data_1cnp_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 1cnp _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 98.1 mt . . . . . 0 CA--C 1.534 0.35 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.52 -47.87 28.83 Favored Glycine 0 CA--C 1.528 0.87 0 C-N-CA 124.372 0.987 . . . . 0.0 111.407 173.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 52.8 tp -63.36 -49.17 74.91 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 117.768 0.784 . . . . 0.0 110.544 179.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.1 mp -54.1 -50.34 67.06 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.927 0.785 . . . . 0.0 110.612 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 90.1 mt -63.02 -46.02 97.35 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 122.75 0.42 . . . . 0.0 109.878 177.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.5 -45.48 93.02 Favored Glycine 0 CA--C 1.522 0.523 0 C-N-CA 125.186 1.374 . . . . 0.0 111.383 -178.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 20.4 mm -65.99 -53.93 32.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 177.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -40.56 -60.06 1.21 Allowed 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.68 0.792 . . . . 0.0 111.148 172.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . 0.251 2.2 m-70 -90.84 21.77 3.95 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 178.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -50.0 65.53 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 168.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -80.38 57.8 2.93 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 125.147 1.379 . . . . 0.0 108.152 -177.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 N--CA 1.452 -0.348 0 C-N-CA 124.234 1.014 . . . . 0.0 109.177 178.948 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.6 pttp . . . . . 0 N--CA 1.444 -0.735 0 CA-C-O 119.062 -0.494 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.0 p80 -71.94 -50.09 32.01 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 119.901 1.228 . . . . 0.0 111.214 -177.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -111.58 -168.06 1.26 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.235 1.814 . . . . 0.0 107.207 174.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -136.29 119.43 16.57 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 -179.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.3 p -62.74 150.28 41.68 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.1 0.476 . . . . 0.0 112.06 -171.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.0 mmtm -48.77 -58.18 5.19 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.732 0.813 . . . . 0.0 110.563 170.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.8 -30.95 71.98 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 120.438 -0.505 . . . . 0.0 111.286 -170.132 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -69.42 -45.48 69.08 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 118.759 0.709 . . . . 0.0 110.804 169.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.0 tt -55.97 -38.44 70.4 Favored 'General case' 0 N--CA 1.462 0.144 0 O-C-N 120.986 -1.071 . . . . 0.0 110.875 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 41.5 mmtt -60.11 -9.55 3.36 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 113.437 0.902 . . . . 0.0 113.437 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -78.55 -49.57 13.09 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 120.11 1.323 . . . . 0.0 110.413 169.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tt -45.73 -60.42 2.22 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 126.108 1.763 . . . . 0.0 109.284 176.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.1 tt -58.48 -46.59 89.63 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.485 -170.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -65.15 -59.53 4.01 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 120.055 -0.658 . . . . 0.0 110.758 -176.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.9 mmtm -97.15 -64.77 1.01 Allowed 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 115.884 1.809 . . . . 0.0 115.884 -175.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -78.75 14.53 1.3 Allowed 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 116.531 2.048 . . . . 0.0 116.531 -165.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.88 22.95 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 117.537 2.421 . . . . 0.0 117.537 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 69.09 -71.72 0.12 Allowed 'General case' 0 CA--C 1.531 0.223 0 O-C-N 120.167 -1.583 . . . . 0.0 112.593 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 15.2 tt . . . . . 0 C--O 1.237 0.402 0 C-N-CA 124.594 1.157 . . . . 0.0 110.811 -170.666 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.4 mt . . . . . 0 CA--C 1.537 0.45 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 16.1 tpt -71.26 -60.02 2.46 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 118.707 0.685 . . . . 0.0 109.918 169.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.489 ' C ' ' H ' ' A' ' 60' ' ' LEU . 38.6 t70 -72.97 7.92 1.81 Allowed 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 126.56 1.944 . . . . 0.0 115.114 -176.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -66.99 28.76 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 128.946 2.899 . . . . 0.0 109.119 163.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.489 ' H ' ' C ' ' A' ' 58' ' ' ASP . 48.1 mt -60.52 -6.47 1.63 Allowed 'General case' 0 C--N 1.344 0.367 0 C-N-CA 128.303 2.641 . . . . 0.0 111.496 -179.015 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -52.82 -20.65 3.4 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.629 0.728 . . . . 0.0 110.147 164.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 43.0 mtm-85 -54.04 -18.09 3.27 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 168.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -28.6 -70.39 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 127.461 2.304 . . . . 0.0 117.116 -167.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.9 pttp -150.15 -53.46 0.15 Allowed 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 119.225 0.92 . . . . 0.0 112.744 -171.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.93 -22.37 61.48 Favored 'General case' 0 N--CA 1.461 0.116 0 C-N-CA 124.342 1.057 . . . . 0.0 111.318 -168.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 68.7 -71.94 0.11 Allowed 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 126.449 1.9 . . . . 0.0 108.161 -168.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -80.59 79.5 7.21 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 106.581 -1.637 . . . . 0.0 106.581 176.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.0 m -54.52 161.26 0.47 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.127 0 C-N-CA 125.618 1.567 . . . . 0.0 114.541 -169.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -95.08 179.3 5.26 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 125.079 1.352 . . . . 0.0 108.156 175.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -59.05 -33.2 70.5 Favored 'General case' 0 C--O 1.224 -0.256 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 168.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.47 -64.84 0.68 Allowed 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 123.55 0.74 . . . . 0.0 111.392 178.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.9 mp0 -62.92 -44.86 94.94 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 119.546 1.066 . . . . 0.0 109.664 -171.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -42.66 -68.13 0.22 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.829 1.251 . . . . 0.0 110.133 170.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 9.5 tp -70.78 -25.81 26.94 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.309 0 O-C-N 121.745 -0.597 . . . . 0.0 111.108 -171.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 91.7 m -59.92 -56.88 16.3 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 118.74 0.7 . . . . 0.0 109.69 173.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.01 -44.51 72.65 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 122.237 -0.289 . . . . 0.0 110.315 -175.163 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 39.1 mt -58.52 -37.46 75.69 Favored 'General case' 0 C--O 1.224 -0.248 0 O-C-N 121.747 -0.596 . . . . 0.0 111.065 172.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.34 -49.77 74.95 Favored Glycine 0 CA--C 1.525 0.674 0 C-N-CA 124.42 1.009 . . . . 0.0 110.774 175.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.84 -51.86 59.35 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 122.531 0.332 . . . . 0.0 110.253 175.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 97.7 mt -59.8 -42.29 93.11 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 122.122 -0.361 . . . . 0.0 111.469 177.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.17 -38.65 83.84 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.564 0.746 . . . . 0.0 110.778 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 8.0 ttt -53.02 -28.49 24.45 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 119.533 -0.27 . . . . 0.0 111.158 172.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 21.5 mm -88.62 -67.12 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 C-N-CA 123.512 0.725 . . . . 0.0 109.62 174.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -61.91 -29.73 70.41 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 113.523 0.935 . . . . 0.0 113.523 -168.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -91.21 22.9 3.55 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 118.723 -0.656 . . . . 0.0 111.712 178.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 . . . . . 0 CA--C 1.536 0.416 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 -171.699 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.465 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 2.0 mp -68.26 -40.13 82.16 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 N-CA-C 107.929 -1.138 . . . . 0.0 107.929 174.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -41.74 -39.45 2.65 Favored Glycine 0 CA--C 1.529 0.947 0 C-N-CA 125.664 1.602 . . . . 0.0 112.6 169.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 85.1 mt -61.17 -46.41 90.63 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 119.602 1.701 . . . . 0.0 110.97 174.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 54.7 mt -63.94 -44.86 91.56 Favored 'General case' 0 C--O 1.234 0.286 0 O-C-N 121.689 -0.632 . . . . 0.0 109.809 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 81.8 mt -57.29 -40.71 75.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 C-N-CA 123.335 0.654 . . . . 0.0 109.591 171.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.23 -62.13 6.63 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 126.038 1.78 . . . . 0.0 110.094 176.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.9 mp -56.76 -48.44 81.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-N 118.852 1.326 . . . . 0.0 109.411 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . 0.453 ' CE2' ' CE1' ' B' ' 17' ' ' HIS . 53.4 t80 -43.3 -66.91 0.32 Allowed 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 123.661 0.784 . . . . 0.0 110.863 174.116 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . 0.453 ' CE1' ' CE2' ' B' ' 16' ' ' PHE . 1.5 m-70 -85.33 0.71 51.2 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 115.948 1.832 . . . . 0.0 115.948 -175.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -59.17 -48.92 79.82 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 106.01 -1.848 . . . . 0.0 106.01 166.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -76.63 50.22 0.67 Allowed 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 122.358 1.075 . . . . 0.0 110.883 171.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 16.1 m -142.97 -1.37 1.09 Allowed 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 123.613 0.765 . . . . 0.0 111.405 167.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 108.774 -1.731 . . . . 0.0 108.774 170.594 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.54 0.57 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 34.0 p80 -106.0 -172.05 2.02 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 121.117 -0.989 . . . . 0.0 111.094 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 1.3 p -43.68 141.47 1.5 Allowed 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 127.288 2.235 . . . . 0.0 110.629 173.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 8.2 mp -71.41 100.83 2.27 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 174.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.7 m -84.95 90.33 7.79 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 122.97 0.508 . . . . 0.0 110.714 -170.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 18.5 mttp 64.79 -82.68 0.03 OUTLIER 'General case' 0 C--O 1.232 0.152 0 C-N-CA 124.924 1.289 . . . . 0.0 113.115 169.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -51.97 -44.56 64.05 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.648 0.779 . . . . 0.0 109.507 -172.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -52.76 -50.01 64.37 Favored 'General case' 0 N--CA 1.437 -1.106 0 C-N-CA 124.032 0.933 . . . . 0.0 110.579 176.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.45 -45.96 74.48 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 118.894 -1.123 . . . . 0.0 108.991 -175.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 58.2 mmtt -67.36 -26.24 66.38 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 119.568 -0.853 . . . . 0.0 110.799 -175.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -73.96 -35.92 64.57 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.846 0.858 . . . . 0.0 112.006 171.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.2 tt -68.4 -57.29 6.11 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 125.298 1.439 . . . . 0.0 110.776 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 19.4 tt -53.67 -36.45 29.0 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 C-N-CA 123.434 0.694 . . . . 0.0 112.682 -169.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -74.32 -19.48 60.45 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -93.23 -100.31 0.13 Allowed 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 178.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -86.73 -30.26 21.76 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 115.631 1.715 . . . . 0.0 115.631 -166.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -29.04 -61.63 0.13 Allowed 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 116.649 2.092 . . . . 0.0 116.649 -167.338 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 80.1 p -81.42 -110.19 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 120.88 0.371 . . . . 0.0 110.15 -169.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 7.1 mt -86.57 51.6 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 O-C-N 120.788 -1.195 . . . . 0.0 109.178 -174.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -171.433 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 . . . . . 0 N--CA 1.467 0.423 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -60.05 -4.32 0.75 Allowed 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.032 0.533 . . . . 0.0 110.141 163.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 59.9 tp -28.13 -30.92 0.0 OUTLIER 'General case' 0 C--N 1.344 0.348 1 C-N-CA 132.606 4.362 . . . . 0.0 114.933 169.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -44.33 -25.89 0.28 Allowed 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 122.649 1.214 . . . . 0.0 112.622 168.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -38.66 -36.75 0.28 Allowed 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 127.452 2.301 . . . . 0.0 111.674 167.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -41.42 -39.35 1.46 Allowed 'General case' 0 C--N 1.341 0.222 0 C-N-CA 127.459 2.304 . . . . 0.0 113.502 177.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.64 75.95 1.41 Allowed 'General case' 0 C--O 1.235 0.336 0 N-CA-C 105.407 -2.072 . . . . 0.0 105.407 -177.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 31.4 t0 16.95 55.9 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 130.256 3.422 . . . . 0.0 115.735 -174.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 61.31 10.2 2.95 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 115.799 1.777 . . . . 0.0 115.799 164.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.4 85.12 7.11 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 106.491 -1.67 . . . . 0.0 106.491 170.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 t -79.25 116.05 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -166.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -78.01 165.7 23.72 Favored 'General case' 0 CA--C 1.527 0.093 0 C-N-CA 124.647 1.179 . . . . 0.0 109.643 169.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -55.41 -45.63 76.7 Favored 'General case' 0 C--O 1.22 -0.455 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 177.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -51.07 -54.99 19.85 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 122.624 0.369 . . . . 0.0 110.803 175.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -59.77 -51.04 71.45 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.592 0.757 . . . . 0.0 109.857 -175.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -49.97 -52.12 36.17 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.663 1.185 . . . . 0.0 110.949 173.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 21.1 mm -61.07 -32.81 53.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 123.597 0.759 . . . . 0.0 110.789 178.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 26.4 m -56.29 -56.85 15.91 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 119.421 1.01 . . . . 0.0 109.91 -179.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.76 -44.61 69.83 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 119.207 -0.425 . . . . 0.0 111.304 -178.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 9.4 mt -50.1 -47.03 54.08 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 118.523 0.601 . . . . 0.0 110.374 174.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.27 -60.28 8.75 Favored Glycine 0 CA--C 1.523 0.567 0 C-N-CA 124.816 1.198 . . . . 0.0 111.49 174.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -49.81 -54.21 20.65 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.007 0.523 . . . . 0.0 110.978 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 42.2 mt -61.86 -48.51 80.21 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 123.571 0.748 . . . . 0.0 111.011 -179.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.26 -40.62 82.3 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 123.658 0.783 . . . . 0.0 110.041 -178.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 11.6 ttt -53.99 -26.11 24.41 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 122.643 0.377 . . . . 0.0 111.531 175.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 32.5 mm -90.85 -69.56 0.62 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 C-N-CA 123.883 0.873 . . . . 0.0 110.156 171.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 17.2 p90 -61.75 -33.38 73.96 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 -168.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -91.39 21.33 4.57 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.652 0.781 . . . . 0.0 111.704 -178.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 . . . . . 0 CA--C 1.54 0.57 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 -169.622 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 92.8 mt . . . . . 0 CA--C 1.534 0.336 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.35 -55.12 13.55 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 123.591 0.615 . . . . 0.0 111.911 176.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 50.4 tp -59.56 -53.28 59.85 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.959 0.904 . . . . 0.0 110.116 -176.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 mp -60.05 -50.96 71.65 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 124.218 1.007 . . . . 0.0 110.952 -176.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 55.6 mt -63.76 -41.68 93.4 Favored 'Isoleucine or valine' 0 C--N 1.339 0.15 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 178.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.21 -60.9 8.04 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 110.744 -0.943 . . . . 0.0 110.744 177.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 81.9 mt -59.36 -37.08 67.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 O-C-N 122.439 -0.448 . . . . 0.0 110.402 -178.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -58.75 -74.87 0.06 Allowed 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 118.777 0.717 . . . . 0.0 110.778 170.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -78.56 -31.05 47.15 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 117.326 2.343 . . . . 0.0 117.326 -164.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.37 -36.89 79.09 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 120.115 1.325 . . . . 0.0 109.65 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -67.65 -7.0 23.15 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.113 0.965 . . . . 0.0 112.076 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 51.1 m . . . . . 0 CA--C 1.54 0.588 0 O-C-N 120.985 -1.072 . . . . 0.0 109.978 167.73 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.6 mmtm . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 105.967 -1.864 . . . . 0.0 105.967 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 52.5 m80 -65.72 -34.37 78.05 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 122.128 -0.357 . . . . 0.0 110.255 -175.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.3 p -97.1 156.97 16.15 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 106.496 -1.668 . . . . 0.0 106.496 166.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.9 mp -71.62 137.97 48.34 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 120.956 -1.09 . . . . 0.0 109.034 175.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.5 p -83.13 50.99 1.85 Allowed 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -169.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 36.4 mttm 67.96 -73.81 0.08 Allowed 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 125.886 1.675 . . . . 0.0 114.401 168.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -38.92 90.95 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.968 -0.458 . . . . 0.0 110.427 -170.082 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 50.6 mp0 -56.11 -35.43 67.05 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 122.433 0.293 . . . . 0.0 110.534 174.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.88 -43.84 97.72 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 119.87 -0.732 . . . . 0.0 110.469 -174.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -62.82 -20.04 64.65 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.658 -0.651 . . . . 0.0 112.273 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -79.29 -51.55 9.3 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 121.56 0.695 . . . . 0.0 109.897 169.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 tt -52.39 -42.45 64.03 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 125.852 1.661 . . . . 0.0 111.639 -176.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 7.0 pt -62.72 -32.65 56.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 120.095 -1.628 . . . . 0.0 112.608 178.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -63.27 -59.27 4.95 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 115.198 1.555 . . . . 0.0 115.198 -165.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.3 mtmm -92.86 -48.49 6.52 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 122.159 0.981 . . . . 0.0 111.27 -166.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -89.77 -49.18 6.78 Favored 'General case' 0 N--CA 1.437 -1.086 0 C-N-CA 127.181 2.193 . . . . 0.0 112.15 -165.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.7 mt -77.79 -70.12 0.5 Allowed 'General case' 0 C--N 1.342 0.26 0 CA-C-N 119.869 1.213 . . . . 0.0 112.241 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 42.0 p -77.01 93.61 3.85 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -163.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.8 mm . . . . . 0 CA--C 1.537 0.47 0 CA-C-O 120.916 0.388 . . . . 0.0 110.181 170.274 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.4 mp . . . . . 0 CA--C 1.54 0.571 0 CA-C-O 119.753 -0.165 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.4 tmm? -67.12 -56.56 9.47 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 171.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -47.1 -53.13 13.5 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 123.911 0.884 . . . . 0.0 110.71 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -65.84 20.96 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.636 1.974 . . . . 0.0 115.897 -167.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 62.8 tp -65.18 -47.46 76.89 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 121.102 -0.999 . . . . 0.0 109.363 168.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -48.26 -39.51 21.75 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 124.42 1.088 . . . . 0.0 110.408 174.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -6.4 1.49 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.171 1.788 . . . . 0.0 114.099 -177.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -27.32 -77.73 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 128.203 2.601 . . . . 0.0 114.025 176.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -79.7 85.13 5.43 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 121.283 -0.886 . . . . 0.0 110.86 -172.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.1 t70 42.14 49.34 4.29 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 126.643 1.977 . . . . 0.0 111.501 177.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 62.11 4.93 1.32 Allowed 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 115.513 1.671 . . . . 0.0 115.513 175.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -99.05 103.73 15.7 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 119.911 1.232 . . . . 0.0 110.572 -178.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.7 m -93.36 141.52 14.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 121.455 0.645 . . . . 0.0 110.795 170.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -104.34 172.71 6.65 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 128.172 2.589 . . . . 0.0 105.622 166.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -54.28 -43.43 71.02 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-O 118.612 -0.709 . . . . 0.0 112.352 -169.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -54.79 -57.36 11.86 Favored 'General case' 0 C--N 1.338 0.107 0 CA-C-N 118.768 0.713 . . . . 0.0 110.542 -178.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.14 -52.32 65.83 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -176.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -47.05 -56.38 6.59 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.51 1.124 . . . . 0.0 111.127 177.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.9 tp -73.85 -39.76 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 CA-C-O 119.338 -0.363 . . . . 0.0 110.185 -171.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 76.4 m -52.59 -52.61 54.42 Favored 'General case' 0 C--N 1.341 0.196 0 C-N-CA 123.391 0.676 . . . . 0.0 109.274 173.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -53.64 -55.45 25.83 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.744 1.218 . . . . 0.0 110.739 175.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.06 -53.34 10.39 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.036 0.534 . . . . 0.0 111.23 173.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.58 -50.62 59.54 Favored Glycine 0 CA--C 1.526 0.729 0 C-N-CA 124.474 1.035 . . . . 0.0 111.43 178.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.42 -52.45 65.58 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 117.267 0.533 . . . . 0.0 110.719 -178.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.2 mp -70.07 -34.07 72.72 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 121.547 -0.72 . . . . 0.0 110.689 -177.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.7 -50.43 73.23 Favored 'General case' 0 N--CA 1.455 -0.186 0 O-C-N 121.785 -0.572 . . . . 0.0 110.582 173.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 66.5 mtp -48.47 -37.16 16.64 Favored 'General case' 0 C--N 1.341 0.205 0 CA-C-N 118.402 0.546 . . . . 0.0 111.333 175.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 92.9 mt -76.39 -65.4 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 C-N-CA 122.782 0.433 . . . . 0.0 110.126 179.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -77.07 -29.52 55.08 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 -168.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -91.15 24.7 2.76 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.108 0.963 . . . . 0.0 113.546 -167.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 . . . . . 0 CA--C 1.533 0.31 0 C-N-CA 126.017 1.727 . . . . 0.0 114.851 -169.876 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.457 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 25.2 mt -70.42 -43.83 77.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 174.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -40.93 -47.07 4.09 Favored Glycine 0 CA--C 1.527 0.81 0 C-N-CA 125.828 1.68 . . . . 0.0 112.236 170.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -53.25 -57.15 11.52 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.444 0.697 . . . . 0.0 109.271 176.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 78.5 mt -58.18 -47.05 84.63 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 122.861 0.464 . . . . 0.0 110.803 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 66.5 mt -52.16 -49.96 38.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 123.625 0.77 . . . . 0.0 109.918 177.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.92 -63.31 4.7 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 178.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.4 mp -52.65 -47.36 49.91 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.198 0 CA-C-O 117.737 -1.125 . . . . 0.0 111.032 -173.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -40.82 -71.04 0.09 Allowed 'General case' 0 C--N 1.342 0.242 0 CA-C-N 119.214 0.916 . . . . 0.0 109.414 176.069 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -79.18 -24.95 42.86 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 119.972 -0.691 . . . . 0.0 111.304 -169.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.45 -32.56 71.5 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 118.37 -1.332 . . . . 0.0 109.977 170.053 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -86.65 34.83 0.66 Allowed 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.913 1.685 . . . . 0.0 110.742 169.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 95.0 p -122.79 24.94 8.89 Favored 'General case' 0 CA--C 1.529 0.171 0 O-C-N 121.101 -0.999 . . . . 0.0 109.463 165.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.64 0 N-CA-C 107.328 -2.309 . . . . 0.0 107.328 179.89 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.401 0 CA-C-O 119.413 -0.327 . . . . 0.0 110.357 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -173.55 -154.44 0.07 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 127.122 2.169 . . . . 0.0 107.225 171.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.89 162.57 6.72 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 125.391 1.476 . . . . 0.0 109.831 169.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 5.7 mp -68.44 91.38 0.4 Allowed 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -168.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.5 m -51.81 65.96 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 129.522 3.129 . . . . 0.0 118.091 -170.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 26.9 mttm 53.23 -76.92 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 115.859 1.8 . . . . 0.0 115.859 165.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.13 -36.44 72.95 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 121.916 0.865 . . . . 0.0 109.847 177.325 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -60.36 -48.97 79.47 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.039 173.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 18.7 tp -64.96 -40.95 95.77 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 -177.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -51.15 -50.16 59.46 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.272 0.629 . . . . 0.0 110.107 170.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -55.59 -49.42 72.8 Favored 'General case' 0 C--N 1.339 0.137 0 CA-C-N 118.585 0.63 . . . . 0.0 111.01 174.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.75 -46.3 74.31 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 124.029 0.932 . . . . 0.0 109.845 -175.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 1.2 pp -70.78 -36.06 63.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 O-C-N 121.956 -0.465 . . . . 0.0 111.839 177.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -56.56 -55.33 35.28 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 121.552 0.691 . . . . 0.0 109.353 176.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -92.28 -92.01 0.16 Allowed 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 126.538 1.935 . . . . 0.0 110.268 -169.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 41.3 mp0 -45.75 -51.89 11.89 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 124.892 1.277 . . . . 0.0 113.221 -171.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 9.1 mt -74.62 9.05 1.96 Allowed 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 113.731 1.011 . . . . 0.0 113.731 -171.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.17 95.0 1.23 Allowed 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 170.013 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 30.6 mm 69.63 -29.61 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 N-CA-C 115.33 1.604 . . . . 0.0 115.33 168.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.718 0 O-C-N 120.56 -1.338 . . . . 0.0 110.058 -171.989 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . 0.465 ' C ' ' H ' ' B' ' 60' ' ' LEU . 0.3 OUTLIER . . . . . 0 CA--C 1.508 -0.656 0 N-CA-C 115.754 1.761 . . . . 0.0 115.754 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.79 26.77 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.211 0 O-C-N 120.918 -1.114 . . . . 0.0 110.936 164.536 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.465 ' H ' ' C ' ' B' ' 58' ' ' ASP . 60.6 tp -47.26 -32.14 4.34 Favored 'General case' 0 C--N 1.343 0.325 0 O-C-N 118.542 -2.599 . . . . 0.0 110.601 169.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -36.66 -35.69 0.09 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 129.003 2.921 . . . . 0.0 110.544 167.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 11.8 ptp85 -42.16 -42.04 2.87 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.4 1.08 . . . . 0.0 111.965 176.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -43.87 -38.35 3.29 Favored 'General case' 0 C--N 1.34 0.153 0 C-N-CA 126.104 1.762 . . . . 0.0 112.262 178.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.78 54.52 1.5 Allowed 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.271 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 46.61 42.02 10.71 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.989 1.315 . . . . 0.0 112.673 172.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 56.25 28.38 13.18 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.865 1.266 . . . . 0.0 112.432 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -148.27 82.34 1.48 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 122.521 1.153 . . . . 0.0 109.077 -172.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 29.3 m -78.44 154.76 5.04 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.697 0 CA-C-N 114.462 -1.245 . . . . 0.0 113.885 -168.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -105.22 171.06 7.52 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 129.081 2.952 . . . . 0.0 107.453 168.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -48.44 -45.25 36.2 Favored 'General case' 0 C--N 1.343 0.285 0 C-N-CA 124.919 1.287 . . . . 0.0 112.854 -169.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -60.76 -55.44 33.15 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 -175.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -65.74 -49.85 66.91 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 -174.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -41.02 -53.85 2.9 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 126.033 1.733 . . . . 0.0 110.234 171.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 6.3 mm -65.04 -60.52 2.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-O 118.665 -0.683 . . . . 0.0 110.718 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 96.7 m -45.32 -48.47 13.16 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 122.687 1.232 . . . . 0.0 109.473 -174.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -56.54 -61.44 2.41 Favored 'General case' 0 N--CA 1.437 -1.077 0 C-N-CA 126.263 1.825 . . . . 0.0 112.42 174.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.0 -39.08 71.34 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 118.438 0.563 . . . . 0.0 110.466 -177.264 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.56 -51.36 59.29 Favored Glycine 0 CA--C 1.527 0.816 0 C-N-CA 124.847 1.213 . . . . 0.0 112.179 172.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.66 -51.09 64.27 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 117.017 0.409 . . . . 0.0 110.464 178.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.27 -44.58 91.28 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 120.49 0.186 . . . . 0.0 110.535 178.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.13 -47.63 68.52 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 124.063 0.945 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 63.8 mtm -55.41 -19.61 9.73 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 175.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 35.5 mm -89.15 -66.46 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-N 119.605 1.093 . . . . 0.0 109.428 173.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -83.47 -37.18 23.47 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 -169.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -90.81 27.38 1.8 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.992 1.717 . . . . 0.0 111.759 -169.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 . . . . . 0 N--CA 1.448 -0.533 0 CA-C-O 123.727 1.727 . . . . 0.0 115.131 -171.168 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 40.5 mm . . . . . 0 C--O 1.235 0.292 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.39 -50.91 28.43 Favored Glycine 0 CA--C 1.528 0.89 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 173.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 46.6 mt -62.23 -43.17 99.44 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 117.967 -1.016 . . . . 0.0 111.287 178.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.4 mt -58.16 -46.98 84.77 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 120.463 1.483 . . . . 0.0 110.153 -175.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 83.0 mt -68.33 -50.39 57.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 124.252 1.021 . . . . 0.0 109.986 177.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.09 -53.07 47.93 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 124.078 0.846 . . . . 0.0 112.088 -173.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.0 tt -65.48 -30.34 49.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 O-C-N 121.928 -0.748 . . . . 0.0 111.051 -174.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -44.65 -65.76 0.48 Allowed 'General case' 0 C--O 1.225 -0.234 0 C-N-CA 123.901 0.88 . . . . 0.0 113.091 -169.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -79.61 -8.21 59.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 118.856 -0.592 . . . . 0.0 111.759 178.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 tpmp? -71.12 -54.11 12.22 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 174.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -76.54 88.21 3.26 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 106.288 -1.745 . . . . 0.0 106.288 176.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.3 p . . . . . 0 C--N 1.324 -0.512 0 C-N-CA 128.892 2.877 . . . . 0.0 106.335 -169.908 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? . . . . . 0 N--CA 1.449 -0.477 0 CA-C-O 121.277 0.561 . . . . 0.0 110.21 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -142.93 -46.06 0.31 Allowed 'General case' 0 C--O 1.225 -0.2 0 C-N-CA 124.565 1.146 . . . . 0.0 109.99 -176.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.31 142.43 55.53 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 125.18 1.392 . . . . 0.0 112.064 -175.181 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.0 mt -67.75 82.67 0.19 Allowed 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 125.708 1.603 . . . . 0.0 109.416 -177.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.1 m -69.59 77.72 0.42 Allowed 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 125.205 1.402 . . . . 0.0 112.83 -169.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.284 0.1 OUTLIER 50.08 -72.68 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 128.68 2.792 . . . . 0.0 114.953 170.042 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.74 -25.7 68.04 Favored 'General case' 0 N--CA 1.453 -0.285 0 O-C-N 121.277 -0.889 . . . . 0.0 109.851 175.258 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -72.73 -46.25 54.51 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -56.62 -52.02 66.46 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 173.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.07 -38.54 57.52 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.784 0.834 . . . . 0.0 111.542 176.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -62.65 -59.39 4.97 Favored 'General case' 0 C--O 1.232 0.156 0 O-C-N 121.046 -1.034 . . . . 0.0 109.875 175.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.86 -55.42 14.36 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 124.542 1.137 . . . . 0.0 111.119 -175.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.8 tt -66.0 -44.9 92.04 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.534 -175.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -69.6 -47.13 64.56 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 -174.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -90.68 -53.13 4.54 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -169.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -91.0 -54.34 4.0 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 -165.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.0 mt -49.91 -75.88 0.03 OUTLIER 'General case' 0 C--O 1.233 0.208 0 N-CA-C 116.469 2.026 . . . . 0.0 116.469 -165.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 66.2 p -53.29 -18.89 2.74 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 116.032 1.864 . . . . 0.0 116.032 -166.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 23.8 pt . . . . . 0 N--CA 1.449 -0.478 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -175.244 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.5 tp . . . . . 0 N--CA 1.454 -0.225 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 44.3 tpp -58.64 -51.89 67.99 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 121.088 0.47 . . . . 0.0 110.255 177.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.88 -33.82 57.58 Favored 'General case' 0 C--N 1.333 -0.109 0 C-N-CA 123.801 0.84 . . . . 0.0 112.079 173.298 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.06 5.96 0.45 Allowed 'General case' 0 C--O 1.22 -0.484 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 175.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 60.9 tp -54.23 -21.23 8.5 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 119.702 -1.874 . . . . 0.0 111.112 167.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.422 ' CG ' ' HZ3' ' A' ' 64' ' ' LYS . 1.6 p-10 -60.34 -16.23 33.06 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 169.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . 0.253 0.0 OUTLIER -29.03 -27.6 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 129.136 2.974 . . . . 0.0 117.921 -168.646 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -44.12 -44.81 7.85 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 116.907 -1.521 . . . . 0.0 111.007 168.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.422 ' HZ3' ' CG ' ' A' ' 61' ' ' ASP . 52.0 mttp 32.81 58.8 0.43 Allowed 'General case' 0 CA--C 1.535 0.391 0 O-C-N 124.614 1.196 . . . . 0.0 110.161 169.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.25 29.31 0.05 Allowed 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 125.606 1.562 . . . . 0.0 114.64 -165.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 63.37 153.24 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 128.201 2.6 . . . . 0.0 112.236 -175.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 37.46 49.98 1.04 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.853 1.661 . . . . 0.0 112.412 173.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 32.9 m -74.96 157.34 6.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-O 121.328 0.585 . . . . 0.0 110.721 -171.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -106.94 168.75 8.98 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.022 1.729 . . . . 0.0 110.834 -169.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -56.48 -37.27 70.13 Favored 'General case' 0 C--O 1.219 -0.542 0 C-N-CA 123.747 0.819 . . . . 0.0 111.697 -173.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.57 -57.03 14.12 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 119.513 1.052 . . . . 0.0 110.174 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -54.95 -59.99 3.98 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 -177.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -45.57 -60.74 2.02 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 126.087 1.755 . . . . 0.0 111.087 177.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 8.0 tp -68.87 -37.36 77.26 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.229 0 C-N-CA 123.768 0.827 . . . . 0.0 110.744 -170.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 56.9 m -63.54 -48.94 75.45 Favored 'General case' 0 CA--C 1.528 0.101 0 CA-C-N 118.603 0.638 . . . . 0.0 109.448 178.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -52.11 -56.73 12.58 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.481 0.712 . . . . 0.0 110.737 171.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.43 -37.88 27.28 Favored 'General case' 0 C--O 1.222 -0.392 0 C-N-CA 124.208 1.003 . . . . 0.0 111.436 174.229 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.4 -51.79 20.53 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.46 -1.056 . . . . 0.0 110.46 174.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.31 -55.97 25.71 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 117.781 0.791 . . . . 0.0 110.316 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 65.9 mt -51.88 -49.71 62.45 Favored 'General case' 0 C--O 1.223 -0.29 0 C-N-CA 123.31 0.644 . . . . 0.0 110.166 -176.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.42 ' HA ' ' CE1' ' A' ' 84' ' ' TYR . . . -73.2 -45.06 58.51 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 125.295 1.438 . . . . 0.0 111.372 -172.058 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -49.69 -53.11 26.41 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 173.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 92.6 mt -68.36 -58.04 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 O-C-N 124.594 1.184 . . . . 0.0 109.876 -175.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.42 ' CE1' ' HA ' ' A' ' 81' ' ' ALA 0.401 0.0 OUTLIER -71.61 -18.94 62.18 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 -169.377 . . . . . . . . 4 4 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 -90.98 -100.57 0.11 Allowed 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 104.293 -2.484 . . . . 0.0 104.293 166.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.519 -0.249 0 C-N-CA 129.254 3.022 . . . . 0.0 103.293 166.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.215 0 CA-C-O 119.374 -0.346 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 22.3 mt -58.36 -46.45 89.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 177.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.3 -50.26 47.57 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.301 -0.719 . . . . 0.0 111.301 175.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 47.9 tp -63.33 -55.91 20.76 Favored 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 121.768 -0.843 . . . . 0.0 110.263 -178.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 85.7 mt -63.59 -69.15 0.29 Allowed 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 -178.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 4.1 mm -90.54 -24.5 5.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-O 118.148 -0.929 . . . . 0.0 112.798 -169.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.23 -50.7 43.33 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 108.782 -1.727 . . . . 0.0 108.782 -179.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 32.2 mt -61.72 -50.22 81.14 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 C-N-CA 122.646 0.378 . . . . 0.0 111.363 175.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -28.94 -76.17 0.02 OUTLIER 'General case' 0 C--N 1.341 0.204 0 C-N-CA 126.325 1.85 . . . . 0.0 114.234 -166.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -76.16 -17.9 59.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.409 -172.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm -67.55 -35.56 79.29 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 118.765 0.711 . . . . 0.0 110.225 -173.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -74.88 72.72 2.09 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-O 123.142 1.449 . . . . 0.0 108.609 175.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 7.0 t -175.72 -31.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 128.005 2.522 . . . . 0.0 108.248 -168.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.762 0 N-CA-C 108.68 -1.768 . . . . 0.0 108.68 -173.375 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 21.7 ttpp . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 121.823 0.821 . . . . 0.0 108.869 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -53.62 -33.5 55.27 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.26 0.624 . . . . 0.0 110.831 170.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 5.3 p -74.43 148.08 41.45 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.372 1.069 . . . . 0.0 111.788 -177.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 2.0 mp -85.54 138.72 32.01 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 104.912 -2.255 . . . . 0.0 104.912 169.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.31 165.59 20.22 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 119.095 -1.042 . . . . 0.0 108.915 170.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.49 ' HZ1' ' CG ' ' B' ' 61' ' ' ASP . 31.3 mttm -75.84 62.52 1.57 Allowed 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 121.958 0.885 . . . . 0.0 110.191 178.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -163.31 -58.36 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 126.942 2.097 . . . . 0.0 105.411 -175.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -56.23 -45.38 79.97 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 169.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 53.4 tp -56.91 -43.08 81.01 Favored 'General case' 0 C--N 1.343 0.322 0 C-N-CA 120.649 -0.42 . . . . 0.0 111.194 -179.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.25 -29.43 9.55 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.457 0.703 . . . . 0.0 111.847 178.511 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -82.5 -59.61 2.47 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 118.631 0.651 . . . . 0.0 109.987 178.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 tt -42.1 -53.6 3.9 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 125.302 1.441 . . . . 0.0 111.017 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 13.4 tt -61.21 -24.61 33.83 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.671 0 CA-C-N 114.779 -1.1 . . . . 0.0 112.481 -169.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -84.46 -59.87 2.25 Favored 'General case' 0 N--CA 1.45 -0.462 0 O-C-N 121.627 -0.67 . . . . 0.0 110.902 -177.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 13.2 mtmm -93.13 -61.88 1.49 Allowed 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 121.422 0.63 . . . . 0.0 112.416 -171.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 39.0 mp0 -55.61 -21.71 18.98 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 126.924 2.089 . . . . 0.0 116.026 -166.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 68.6 mt -65.13 27.01 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 116.699 2.111 . . . . 0.0 116.699 -176.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 39.6 m 69.49 -80.61 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.159 0 O-C-N 120.44 -1.413 . . . . 0.0 112.125 168.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 20.6 tt -59.51 -41.36 84.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 169.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.955 174.575 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . 0.483 ' C ' ' H ' ' B' ' 60' ' ' LEU . 73.9 m-20 . . . . . 0 N--CA 1.466 0.355 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . 0.426 ' CG ' ' HE ' ' B' ' 62' ' ' ARG . 14.0 p-10 -64.24 26.41 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.569 1.148 . . . . 0.0 111.078 163.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.483 ' H ' ' C ' ' B' ' 58' ' ' ASP . 3.4 pp -41.54 -27.42 0.09 Allowed 'General case' 0 C--N 1.345 0.405 0 C-N-CA 130.891 3.676 . . . . 0.0 114.604 -169.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.49 ' CG ' ' HZ1' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -44.44 -24.17 0.16 Allowed 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.998 1.319 . . . . 0.0 111.58 166.657 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . 0.426 ' HE ' ' CG ' ' B' ' 59' ' ' ASP . 25.2 ttp85 -47.94 -13.16 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 127.585 2.354 . . . . 0.0 112.994 169.13 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -31.79 -44.45 0.08 Allowed 'General case' 0 C--N 1.343 0.299 0 C-N-CA 126.479 1.912 . . . . 0.0 110.834 165.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . 0.434 ' HZ2' ' CG ' ' B' ' 65' ' ' ASP . 0.1 OUTLIER 106.99 -29.06 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 129.896 3.278 . . . . 0.0 110.848 173.153 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.434 ' CG ' ' HZ2' ' B' ' 64' ' ' LYS . 0.7 OUTLIER -78.3 9.93 3.46 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.281 1.432 . . . . 0.0 112.063 -168.782 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -156.42 163.44 39.45 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 125.729 1.611 . . . . 0.0 107.607 -178.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -121.1 151.3 40.02 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 168.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 6.7 t -63.03 102.27 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.186 0 O-C-N 123.668 0.605 . . . . 0.0 110.627 -167.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -100.34 -179.26 4.06 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 169.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -55.09 -39.66 69.55 Favored 'General case' 0 N--CA 1.449 -0.504 0 O-C-N 121.941 -0.474 . . . . 0.0 110.84 -176.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -55.59 -57.51 11.65 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 118.298 0.499 . . . . 0.0 111.803 175.076 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 57.1 mp0 -56.41 -54.42 45.83 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 -177.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -47.23 -52.24 16.51 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.349 1.06 . . . . 0.0 110.656 176.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 2.6 mm -55.15 -46.59 77.69 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.426 0 CA-C-O 117.334 -1.317 . . . . 0.0 110.88 -175.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 3.6 m -30.78 -61.02 0.19 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.603 1.161 . . . . 0.0 113.803 -169.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.15 -43.48 64.58 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 119.018 -0.515 . . . . 0.0 111.808 -179.432 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 4.5 mp -51.34 -47.92 62.58 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-N 119.004 0.82 . . . . 0.0 110.294 174.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.77 -57.3 20.51 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 177.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.81 -45.34 59.39 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.128 0.571 . . . . 0.0 112.044 -178.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 61.3 mt -81.27 -39.97 24.43 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.212 0.605 . . . . 0.0 110.897 -176.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.19 -36.08 67.98 Favored 'General case' 0 CA--C 1.521 -0.154 0 C-N-CA 125.251 1.421 . . . . 0.0 110.847 176.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.27 -43.15 1.09 Allowed 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.989 0.916 . . . . 0.0 110.1 169.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.9 mp -89.72 -70.23 0.56 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 C-N-CA 124.07 0.948 . . . . 0.0 109.669 173.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -60.94 -25.54 66.86 Favored 'General case' 0 C--N 1.341 0.213 0 N-CA-C 116.188 1.921 . . . . 0.0 116.188 -165.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -60.29 -59.25 5.71 Favored 'General case' 0 C--O 1.226 -0.146 0 CA-C-N 119.498 1.045 . . . . 0.0 110.108 -172.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.531 0.243 0 C-N-CA 127.132 2.173 . . . . 0.0 108.151 175.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 65.4 mt . . . . . 0 CA--C 1.533 0.29 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.71 -35.11 11.31 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-O 118.001 -1.444 . . . . 0.0 113.414 171.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 22.5 mt -58.59 -34.59 71.27 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 120.556 2.178 . . . . 0.0 111.71 175.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mp -63.56 -58.23 7.63 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.585 0.63 . . . . 0.0 109.665 -175.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.3 mt -68.51 -29.71 44.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-N 118.414 0.552 . . . . 0.0 110.839 173.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.93 -62.88 5.73 Favored Glycine 0 C--O 1.222 -0.602 0 C-N-CA 124.822 1.201 . . . . 0.0 111.223 -178.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 65.8 mt -52.38 -45.88 45.75 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-N 118.01 0.905 . . . . 0.0 109.961 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -49.49 -73.99 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.582 1.153 . . . . 0.0 110.883 171.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -79.52 0.02 31.46 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 116.021 1.86 . . . . 0.0 116.021 -172.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.6 tttt -51.91 -53.84 36.27 Favored 'General case' 0 CA--C 1.527 0.085 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 167.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -68.09 -27.19 66.28 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.498 -0.774 . . . . 0.0 112.022 -176.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.4 m . . . . . 0 CA--C 1.53 0.187 0 CA-C-O 118.896 -0.573 . . . . 0.0 112.439 170.697 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.537 0.445 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.529 ' CG ' ' H ' ' A' ' 28' ' ' THR . 1.9 p80 -58.14 -90.26 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 117.062 2.245 . . . . 0.0 117.062 -169.045 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.529 ' H ' ' CG ' ' A' ' 27' ' ' HIS . 9.6 p -153.75 171.55 18.7 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 126.273 1.829 . . . . 0.0 107.162 -165.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.1 pp -103.84 142.02 35.11 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 104.589 -2.375 . . . . 0.0 104.589 165.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 97.2 p -83.99 46.57 1.2 Allowed 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.117 -0.989 . . . . 0.0 113.282 -165.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.318 0.0 OUTLIER 64.2 -48.19 0.29 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 127.672 2.389 . . . . 0.0 116.913 173.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.08 -47.24 83.81 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 120.784 1.629 . . . . 0.0 109.012 -176.188 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -51.55 -29.26 16.36 Favored 'General case' 0 N--CA 1.44 -0.946 0 C-N-CA 125.178 1.391 . . . . 0.0 112.174 175.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.69 -37.09 77.87 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.454 -0.779 . . . . 0.0 109.893 176.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 43.1 mmtt -66.27 -15.83 63.53 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.618 -0.676 . . . . 0.0 112.46 175.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -90.64 -43.73 9.97 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 122.143 0.973 . . . . 0.0 110.267 174.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.7 tt -49.36 -54.98 14.51 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.409 1.884 . . . . 0.0 110.399 172.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 15.0 tt -55.42 -46.14 78.47 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 O-C-N 121.682 -0.636 . . . . 0.0 111.935 -176.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.9 mm100 -58.82 -57.65 12.1 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 122.552 0.341 . . . . 0.0 111.147 -172.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.9 mtmm -91.55 -64.74 1.08 Allowed 'General case' 0 N--CA 1.457 -0.125 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 -174.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.2 mp0 -60.65 -44.86 95.93 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 118.583 -0.723 . . . . 0.0 111.809 -171.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.3 mt -79.66 14.96 1.48 Allowed 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.695 1.134 . . . . 0.0 113.076 174.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m 72.0 -70.06 0.17 Allowed 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 125.187 1.395 . . . . 0.0 114.406 167.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 34.4 mt . . . . . 0 CA--C 1.534 0.349 0 C-N-CA 128.982 2.913 . . . . 0.0 109.991 -169.346 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 CA--C 1.536 0.432 0 CA-C-O 118.919 -0.562 . . . . 0.0 111.686 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 30.8 mmt -54.78 -55.32 31.35 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 119.286 0.948 . . . . 0.0 110.498 176.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -48.38 -58.6 4.37 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.964 0.888 . . . . 0.0 110.401 173.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.3 5.39 1.74 Allowed 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 118.466 -1.293 . . . . 0.0 112.997 -172.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 43.6 tp -56.69 -20.33 21.19 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 120.369 -1.457 . . . . 0.0 109.457 166.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -48.17 -26.69 2.01 Favored 'General case' 0 C--N 1.345 0.391 0 C-N-CA 124.073 0.949 . . . . 0.0 112.723 168.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.31 -21.34 14.43 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.291 1.436 . . . . 0.0 112.953 174.578 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -27.66 -75.71 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 126.663 1.985 . . . . 0.0 115.953 -169.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.92 43.5 2.26 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 119.606 1.094 . . . . 0.0 108.16 168.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.9 t0 8.79 53.74 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 130.706 3.602 . . . . 0.0 115.954 -168.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 173.18 175.48 0.11 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 128.528 2.731 . . . . 0.0 106.05 175.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 33.92 78.03 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 126.895 2.078 . . . . 0.0 113.173 169.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.1 m -91.17 127.84 43.32 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 174.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -93.66 171.03 9.14 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 126.987 2.115 . . . . 0.0 109.834 -179.175 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -51.83 -48.49 63.91 Favored 'General case' 0 C--O 1.217 -0.623 0 C-N-CA 123.716 0.806 . . . . 0.0 110.915 -175.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.65 -51.0 30.54 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.721 0.808 . . . . 0.0 111.748 177.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -60.4 -58.79 6.98 Favored 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 121.689 -0.632 . . . . 0.0 109.612 177.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -51.41 -44.18 62.17 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.378 1.071 . . . . 0.0 112.113 -177.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 8.7 tp -78.3 -39.8 24.67 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 O-C-N 121.418 -0.801 . . . . 0.0 108.847 -173.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 42.9 m -50.58 -47.77 57.9 Favored 'General case' 0 C--N 1.345 0.371 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 169.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -50.16 -67.52 0.25 Allowed 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 124.828 1.251 . . . . 0.0 110.968 175.216 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -38.87 -48.41 1.55 Allowed 'General case' 0 C--O 1.223 -0.303 0 C-N-CA 124.716 1.206 . . . . 0.0 111.863 171.246 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.49 -56.41 23.72 Favored Glycine 0 CA--C 1.525 0.698 0 C-N-CA 124.63 1.11 . . . . 0.0 111.457 178.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.39 -56.54 20.23 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -178.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -53.9 -49.74 67.92 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 122.978 0.511 . . . . 0.0 110.204 -177.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.71 -53.15 42.42 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-N 118.723 0.692 . . . . 0.0 111.255 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 71.0 mtp -55.32 -29.58 58.56 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 118.438 0.563 . . . . 0.0 112.413 177.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 71.8 mt -91.17 -38.08 10.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 C-N-CA 125.616 1.567 . . . . 0.0 112.486 -169.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 14.6 p90 -93.85 -48.63 6.2 Favored 'General case' 0 C--N 1.341 0.211 0 C-N-CA 124.134 0.974 . . . . 0.0 113.007 174.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -78.36 27.39 0.2 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.299 1.439 . . . . 0.0 113.005 -170.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 . . . . . 0 CA--C 1.54 0.585 0 C-N-CA 129.438 3.095 . . . . 0.0 113.616 -177.298 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.403 0 CA-C-O 121.25 0.548 . . . . 0.0 110.764 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 4.5 mp -60.23 -47.08 93.6 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 173.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -44.8 -49.19 9.05 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 124.309 0.957 . . . . 0.0 112.147 172.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 63.1 tp -62.72 -47.97 81.27 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 117.93 0.865 . . . . 0.0 110.215 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 96.1 mt -57.06 -44.7 83.26 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 118.412 0.551 . . . . 0.0 111.104 177.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 94.4 mt -60.25 -42.5 90.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 123.278 0.631 . . . . 0.0 109.842 174.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.37 -61.3 7.37 Favored Glycine 0 CA--C 1.524 0.613 0 C-N-CA 124.655 1.122 . . . . 0.0 110.54 176.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 35.8 mm -53.11 -52.81 26.55 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 CA-C-N 117.786 0.793 . . . . 0.0 109.716 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -42.21 -65.44 0.46 Allowed 'General case' 0 C--N 1.339 0.146 0 C-N-CA 123.693 0.797 . . . . 0.0 110.87 172.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . 0.4 1.1 m-70 -79.53 3.27 19.28 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 115.559 1.688 . . . . 0.0 115.559 -177.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.33 -32.49 62.83 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 106.037 -1.838 . . . . 0.0 106.037 163.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -102.28 42.0 1.18 Allowed 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 126.417 1.887 . . . . 0.0 109.925 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 57.3 m -67.59 -14.89 63.33 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 116.409 2.003 . . . . 0.0 116.409 -172.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.667 0 N-CA-C 105.038 -3.225 . . . . 0.0 105.038 -165.386 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.307 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 1.1 p80 179.33 -36.06 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.337 1.055 . . . . 0.0 113.569 174.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 3.1 p -136.14 170.76 15.5 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 -169.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 11.9 mt -73.35 73.94 1.35 Allowed 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.085 -1.079 . . . . 0.0 108.085 169.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 47.1 m -67.99 72.34 0.17 Allowed 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.771 1.228 . . . . 0.0 113.165 -174.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 21.8 mttm 67.51 -70.25 0.12 Allowed 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 127.211 2.204 . . . . 0.0 113.476 168.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.418 ' NZ ' ' OE2' ' B' ' 33' ' ' GLU . 0.0 OUTLIER -62.67 -50.53 70.82 Favored 'General case' 0 C--O 1.226 -0.181 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 -174.534 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . 0.418 ' OE2' ' NZ ' ' B' ' 32' ' ' LYS . 0.4 OUTLIER -47.6 -44.06 26.23 Favored 'General case' 0 N--CA 1.462 0.136 0 C-N-CA 125.484 1.513 . . . . 0.0 110.821 172.183 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.4 -45.97 85.3 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 -179.182 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 39.9 mmtt -66.64 -30.15 70.35 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 120.864 -1.148 . . . . 0.0 112.363 176.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -50.5 -43.35 55.6 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.086 1.754 . . . . 0.0 108.577 168.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.35 -58.86 4.02 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.301 1.441 . . . . 0.0 111.321 171.224 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . 0.255 1.4 pt -56.49 -46.02 82.19 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.561 0 CA-C-N 118.356 0.525 . . . . 0.0 112.409 -168.304 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -68.92 -40.68 78.91 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 118.51 -1.276 . . . . 0.0 109.715 -169.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -92.83 -86.77 0.24 Allowed 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 -172.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 37.1 mp0 -78.11 -27.81 48.44 Favored 'General case' 0 C--N 1.341 0.199 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 -165.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -29.22 -61.85 0.13 Allowed 'General case' 0 C--N 1.34 0.18 0 N-CA-C 117.218 2.303 . . . . 0.0 117.218 -168.335 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 12.3 t -151.48 129.98 12.18 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 -166.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 6.0 pt -140.19 -112.3 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 N-CA-C 106.876 -1.527 . . . . 0.0 106.876 169.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.887 0 C-N-CA 125.365 1.46 . . . . 0.0 112.363 177.203 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.469 0.476 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -65.93 -1.67 3.23 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.715 0.806 . . . . 0.0 111.366 167.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -56.85 -6.53 0.34 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.489 1.516 . . . . 0.0 114.946 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -52.46 -24.55 8.14 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 122.258 1.027 . . . . 0.0 109.448 163.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 35.1 ttm-85 -47.55 -27.99 2.06 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 125.411 1.484 . . . . 0.0 112.896 170.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -47.85 -34.89 9.42 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.258 0.623 . . . . 0.0 112.09 173.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . 0.409 ' HZ3' ' CD ' ' B' ' 72' ' ' GLU . 0.5 OUTLIER -119.07 50.73 1.19 Allowed 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 107.818 -1.179 . . . . 0.0 107.818 175.581 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 16.3 t0 28.93 51.92 0.07 Allowed 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 126.394 1.878 . . . . 0.0 112.873 -175.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 57.9 29.63 17.88 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.451 -0.78 . . . . 0.0 111.03 168.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -127.87 57.56 1.53 Allowed 'General case' 0 C--O 1.234 0.288 0 C-N-CA 124.985 1.314 . . . . 0.0 109.293 -169.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 32.1 m -91.24 132.38 35.91 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 CA-C-O 121.158 0.504 . . . . 0.0 111.163 -169.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -85.8 175.52 8.63 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.189 1.396 . . . . 0.0 107.696 168.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -52.81 -44.7 66.84 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 119.372 0.987 . . . . 0.0 111.939 -172.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -54.93 -50.94 67.62 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 118.291 0.496 . . . . 0.0 109.766 178.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.409 ' CD ' ' HZ3' ' B' ' 64' ' ' LYS . 41.8 mt-10 -68.59 -47.4 66.84 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.231 1.012 . . . . 0.0 109.805 -172.273 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -49.66 -52.12 33.2 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 124.558 1.143 . . . . 0.0 109.664 169.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 11.8 mm -61.56 -51.7 69.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 CA-C-O 118.688 -0.673 . . . . 0.0 110.096 -178.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 90.5 m -49.8 -49.97 46.64 Favored 'General case' 0 CA--C 1.523 -0.064 0 CA-C-N 119.397 0.999 . . . . 0.0 110.117 177.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -56.82 -53.93 52.18 Favored 'General case' 0 N--CA 1.445 -0.689 0 C-N-CA 124.549 1.14 . . . . 0.0 111.372 179.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 78.0 mt -54.53 -58.97 5.42 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 173.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -34.32 -51.56 0.72 Allowed Glycine 0 CA--C 1.528 0.854 0 C-N-CA 127.731 2.586 . . . . 0.0 113.918 173.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.23 -42.02 76.64 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 117.823 0.812 . . . . 0.0 111.444 -179.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 48.7 mt -82.77 -29.58 29.56 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.095 0.558 . . . . 0.0 110.578 178.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -49.67 -57.81 6.51 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 125.411 1.484 . . . . 0.0 113.229 -168.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 67.9 mmm -66.6 -12.57 58.58 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.771 0.714 . . . . 0.0 112.786 -178.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 36.0 mt -84.32 -62.37 1.5 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 171.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -90.25 -43.36 10.44 Favored 'General case' 0 C--N 1.339 0.109 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 -169.434 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -87.04 27.91 0.97 Allowed 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 127.034 2.134 . . . . 0.0 112.911 -166.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 . . . . . 0 CA--C 1.538 0.512 0 CA-C-N 119.355 0.979 . . . . 0.0 111.629 172.788 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 22.5 mm . . . . . 0 CA--C 1.531 0.236 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -51.65 -53.57 28.6 Favored Glycine 0 CA--C 1.526 0.779 0 C-N-CA 124.357 0.98 . . . . 0.0 111.648 174.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -58.4 -55.23 37.73 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.01 0.905 . . . . 0.0 109.566 -177.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -59.21 -52.16 66.9 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.645 0.378 . . . . 0.0 111.083 -176.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 49.7 mt -61.8 -42.82 95.97 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 118.121 0.419 . . . . 0.0 110.02 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.67 -59.61 9.91 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 111.696 -0.562 . . . . 0.0 111.696 -178.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.1 mt -53.73 -41.96 49.68 Favored 'Isoleucine or valine' 0 C--N 1.341 0.205 0 CA-C-O 118.143 -0.932 . . . . 0.0 111.869 -169.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -32.14 -68.36 0.09 Allowed 'General case' 0 C--N 1.342 0.259 0 C-N-CA 124.828 1.251 . . . . 0.0 110.079 172.293 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -91.1 10.41 26.97 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -169.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.6 tttt -53.18 -42.03 65.82 Favored 'General case' 0 C--N 1.342 0.251 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 170.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -73.42 83.07 1.45 Allowed 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 169.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.2 m . . . . . 0 CA--C 1.541 0.614 1 C-N-CA 131.898 4.079 . . . . 0.0 111.057 -172.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.8 tttp . . . . . 0 CA--C 1.531 0.231 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 22.0 p80 179.07 151.17 0.32 Allowed 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 124.513 1.125 . . . . 0.0 109.592 166.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.76 154.61 32.77 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.518 1.127 . . . . 0.0 109.27 168.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -104.66 -177.42 3.36 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 167.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 79.0 p -113.04 162.03 16.38 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 168.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.54 -28.27 53.79 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -171.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.2 pttm -66.26 -29.97 70.32 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 118.288 -0.863 . . . . 0.0 112.4 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -70.73 -51.92 24.24 Favored 'General case' 0 C--N 1.342 0.242 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 169.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -50.45 -46.59 56.79 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.433 -175.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -41.72 -43.03 2.74 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.845 1.658 . . . . 0.0 112.5 174.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.08 -41.85 27.75 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 117.873 0.306 . . . . 0.0 111.229 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.9 tt -57.73 -59.9 4.5 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 125.307 1.443 . . . . 0.0 110.459 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.2 tt -54.26 -57.74 5.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 C-N-CA 124.599 1.159 . . . . 0.0 111.571 -169.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -81.59 -31.69 32.43 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -168.555 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.6 mtmm -77.88 -55.58 5.19 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 118.335 -1.346 . . . . 0.0 110.001 -178.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -91.99 -57.44 2.72 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -169.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -70.79 -56.98 5.12 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 -167.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 68.7 p -76.3 101.17 5.37 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -168.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 19.2 mt . . . . . 0 CA--C 1.536 0.432 0 N-CA-C 106.508 -1.664 . . . . 0.0 106.508 167.089 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.1 tp . . . . . 0 CA--C 1.531 0.239 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 50.8 ttm -58.66 -53.35 59.29 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 177.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -53.69 -43.87 69.27 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.348 1.859 . . . . 0.0 110.83 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -56.02 -70.83 0.1 Allowed 'General case' 0 C--O 1.224 -0.273 0 CA-C-O 121.25 0.548 . . . . 0.0 110.632 170.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 97.2 mt -55.73 -39.07 70.61 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 123.929 0.892 . . . . 0.0 112.628 -169.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -45.1 -34.55 2.65 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 123.85 0.86 . . . . 0.0 111.844 174.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 26.5 ptt-85 -41.94 -40.03 2.04 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.79 1.236 . . . . 0.0 114.297 -175.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -43.75 24.08 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.812 1 C-N-CA 133.414 4.686 . . . . 0.0 120.787 -168.358 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -88.31 -8.09 55.7 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 120.54 -1.35 . . . . 0.0 112.505 -169.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -105.72 -63.52 1.24 Allowed 'General case' 0 C--N 1.342 0.275 0 CA-C-N 119.498 1.045 . . . . 0.0 109.089 173.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -154.08 -61.53 0.13 Allowed 'General case' 0 CA--C 1.522 -0.096 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -169.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -164.27 -59.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -168.21 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.4 p -160.49 83.89 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 124.472 1.109 . . . . 0.0 110.13 168.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -97.34 174.89 6.47 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.818 2.047 . . . . 0.0 108.985 168.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -53.47 -53.58 49.29 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 120.289 1.404 . . . . 0.0 111.235 -176.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -47.41 -37.75 12.02 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 124.171 0.988 . . . . 0.0 111.294 175.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -77.2 -65.72 0.92 Allowed 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 -176.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -36.52 -56.26 0.81 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.991 2.117 . . . . 0.0 112.658 173.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 10.1 tp -60.53 -25.48 34.7 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 C-N-CA 123.56 0.744 . . . . 0.0 112.301 -175.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 94.8 m -49.17 -64.8 0.7 Allowed 'General case' 0 C--N 1.342 0.282 0 C-N-CA 124.063 0.945 . . . . 0.0 111.439 -170.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -73.15 -40.31 64.97 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.074 -176.335 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -37.62 -48.52 1.04 Allowed 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.853 0.861 . . . . 0.0 111.025 169.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -51.6 -62.45 5.52 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 123.616 0.627 . . . . 0.0 112.608 173.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.24 -48.44 81.44 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.817 0.818 . . . . 0.0 110.822 -175.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -54.93 -49.56 71.02 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 124.089 0.956 . . . . 0.0 109.613 177.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.9 -54.22 49.08 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 119.224 0.92 . . . . 0.0 110.707 174.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 11.6 tmm? -44.76 -50.6 10.02 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.587 1.555 . . . . 0.0 110.3 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 84.1 mt -80.91 -54.75 9.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 123.887 0.875 . . . . 0.0 111.261 -173.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . 0.351 0.1 OUTLIER -73.13 -27.11 61.49 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -168.653 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -70.29 -45.35 66.49 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 118.795 -1.162 . . . . 0.0 111.666 -169.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 . . . . . 0 C--N 1.332 -0.195 0 C-N-CA 129.931 3.292 . . . . 0.0 104.622 -175.595 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.204 0 CA-C-O 120.621 0.248 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 96.4 mt -54.46 -45.22 69.95 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 175.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.68 -44.33 23.17 Favored Glycine 0 CA--C 1.522 0.499 0 C-N-CA 126.619 2.056 . . . . 0.0 112.186 175.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -62.65 -49.59 74.55 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 118.939 1.37 . . . . 0.0 110.124 176.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 64.1 mt -57.59 -42.6 83.47 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 120.69 0.281 . . . . 0.0 110.32 179.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 82.2 mt -63.76 -42.57 96.38 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 C-N-CA 123.403 0.681 . . . . 0.0 109.648 174.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -41.15 -66.67 0.88 Allowed Glycine 0 C--N 1.334 0.442 0 C-N-CA 126.242 1.877 . . . . 0.0 109.58 169.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 29.5 mm -60.48 -33.86 55.92 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 123.976 0.91 . . . . 0.0 110.999 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -51.7 -48.12 63.66 Favored 'General case' 0 C--O 1.225 -0.216 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 178.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . 0.31 0.1 OUTLIER -93.52 21.79 5.94 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 115.919 1.822 . . . . 0.0 115.919 169.669 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -61.78 -33.62 74.42 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 104.728 -2.323 . . . . 0.0 104.728 163.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . 0.527 ' CE1' ' CB ' ' B' ' 37' ' ' LEU . 81.2 m-85 -65.53 108.82 2.14 Favored 'General case' 0 N--CA 1.439 -0.984 0 N-CA-C 105.604 -1.999 . . . . 0.0 105.604 164.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 19.1 m 89.48 12.99 0.06 Allowed 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 127.685 2.394 . . . . 0.0 112.577 -168.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 C-N-CA 125.236 1.398 . . . . 0.0 114.981 169.626 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? . . . . . 0 N--CA 1.45 -0.47 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 21.5 m170 -75.3 64.49 1.5 Allowed 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 171.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 159.61 115.52 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 131.565 3.946 . . . . 0.0 105.025 -176.455 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -94.61 129.24 41.54 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 -168.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 70.7 m -89.17 163.48 15.42 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 123.281 0.632 . . . . 0.0 109.426 175.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -45.25 -43.26 10.27 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -53.75 53.71 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 122.632 0.373 . . . . 0.0 110.965 -174.393 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -53.84 -49.1 69.19 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 170.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.24 -43.45 64.33 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 111.949 0.352 . . . . 0.0 111.949 -175.192 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.18 -23.37 3.26 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.19 0.996 . . . . 0.0 112.634 179.068 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -55.1 15.06 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 119.538 1.063 . . . . 0.0 111.28 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.527 ' CB ' ' CE1' ' B' ' 19' ' ' TYR 0.287 0.4 OUTLIER -90.93 -39.82 12.06 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -169.209 . . . . . . . . 4 4 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 13.9 pt -53.62 -35.36 25.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -167.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -54.23 -27.87 37.51 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 178.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 44.1 tttm -81.27 -58.81 2.88 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 122.795 0.438 . . . . 0.0 110.08 170.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -68.28 -25.94 65.4 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 114.85 1.426 . . . . 0.0 114.85 -166.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 96.7 mt -69.34 26.78 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.361 1.464 . . . . 0.0 113.3 175.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -54.56 9.09 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 128.745 2.818 . . . . 0.0 118.265 -167.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 5.4 mt 74.52 -51.19 0.22 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.177 0 C-N-CA 128.912 2.885 . . . . 0.0 113.802 167.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.59 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -169.561 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 t70 . . . . . 0 CA--C 1.533 0.323 0 CA-C-O 121.338 0.59 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.97 -15.34 60.18 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -172.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 23.4 tp -66.84 -61.21 2.07 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 124.401 1.081 . . . . 0.0 109.835 -175.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -52.26 -43.26 64.27 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 122.579 0.352 . . . . 0.0 110.906 -171.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 5.5 ptt-85 -78.03 -99.6 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.0 -0.545 . . . . 0.0 112.061 -174.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -86.55 0.55 54.12 Favored 'General case' 0 C--O 1.224 -0.246 0 O-C-N 121.057 -1.027 . . . . 0.0 113.242 -167.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 14.8 mmtm 65.77 51.13 1.46 Allowed 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 -169.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . 0.33 6.4 t0 60.48 97.84 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 128.575 2.75 . . . . 0.0 114.6 -169.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -178.15 -164.63 0.08 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.165 1.386 . . . . 0.0 108.942 174.427 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -74.28 176.14 6.95 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.642 0.777 . . . . 0.0 109.522 -178.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 5.2 t -128.88 125.81 63.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -167.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -94.04 171.2 9.0 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.033 0.933 . . . . 0.0 110.735 169.213 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -57.08 -48.77 77.79 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-O 119.229 -0.415 . . . . 0.0 110.43 -177.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 7.9 tm0? -52.57 -51.21 60.85 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -54.93 -62.96 1.32 Allowed 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 118.205 0.457 . . . . 0.0 110.218 176.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -43.64 -58.33 2.72 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.961 0.904 . . . . 0.0 110.639 -179.122 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 11.3 tp -69.96 -41.33 79.39 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 O-C-N 122.119 -0.363 . . . . 0.0 110.346 -170.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 87.3 m -63.73 -47.48 80.89 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 -178.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -58.18 -60.33 3.91 Favored 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 125.577 1.551 . . . . 0.0 110.883 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 22.7 mt -59.02 -36.73 75.47 Favored 'General case' 0 C--O 1.225 -0.196 0 O-C-N 122.096 -0.378 . . . . 0.0 110.366 177.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.85 -48.69 76.45 Favored Glycine 0 CA--C 1.526 0.72 0 C-N-CA 124.048 0.833 . . . . 0.0 111.203 174.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.12 -49.6 73.76 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 117.811 0.806 . . . . 0.0 109.856 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 46.1 mt -57.52 -47.28 82.39 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 178.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.9 -49.68 76.72 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.198 0.999 . . . . 0.0 110.705 178.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 30.1 ttp -50.78 -55.4 16.96 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.892 0.877 . . . . 0.0 109.879 175.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 89.0 mt -58.27 -54.24 35.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 123.086 0.555 . . . . 0.0 110.064 -178.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . 0.351 2.0 p90 -81.61 -6.37 58.94 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 -173.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -85.34 -108.21 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 105.791 -1.929 . . . . 0.0 105.791 166.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 . . . . . 0 C--O 1.236 0.361 0 C-N-CA 127.552 2.341 . . . . 0.0 108.711 168.334 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 93.1 mt . . . . . 0 CA--C 1.533 0.325 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.6 -51.26 12.8 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 124.459 1.028 . . . . 0.0 111.924 176.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.1 tt -57.52 -52.61 64.69 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.686 0.794 . . . . 0.0 110.244 178.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.2 mt -60.21 -48.09 83.22 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 122.72 0.408 . . . . 0.0 111.329 -176.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.3 mp -66.17 -39.4 84.24 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 177.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.07 -56.7 17.66 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.005 -1.238 . . . . 0.0 110.005 175.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.5 mt -59.38 -47.46 90.52 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 123.014 0.525 . . . . 0.0 110.277 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -45.61 -61.93 1.5 Allowed 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 119.001 0.819 . . . . 0.0 111.461 170.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . 0.284 0.1 OUTLIER -80.94 -36.87 30.4 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 -167.437 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -33.77 67.01 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 120.463 1.483 . . . . 0.0 112.201 -170.389 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -66.14 -4.19 7.03 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 112.856 0.688 . . . . 0.0 112.856 178.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.8 m . . . . . 0 CA--C 1.538 0.481 0 O-C-N 121.624 -0.672 . . . . 0.0 110.939 167.787 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? . . . . . 0 CA--C 1.534 0.356 0 CA-C-O 121.714 0.769 . . . . 0.0 110.183 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 52.5 m170 -80.1 -39.19 30.12 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 124.36 1.064 . . . . 0.0 109.419 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.54 -178.04 5.63 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 128.034 2.534 . . . . 0.0 108.008 167.487 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.6 mp -138.09 132.21 31.7 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 119.423 1.01 . . . . 0.0 108.601 169.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.0 p -81.92 58.66 3.98 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 121.71 -0.619 . . . . 0.0 112.521 -169.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.4 ' NZ ' ' OE2' ' A' ' 67' ' ' GLU . 14.3 mtmm 61.86 -70.78 0.05 OUTLIER 'General case' 0 C--O 1.225 -0.188 0 C-N-CA 127.121 2.168 . . . . 0.0 113.361 176.499 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -40.22 -52.16 2.64 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 126.218 1.807 . . . . 0.0 110.24 -174.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.7 mp0 -56.16 -43.73 78.62 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 125.364 1.465 . . . . 0.0 110.288 -177.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.7 mt -81.96 -29.01 32.41 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-O 117.53 -1.224 . . . . 0.0 111.549 176.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 45.5 tptt -57.78 -47.53 82.27 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 121.431 1.923 . . . . 0.0 109.713 177.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -44.16 -55.23 4.95 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.925 1.29 . . . . 0.0 110.83 170.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 tt -65.57 -74.24 0.11 Allowed 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 125.269 1.427 . . . . 0.0 111.806 -178.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.4 pp -42.95 -56.76 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 C-N-CA 126.991 2.116 . . . . 0.0 111.902 -167.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -61.32 -49.39 77.18 Favored 'General case' 0 N--CA 1.443 -0.821 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 -170.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.6 mtmm -77.01 -59.58 2.72 Favored 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 119.779 -0.768 . . . . 0.0 110.251 -173.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -84.03 -28.69 27.48 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -167.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 31.8 mt -92.32 -63.0 1.29 Allowed 'General case' 0 C--N 1.339 0.133 0 CA-C-N 119.343 0.974 . . . . 0.0 112.049 178.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.8 p -59.89 156.33 14.63 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -167.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.26 10.0 tt . . . . . 0 C--N 1.34 0.184 0 C-N-CA 126.865 2.066 . . . . 0.0 111.346 177.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 69.0 mt . . . . . 0 CA--C 1.532 0.275 0 N-CA-C 110.629 -0.137 . . . . 0.0 110.629 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 21.2 mmt -73.82 -45.92 48.39 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-O 119.471 -0.3 . . . . 0.0 111.733 -172.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 53.4 p-10 -29.24 -61.24 0.14 Allowed 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 126.074 1.75 . . . . 0.0 114.36 -173.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -61.85 -8.91 5.55 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -171.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 pp -51.06 -39.42 55.97 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 120.578 1.535 . . . . 0.0 113.203 -172.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -64.96 -39.2 93.12 Favored 'General case' 0 CA--C 1.529 0.14 0 O-C-N 121.631 -0.668 . . . . 0.0 110.379 177.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.7 mtp85 -73.84 25.57 0.07 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.597 1.959 . . . . 0.0 113.73 -169.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -89.04 -15.96 32.76 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.681 1.592 . . . . 0.0 113.613 -173.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.8 mttp -78.42 -44.51 24.6 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 123.959 0.903 . . . . 0.0 110.609 -167.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -115.58 96.27 5.55 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 172.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -40.85 -35.1 0.46 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 113.559 -1.655 . . . . 0.0 114.369 169.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.4 ' OE2' ' NZ ' ' A' ' 31' ' ' LYS . 26.8 mm-40 -100.39 46.68 0.95 Allowed 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 120.035 1.289 . . . . 0.0 110.39 178.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 8.3 m -16.09 83.77 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 C-N-CA 130.957 3.703 . . . . 0.0 115.7 -169.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -68.52 -178.89 1.21 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.149 1.38 . . . . 0.0 111.98 169.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -54.42 -43.71 71.78 Favored 'General case' 0 C--O 1.225 -0.227 0 C-N-CA 123.82 0.848 . . . . 0.0 111.692 -176.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.8 tm0? -49.79 -54.58 18.27 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-O 118.835 -0.602 . . . . 0.0 110.371 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -61.22 -57.86 10.69 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 118.756 0.707 . . . . 0.0 110.442 -178.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -41.55 -52.59 3.68 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.684 1.194 . . . . 0.0 111.475 177.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.1 tp -79.1 -41.79 23.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-O 118.629 -0.7 . . . . 0.0 111.419 -173.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 49.9 m -48.7 -54.77 13.54 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 119.342 0.974 . . . . 0.0 108.862 173.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -52.05 -55.67 19.2 Favored 'General case' 0 N--CA 1.442 -0.857 0 C-N-CA 125.513 1.525 . . . . 0.0 110.728 175.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.98 -44.92 51.19 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.671 0.669 . . . . 0.0 112.262 174.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.94 -51.98 53.9 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 123.987 0.803 . . . . 0.0 111.105 177.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.75 -54.36 47.17 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 122.489 -0.418 . . . . 0.0 110.115 176.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 74.8 mt -53.35 -46.06 69.37 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.201 1.0 . . . . 0.0 112.126 -178.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.62 -45.3 81.58 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 121.743 -0.598 . . . . 0.0 110.51 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 67.8 mtm -67.69 -8.12 32.56 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 175.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 85.8 mt -92.69 -69.9 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 168.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.5 p90 -80.8 -40.45 24.99 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -169.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -92.97 23.17 4.39 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 124.539 1.136 . . . . 0.0 111.549 -170.344 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 . . . . . 0 CA--C 1.539 0.549 0 N-CA-C 117.724 2.49 . . . . 0.0 117.724 -165.072 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.268 0 CA-C-O 120.838 0.351 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 62.3 mt -55.32 -43.71 72.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 172.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -40.73 -46.22 3.76 Favored Glycine 0 CA--C 1.525 0.703 0 C-N-CA 127.296 2.379 . . . . 0.0 113.162 173.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.9 mp -59.82 -48.37 81.97 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.988 1.394 . . . . 0.0 110.223 176.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.4 mp -62.81 -35.25 79.27 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.844 -0.535 . . . . 0.0 110.641 179.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 97.9 mt -61.19 -48.31 89.53 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 C-N-CA 123.935 0.894 . . . . 0.0 109.267 172.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.54 -40.44 69.86 Favored Glycine 0 CA--C 1.526 0.768 0 C-N-CA 124.639 1.114 . . . . 0.0 111.391 177.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 30.0 mm -70.15 -55.02 16.1 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 CA-C-N 117.437 0.618 . . . . 0.0 110.674 174.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . 0.508 ' CZ ' ' CE1' ' B' ' 17' ' ' HIS . 5.3 t80 -39.61 -61.33 0.83 Allowed 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.006 1.322 . . . . 0.0 111.228 173.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . 0.508 ' CE1' ' CZ ' ' B' ' 16' ' ' PHE . 3.7 m-70 -90.2 21.3 3.84 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -178.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.63 -54.85 33.3 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 121.419 -0.8 . . . . 0.0 109.375 169.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -67.85 -33.63 75.13 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.077 -178.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 2.3 m -58.94 -27.05 64.95 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 120.804 0.335 . . . . 0.0 111.799 169.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.74 0 C-N-CA 123.711 0.672 . . . . 0.0 113.096 -168.545 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? . . . . . 0 CA--C 1.541 0.596 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 26.6 p80 -160.02 142.42 13.31 Favored 'General case' 0 CA--C 1.517 -0.324 0 O-C-N 121.246 -0.909 . . . . 0.0 113.07 165.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 3.4 p -38.98 145.56 0.09 Allowed 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 127.623 2.369 . . . . 0.0 111.527 171.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 35.8 mt -70.65 124.98 25.55 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 107.694 -1.225 . . . . 0.0 107.694 171.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -82.83 50.35 1.68 Allowed 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.894 0.878 . . . . 0.0 110.896 -169.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 34.1 mtmm 60.26 -68.93 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 126.898 2.079 . . . . 0.0 113.119 -175.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 45.1 tttm -55.32 -41.09 71.96 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.012 -1.055 . . . . 0.0 110.134 -178.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -53.54 -48.14 69.34 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 122.865 0.466 . . . . 0.0 110.524 174.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 37.0 tp -60.31 -43.03 96.7 Favored 'General case' 0 C--N 1.341 0.196 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 175.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 45.3 tptt -56.36 -52.33 64.99 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.2 0.455 . . . . 0.0 110.914 178.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -57.43 -43.93 84.25 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.469 -0.769 . . . . 0.0 111.568 175.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 tt -51.63 -51.5 55.26 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.916 0.886 . . . . 0.0 111.033 176.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.12 -45.09 91.29 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.101 0 O-C-N 121.083 -1.011 . . . . 0.0 111.282 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -53.54 -52.01 61.03 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.409 0.549 . . . . 0.0 110.56 177.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 18.6 ttpp -92.73 -95.01 0.14 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.6 0.76 . . . . 0.0 111.626 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 23.5 mp0 -38.13 -53.09 1.44 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.431 1.892 . . . . 0.0 115.199 -168.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 20.0 mt -65.02 -26.8 68.43 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 119.555 1.07 . . . . 0.0 112.757 -174.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 8.4 p 80.89 144.42 0.08 Allowed 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 127.807 2.443 . . . . 0.0 109.222 -167.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 16.6 tt -146.95 -38.35 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 123.378 0.671 . . . . 0.0 111.782 -169.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.872 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 178.473 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 . . . . . 0 N--CA 1.466 0.369 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -35.82 -48.41 0.56 Allowed 'General case' 0 C--O 1.223 -0.301 0 C-N-CA 125.91 1.684 . . . . 0.0 112.051 -178.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 33.9 mt -61.97 -11.96 16.05 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 127.162 2.185 . . . . 0.0 114.041 -167.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.41 -38.6 43.78 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 165.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.77 20.4 4.77 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 177.044 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -24.67 -81.21 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 128.215 2.606 . . . . 0.0 114.057 -168.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.66 -74.27 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.787 1.635 . . . . 0.0 112.139 176.097 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 174.16 142.08 0.04 OUTLIER 'General case' 0 N--CA 1.436 -1.131 0 C-N-CA 131.089 3.756 . . . . 0.0 103.146 -177.058 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 32.96 -112.7 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 127.307 2.243 . . . . 0.0 113.175 166.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -91.08 165.17 13.66 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.843 0.857 . . . . 0.0 113.071 -168.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 46.8 t -98.21 114.25 35.13 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 C-N-CA 125.67 1.588 . . . . 0.0 112.458 -165.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -82.91 173.7 11.58 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 125.165 1.386 . . . . 0.0 109.774 168.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -56.84 -45.12 82.57 Favored 'General case' 0 C--O 1.221 -0.413 0 O-C-N 122.157 -0.339 . . . . 0.0 110.383 -177.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.1 tm0? -50.65 -50.28 54.92 Favored 'General case' 0 C--O 1.222 -0.363 0 C-N-CA 122.719 0.408 . . . . 0.0 110.598 176.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -63.67 -54.42 36.01 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 124.251 1.02 . . . . 0.0 109.797 -173.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -49.19 -46.8 46.12 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.799 0.839 . . . . 0.0 110.153 172.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 6.9 mm -64.36 -57.81 9.89 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 CA-C-O 118.375 -0.821 . . . . 0.0 111.101 -177.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 99.1 m -43.76 -51.57 7.17 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 124.468 1.107 . . . . 0.0 109.216 -178.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -58.54 -57.14 14.25 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 113.499 -1.682 . . . . 0.0 111.793 178.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.97 -39.24 77.68 Favored 'General case' 0 C--O 1.222 -0.347 0 O-C-N 121.851 -0.53 . . . . 0.0 110.769 -178.59 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.33 -52.33 53.88 Favored Glycine 0 CA--C 1.527 0.788 0 C-N-CA 124.297 0.951 . . . . 0.0 112.204 173.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.77 -49.38 68.36 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-O 121.161 0.505 . . . . 0.0 109.897 179.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 34.9 mt -65.35 -44.44 87.7 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.032 0.533 . . . . 0.0 111.066 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.75 -44.03 90.45 Favored 'General case' 0 CA--C 1.522 -0.103 0 C-N-CA 124.332 1.053 . . . . 0.0 110.746 -177.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 66.7 mtm -52.96 -22.9 6.19 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 118.225 -0.893 . . . . 0.0 112.359 173.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 52.2 mt -90.66 -71.47 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-N 119.674 1.125 . . . . 0.0 109.423 171.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 39.8 p90 -65.0 -36.9 85.89 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.081 -1.012 . . . . 0.0 112.495 -168.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -92.87 22.21 5.05 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.622 1.169 . . . . 0.0 112.183 174.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 . . . . . 0 C--N 1.346 0.429 0 CA-C-O 123.093 1.425 . . . . 0.0 112.394 -175.834 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 24.4 mm . . . . . 0 CA--C 1.533 0.291 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -42.99 -52.71 5.67 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 125.162 1.363 . . . . 0.0 111.416 169.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.1 tp -61.86 -47.3 85.64 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.705 -0.88 . . . . 0.0 111.317 177.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -55.23 -33.5 63.16 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.361 0.982 . . . . 0.0 112.068 174.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 52.4 mt -70.03 -44.55 78.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 123.497 0.719 . . . . 0.0 109.519 174.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.19 -31.88 62.69 Favored Glycine 0 CA--C 1.531 1.051 0 C-N-CA 125.241 1.401 . . . . 0.0 111.931 172.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.2 mm -67.58 -66.1 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 168.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -43.06 -82.79 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 127.398 2.279 . . . . 0.0 112.191 -178.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . 0.526 1.5 m-70 -70.36 22.27 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 120.923 3.675 . . . . 0.0 120.923 -167.033 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.1 mtmm -77.44 -50.59 12.37 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 103.116 -2.92 . . . . 0.0 103.116 159.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -68.94 129.54 40.22 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 126.688 1.995 . . . . 0.0 107.547 174.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 93.4 p . . . . . 0 CA--C 1.535 0.385 0 CA-C-O 121.763 0.792 . . . . 0.0 109.47 -167.877 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.243 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -85.82 55.51 3.55 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 122.021 0.915 . . . . 0.0 110.901 -171.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 66.5 p -138.8 152.06 47.57 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 130.104 3.362 . . . . 0.0 102.895 168.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.4 mp -78.73 143.19 36.43 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 106.709 -1.589 . . . . 0.0 106.709 175.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.8 p -95.28 -85.79 0.31 Allowed 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 106.261 -1.755 . . . . 0.0 106.261 172.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.42 -51.21 0.69 Allowed 'General case' 0 N--CA 1.448 -0.525 0 C-N-CA 126.933 2.093 . . . . 0.0 107.779 168.329 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -44.28 -48.94 9.55 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 119.145 0.884 . . . . 0.0 112.192 -173.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.0 mp0 -62.38 -40.24 95.83 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 124.878 1.271 . . . . 0.0 109.837 -177.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.09 -46.46 74.19 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 178.062 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 46.1 mmtt -65.86 -19.09 65.76 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 121.538 -0.726 . . . . 0.0 111.675 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -73.32 -59.73 2.57 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 121.845 0.831 . . . . 0.0 109.254 168.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.3 tt -49.36 -58.12 5.67 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 128.159 2.583 . . . . 0.0 113.757 -178.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -31.18 -59.7 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.23 0.057 0 C-N-CA 128.011 2.524 . . . . 0.0 113.931 -168.565 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -57.57 -49.55 76.02 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.696 0.798 . . . . 0.0 111.863 -168.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.14 -35.95 11.68 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 -172.375 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -91.51 -29.08 17.19 Favored 'General case' 0 CA--C 1.528 0.111 0 N-CA-C 118.248 2.684 . . . . 0.0 118.248 -163.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.8 mt -69.59 22.32 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 116.097 1.888 . . . . 0.0 116.097 -168.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.1 m 50.53 58.88 5.02 Favored 'General case' 0 C--O 1.224 -0.25 0 C-N-CA 125.941 1.697 . . . . 0.0 110.932 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.2 mp . . . . . 0 N--CA 1.451 -0.424 0 CA-C-O 123.164 1.459 . . . . 0.0 108.2 -177.223 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.5 tp . . . . . 0 CA--C 1.537 0.454 0 N-CA-C 111.37 0.137 . . . . 0.0 111.37 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.7 mmt -86.46 -40.59 15.17 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.093 0.957 . . . . 0.0 110.53 -176.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -48.91 -33.41 10.74 Favored 'General case' 0 CA--C 1.517 -0.293 0 C-N-CA 124.376 1.071 . . . . 0.0 112.333 -174.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.78 -4.74 1.61 Allowed 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 -173.429 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.0 mp -54.76 -19.72 6.93 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.08 -1.012 . . . . 0.0 111.002 165.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.83 -18.61 3.43 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.038 1.335 . . . . 0.0 112.896 168.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 55.4 ttm-85 -65.59 -6.69 11.75 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.269 1.427 . . . . 0.0 113.185 169.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -29.22 -73.54 0.03 OUTLIER 'General case' 0 C--N 1.339 0.152 0 C-N-CA 128.368 2.667 . . . . 0.0 116.987 -171.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -130.0 131.05 45.74 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -169.431 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.264 0.4 OUTLIER 66.28 -48.76 0.43 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 129.577 3.151 . . . . 0.0 113.542 -179.108 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? 146.41 -54.59 0.01 OUTLIER 'General case' 0 C--O 1.231 0.112 0 C-N-CA 128.9 2.88 . . . . 0.0 109.064 -169.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -77.79 167.08 22.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.979 0.895 . . . . 0.0 112.593 -170.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 58.7 t -140.03 94.43 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 C-N-CA 126.66 1.984 . . . . 0.0 107.954 -172.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -78.68 -176.21 4.77 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 124.773 1.229 . . . . 0.0 108.575 168.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -58.64 -42.38 88.19 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-O 119.123 -0.465 . . . . 0.0 110.738 -178.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -53.63 -57.13 11.88 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-N 118.197 0.453 . . . . 0.0 110.014 177.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -56.92 -56.11 25.85 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.114 0.966 . . . . 0.0 110.446 -178.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -48.76 -51.68 27.75 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 123.64 0.776 . . . . 0.0 110.052 178.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.7 mm -62.61 -53.23 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -178.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 60.7 m -50.98 -48.86 61.13 Favored 'General case' 0 CA--C 1.52 -0.18 0 C-N-CA 124.529 1.132 . . . . 0.0 108.792 -175.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -58.23 -60.29 3.98 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 114.284 -1.325 . . . . 0.0 111.691 176.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.13 -42.08 76.36 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 120.99 0.424 . . . . 0.0 109.948 -176.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -63.48 -45.0 95.84 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 124.749 1.166 . . . . 0.0 113.404 177.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.27 -47.6 75.24 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 118.099 0.95 . . . . 0.0 109.485 174.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 70.6 mt -61.0 -41.0 95.67 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 116.768 -0.197 . . . . 0.0 110.762 174.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.27 -43.13 87.79 Favored 'General case' 0 N--CA 1.457 -0.102 0 O-C-N 121.423 -0.798 . . . . 0.0 112.688 -179.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 42.1 mtm -57.01 -18.95 15.83 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 118.056 -0.973 . . . . 0.0 112.744 173.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 30.8 mm -90.33 -70.64 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 119.488 1.04 . . . . 0.0 108.863 169.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 25.7 p90 -56.66 -38.44 72.19 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 121.1 -1.0 . . . . 0.0 112.268 -169.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.56 26.08 3.2 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.646 1.578 . . . . 0.0 113.243 179.279 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 . . . . . 0 N--CA 1.478 0.961 0 C-N-CA 129.04 2.936 . . . . 0.0 117.986 -169.891 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.135 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.7 mp -52.93 -50.4 44.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 173.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.99 -56.24 9.11 Favored Glycine 0 CA--C 1.526 0.743 0 C-N-CA 125.515 1.531 . . . . 0.0 111.522 174.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 58.7 tp -57.96 -49.28 77.33 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.032 0.916 . . . . 0.0 110.71 179.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 45.0 mt -56.9 -41.06 77.42 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.008 0.523 . . . . 0.0 111.215 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 58.9 mt -66.64 -46.15 86.69 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.124 0 C-N-CA 123.368 0.667 . . . . 0.0 110.225 174.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.46 -55.68 27.32 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 109.918 -1.273 . . . . 0.0 109.918 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 4.3 tp -64.9 -46.23 92.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-O 118.78 -0.629 . . . . 0.0 109.901 -177.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -42.97 -57.12 2.99 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 119.157 0.889 . . . . 0.0 110.586 169.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -74.52 -32.68 62.56 Favored 'General case' 0 N--CA 1.434 -1.23 0 CA-C-O 118.215 -0.898 . . . . 0.0 112.667 -168.138 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 3.6 tpmp? -69.14 -31.2 69.7 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 119.14 -1.024 . . . . 0.0 113.607 -172.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -77.69 69.11 3.88 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 119.346 0.975 . . . . 0.0 110.749 178.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 9.1 p -133.26 38.29 3.32 Favored 'General case' 0 N--CA 1.442 -0.849 0 C-N-CA 125.947 1.699 . . . . 0.0 110.011 -172.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.728 0 C-N-CA 125.921 1.724 . . . . 0.0 114.867 168.043 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.313 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 35.1 m170 -57.89 -48.43 79.88 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 123.16 0.584 . . . . 0.0 111.693 -172.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 24.4 p -97.65 134.83 40.32 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 105.296 -2.113 . . . . 0.0 105.296 169.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.23 138.36 32.4 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 119.185 0.902 . . . . 0.0 109.686 -172.159 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.7 m -80.66 39.97 0.5 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.762 1.225 . . . . 0.0 111.008 -174.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.49 -67.03 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 127.105 2.162 . . . . 0.0 113.953 -171.019 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 15.1 tptp -53.96 -29.71 43.89 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 119.275 0.943 . . . . 0.0 112.034 -174.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -66.57 -54.45 23.53 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 173.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -61.6 -34.62 75.94 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.772 -0.58 . . . . 0.0 110.95 -178.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -43.12 -41.01 3.46 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.658 1.183 . . . . 0.0 111.102 174.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.91 -26.39 65.08 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -178.111 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 tt -71.43 -64.95 0.82 Allowed 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.747 1.219 . . . . 0.0 107.986 172.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 3.4 tp -56.13 -48.62 78.87 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 C-N-CA 123.245 0.618 . . . . 0.0 112.286 -171.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -55.85 -31.94 63.18 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 118.382 0.537 . . . . 0.0 112.021 -173.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -93.75 -101.07 0.14 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.618 1.167 . . . . 0.0 113.225 -178.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 9.7 pm0 -63.08 -36.1 82.46 Favored 'General case' 0 C--N 1.342 0.266 0 N-CA-C 116.443 2.016 . . . . 0.0 116.443 -165.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 15.4 mt -59.72 -68.41 0.29 Allowed 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 119.924 1.238 . . . . 0.0 111.636 -169.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.78 -7.01 30.02 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 115.202 1.556 . . . . 0.0 115.202 -168.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 pp -89.17 -5.23 10.59 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.15 0 CA-C-N 118.836 0.744 . . . . 0.0 112.976 177.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.187 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 176.988 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 52.9 t0 . . . . . 0 CA--C 1.513 -0.457 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -91.93 16.92 10.03 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 114.755 1.391 . . . . 0.0 114.755 -169.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 85.1 mt -80.36 -7.86 59.26 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.692 -0.63 . . . . 0.0 112.591 171.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 29.0 p-10 -72.89 -32.89 65.68 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 124.08 0.952 . . . . 0.0 109.072 169.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.48 25.17 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 126.494 1.918 . . . . 0.0 114.613 174.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -56.34 -100.9 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 127.131 2.172 . . . . 0.0 116.01 -168.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.87 86.41 3.28 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-N 120.345 1.429 . . . . 0.0 110.562 -168.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 2.3 p30 60.08 -23.59 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 118.725 2.861 . . . . 0.0 118.725 167.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 25.5 pt20 -85.27 51.15 2.1 Favored 'General case' 0 C--N 1.332 -0.187 0 O-C-N 120.748 -1.22 . . . . 0.0 112.485 -166.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 43.48 -96.27 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 126.128 1.771 . . . . 0.0 109.668 -168.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 45.3 t -156.72 135.49 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 C-N-CA 128.101 2.56 . . . . 0.0 104.288 166.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -148.4 179.08 8.06 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 173.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -54.71 -38.37 66.99 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-O 118.446 -0.788 . . . . 0.0 112.118 -170.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -56.44 -57.78 10.85 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 118.946 0.793 . . . . 0.0 109.027 177.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -63.97 -47.47 80.29 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 121.897 -0.502 . . . . 0.0 110.559 -176.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -51.58 -46.43 63.47 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.002 0.921 . . . . 0.0 111.609 176.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 4.0 tp -81.39 -40.63 18.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 O-C-N 121.819 -0.551 . . . . 0.0 110.206 -172.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 56.1 m -49.26 -52.34 27.93 Favored 'General case' 0 C--N 1.341 0.219 0 C-N-CA 124.129 0.972 . . . . 0.0 108.905 169.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -52.36 -61.76 2.07 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.801 1.64 . . . . 0.0 109.901 174.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -45.3 -52.58 9.55 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 118.407 0.549 . . . . 0.0 111.094 178.332 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.97 -54.53 33.14 Favored Glycine 0 CA--C 1.533 1.187 0 C-N-CA 123.315 0.483 . . . . 0.0 112.717 176.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.3 -54.16 47.56 Favored 'General case' 0 N--CA 1.457 -0.094 0 C-N-CA 123.141 0.576 . . . . 0.0 110.24 -175.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 9.2 mp -54.92 -50.65 68.29 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 124.455 1.102 . . . . 0.0 109.303 177.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.85 -46.32 78.23 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 123.35 0.66 . . . . 0.0 111.343 -177.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 53.1 mtm -52.53 -24.62 8.45 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 119.066 0.848 . . . . 0.0 113.163 175.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 38.4 mm -90.83 -70.53 0.56 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-N 119.035 0.834 . . . . 0.0 110.287 171.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -65.75 -36.42 83.51 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 120.966 -1.084 . . . . 0.0 111.796 -169.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -91.12 26.74 2.06 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.861 2.065 . . . . 0.0 110.453 176.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 . . . . . 0 C--O 1.238 0.466 0 C-N-CA 130.746 3.618 . . . . 0.0 114.228 -169.359 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.6 mm . . . . . 0 CA--C 1.527 0.068 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -42.03 -51.87 5.02 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 123.401 0.524 . . . . 0.0 112.435 174.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.1 mt -55.31 -27.17 45.13 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 118.195 -0.907 . . . . 0.0 113.172 -178.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -59.69 -39.83 85.87 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 120.678 1.581 . . . . 0.0 110.312 174.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 mt -82.51 -31.24 9.56 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 CA-C-N 118.129 0.422 . . . . 0.0 110.199 172.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.77 -55.45 28.87 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 121.109 -0.994 . . . . 0.0 111.533 177.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.6 mm -52.2 -65.83 0.26 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.175 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 176.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -28.77 -65.36 0.09 Allowed 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 126.121 1.768 . . . . 0.0 111.404 170.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . 0.358 1.9 m-70 -76.94 -8.19 56.94 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 117.09 2.255 . . . . 0.0 117.09 -175.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -56.76 -42.89 80.14 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 121.223 1.828 . . . . 0.0 108.045 166.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.421 ' CE2' ' HG ' ' A' ' 37' ' ' LEU . 94.4 m-85 -73.34 3.84 5.39 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.896 0.878 . . . . 0.0 112.892 -177.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 38.6 m . . . . . 0 N--CA 1.455 -0.198 0 O-C-N 121.492 -0.755 . . . . 0.0 111.663 168.63 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.541 0.611 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.6 p80 -72.15 -35.29 69.02 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 120.467 1.485 . . . . 0.0 107.95 168.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.44 172.54 6.92 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 127.466 2.306 . . . . 0.0 107.189 167.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.0 pp -112.14 -179.81 3.79 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 120.955 -1.091 . . . . 0.0 109.361 173.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.4 t -109.4 144.59 37.4 Favored 'General case' 0 C--N 1.343 0.325 0 CA-C-N 119.195 0.907 . . . . 0.0 112.994 -177.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.5 pttm -56.55 -37.42 70.5 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.674 1.189 . . . . 0.0 112.613 -175.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -62.5 -54.35 41.28 Favored 'General case' 0 CA--C 1.528 0.125 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 -177.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.2 mp0 -60.57 -41.43 94.59 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 124.507 1.123 . . . . 0.0 109.078 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 26.7 tp -50.73 -38.91 50.16 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 120.805 -1.184 . . . . 0.0 111.987 172.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 35.6 mttm -72.48 -17.29 61.77 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.519 -0.738 . . . . 0.0 111.67 178.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -77.49 -41.16 40.46 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.232 -0.917 . . . . 0.0 108.681 166.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.421 ' HG ' ' CE2' ' A' ' 19' ' ' TYR . 3.6 tt -54.66 -63.92 1.0 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.172 1.389 . . . . 0.0 110.024 179.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.6 tt -44.38 -44.22 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 C-N-CA 124.338 1.055 . . . . 0.0 112.792 -171.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -55.09 -48.97 72.83 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 123.551 0.74 . . . . 0.0 111.922 -174.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.23 -86.66 0.25 Allowed 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 117.932 0.333 . . . . 0.0 111.793 -176.521 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -50.32 -45.01 54.49 Favored 'General case' 0 C--O 1.232 0.132 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 -167.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.9 mt -69.37 -1.54 8.59 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -175.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.5 m 63.64 31.77 14.31 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.48 1.037 . . . . 0.0 111.334 167.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.5 tp . . . . . 0 CA--C 1.534 0.327 0 O-C-N 121.33 -0.856 . . . . 0.0 110.961 -178.579 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 tt . . . . . 0 CA--C 1.536 0.432 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 41.7 tpp -57.87 -40.62 80.61 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.246 -0.909 . . . . 0.0 111.767 176.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.438 ' C ' ' H ' ' A' ' 60' ' ' LEU . 61.2 m-20 -70.13 -0.44 7.76 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 113.93 1.085 . . . . 0.0 113.93 176.017 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.93 27.92 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 119.404 1.002 . . . . 0.0 111.221 168.024 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.438 ' H ' ' C ' ' A' ' 58' ' ' ASP . 84.8 mt -56.3 -23.85 39.46 Favored 'General case' 0 C--N 1.344 0.365 0 C-N-CA 126.561 1.944 . . . . 0.0 111.92 -175.593 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -52.8 -22.92 5.93 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 123.875 0.87 . . . . 0.0 111.579 169.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.1 ptp85 -53.54 -18.36 2.77 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 172.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -28.03 -63.03 0.1 Allowed 'General case' 0 C--N 1.345 0.373 0 C-N-CA 128.121 2.568 . . . . 0.0 114.008 -173.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.77 -53.52 0.14 Allowed 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 169.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -68.53 -43.73 76.08 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 119.312 -0.375 . . . . 0.0 111.312 -169.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 70.08 -63.15 0.41 Allowed 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 126.292 1.837 . . . . 0.0 110.301 -178.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.03 71.2 1.08 Allowed 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 105.182 -2.155 . . . . 0.0 105.182 165.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.0 m -59.96 155.0 3.51 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 -167.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -103.74 176.85 5.02 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 127.785 2.434 . . . . 0.0 106.811 168.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -57.58 -48.64 78.81 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 -175.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . 0.308 0.0 OUTLIER -54.72 -43.14 72.33 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 118.228 -0.892 . . . . 0.0 113.021 179.436 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -70.68 -46.04 63.93 Favored 'General case' 0 C--O 1.227 -0.099 0 CA-C-N 119.957 1.253 . . . . 0.0 111.487 177.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -46.22 -48.04 17.82 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.194 0.598 . . . . 0.0 110.033 172.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 14.2 mm -66.57 -53.6 33.99 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 CA-C-O 118.916 -0.564 . . . . 0.0 111.269 177.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 64.9 m -47.24 -48.46 24.38 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.857 0.837 . . . . 0.0 109.538 -179.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -57.82 -62.39 1.84 Allowed 'General case' 0 N--CA 1.44 -0.95 0 C-N-CA 126.112 1.765 . . . . 0.0 111.211 175.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.75 -42.56 75.6 Favored 'General case' 0 C--N 1.339 0.137 0 CA-C-N 118.769 0.713 . . . . 0.0 110.92 -175.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -62.41 -47.73 87.33 Favored Glycine 0 CA--C 1.529 0.935 0 CA-C-O 119.34 -0.7 . . . . 0.0 112.486 175.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.82 -46.87 78.0 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.873 1.337 . . . . 0.0 110.453 176.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 73.9 mt -61.07 -46.29 91.29 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 122.548 0.339 . . . . 0.0 110.546 176.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.01 -41.02 74.26 Favored 'General case' 0 C--O 1.227 -0.121 0 C-N-CA 123.634 0.774 . . . . 0.0 111.177 177.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -53.13 -26.94 18.43 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 173.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 44.1 mt -89.2 -68.82 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 173.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 19.6 p90 -66.83 -38.07 85.71 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 112.778 0.658 . . . . 0.0 112.778 -168.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -91.56 23.57 3.44 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.893 1.277 . . . . 0.0 111.621 -176.406 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 . . . . . 0 N--CA 1.449 -0.505 0 CA-C-O 122.44 1.114 . . . . 0.0 111.748 -176.353 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.279 0 CA-C-O 121.241 0.543 . . . . 0.0 110.653 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 95.2 mt -56.5 -47.26 82.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 175.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.2 -52.18 18.52 Favored Glycine 0 CA--C 1.53 0.975 0 C-N-CA 124.213 0.911 . . . . 0.0 112.127 173.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 63.3 tp -57.86 -49.82 75.39 Favored 'General case' 0 CA--C 1.529 0.168 0 O-C-N 121.875 -0.779 . . . . 0.0 109.948 178.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 65.8 mt -57.8 -41.9 83.07 Favored 'General case' 0 CA--C 1.535 0.404 0 O-C-N 122.185 -0.322 . . . . 0.0 111.457 178.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 91.2 mt -60.58 -43.35 94.43 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.127 0 C-N-CA 124.271 1.028 . . . . 0.0 109.553 174.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.76 -59.24 11.2 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 176.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 32.9 mm -54.28 -47.07 68.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 122.99 0.516 . . . . 0.0 110.104 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -51.13 -74.89 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.668 1.187 . . . . 0.0 110.982 171.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -84.49 10.39 11.01 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 116.861 2.171 . . . . 0.0 116.861 -168.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -57.94 -46.69 84.67 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 106.18 -1.785 . . . . 0.0 106.18 164.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -61.57 131.36 49.81 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 114.236 -1.347 . . . . 0.0 109.913 169.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 13.7 p -169.95 -13.74 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 114.82 -1.082 . . . . 0.0 113.488 -166.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.75 0 C-N-CA 127.7 2.572 . . . . 0.0 111.694 171.55 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 30.1 mmtm . . . . . 0 CA--C 1.534 0.361 0 CA-C-O 118.954 -0.546 . . . . 0.0 111.83 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 15.4 p-80 -93.01 -33.89 13.94 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 169.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.9 169.87 8.23 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 125.757 1.623 . . . . 0.0 109.77 174.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 40.4 mt -98.26 134.02 41.86 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 168.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 5.7 m -75.81 67.47 2.23 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.521 0.729 . . . . 0.0 111.916 -175.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 49.0 mttm 42.94 -78.01 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 128.925 2.89 . . . . 0.0 115.296 174.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -43.89 -47.42 8.34 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 124.467 1.107 . . . . 0.0 109.405 175.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -43.48 -59.11 2.28 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 125.055 1.342 . . . . 0.0 111.291 173.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -62.78 -44.5 96.01 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 123.443 0.697 . . . . 0.0 110.111 -178.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -61.91 -19.22 62.46 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.736 -0.602 . . . . 0.0 112.001 177.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -82.58 -48.0 11.48 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.451 1.023 . . . . 0.0 110.675 169.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 tt -44.58 -51.29 9.13 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 126.184 1.794 . . . . 0.0 110.269 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 21.2 pt -56.6 -38.03 55.16 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.102 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -71.83 -58.1 3.76 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 -175.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.39 -71.22 0.63 Allowed 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.757 -171.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 43.0 mp0 -59.07 -37.47 77.16 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.256 1.023 . . . . 0.0 113.536 -169.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 17.7 mt -70.35 -0.99 9.22 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 119.849 1.204 . . . . 0.0 113.308 175.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m 92.1 -2.28 0.16 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 126.552 1.941 . . . . 0.0 111.857 169.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 28.7 mt -58.9 -56.28 17.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-N 119.589 1.086 . . . . 0.0 110.292 -172.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.78 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 175.501 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 t70 . . . . . 0 N--CA 1.464 0.257 0 N-CA-C 115.154 1.539 . . . . 0.0 115.154 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -63.73 0.82 0.72 Allowed 'General case' 0 CA--C 1.557 1.223 0 O-C-N 121.437 -0.789 . . . . 0.0 111.341 166.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.7 pp -48.73 -12.59 0.04 OUTLIER 'General case' 0 C--N 1.345 0.384 0 C-N-CA 127.712 2.405 . . . . 0.0 114.541 169.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -47.24 -26.99 1.34 Allowed 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 120.155 1.343 . . . . 0.0 110.157 165.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 7.8 ptp85 -54.89 -12.88 0.9 Allowed 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 114.028 1.121 . . . . 0.0 114.028 175.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 -29.04 -49.55 0.08 Allowed 'General case' 0 C--N 1.342 0.252 0 C-N-CA 128.677 2.791 . . . . 0.0 113.683 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 18.7 pttm -150.32 -52.26 0.14 Allowed 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.422 0.289 . . . . 0.0 111.076 -174.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -114.66 -46.64 2.94 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.418 1.087 . . . . 0.0 112.944 -168.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . 0.313 4.3 pt20 43.68 41.38 3.54 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.963 0.905 . . . . 0.0 112.687 -164.526 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -107.45 69.24 0.74 Allowed 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 101.46 -3.533 . . . . 0.0 101.46 165.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 43.2 t -67.29 100.09 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.697 0 CA-C-O 122.584 1.183 . . . . 0.0 113.023 -166.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -88.34 -162.48 0.84 Allowed 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 104.663 -2.347 . . . . 0.0 104.663 164.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -63.81 -26.49 68.65 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 120.606 -1.308 . . . . 0.0 111.49 -176.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -60.29 -71.47 0.13 Allowed 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 118.703 -0.665 . . . . 0.0 112.266 -172.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -57.29 -41.7 80.29 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 120.186 1.357 . . . . 0.0 111.227 -175.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -44.65 -64.46 0.69 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.852 0.861 . . . . 0.0 110.314 170.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 3.6 tp -67.86 -30.62 48.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 O-C-N 121.494 -0.754 . . . . 0.0 110.798 -173.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 51.8 m -54.17 -53.98 45.98 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 118.774 -0.631 . . . . 0.0 110.522 170.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.74 -46.8 86.39 Favored 'General case' 0 C--N 1.343 0.315 0 C-N-CA 118.659 -1.217 . . . . 0.0 111.606 178.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 4.7 mp -48.12 -52.91 18.46 Favored 'General case' 0 C--N 1.343 0.316 0 CA-C-N 119.002 0.819 . . . . 0.0 109.905 175.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.67 -48.67 60.59 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 123.799 0.714 . . . . 0.0 112.591 176.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.71 -53.8 54.24 Favored 'General case' 0 CA--C 1.527 0.072 0 C-N-CA 123.463 0.705 . . . . 0.0 111.056 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 93.1 mt -60.62 -43.56 97.35 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 178.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -47.51 -53.58 13.93 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.968 1.307 . . . . 0.0 113.612 -169.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 93.5 mtp -49.2 -33.69 13.04 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 118.629 0.65 . . . . 0.0 111.683 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 37.7 mm -90.48 -73.39 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 C-N-CA 123.516 0.727 . . . . 0.0 109.917 177.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . 0.254 0.0 OUTLIER -74.92 -22.14 58.78 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 -168.036 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -93.7 22.78 5.2 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 123.729 0.812 . . . . 0.0 110.173 169.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 . . . . . 0 N--CA 1.445 -0.692 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 171.145 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.0 mm . . . . . 0 CA--C 1.536 0.412 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.43 -45.25 11.45 Favored Glycine 0 CA--C 1.522 0.53 0 C-N-CA 127.076 2.274 . . . . 0.0 112.631 174.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 93.0 mt -54.64 -54.73 37.69 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 118.863 1.331 . . . . 0.0 110.075 175.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.38 -40.34 90.5 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.4 mt -61.32 -38.21 79.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 O-C-N 121.741 -0.6 . . . . 0.0 110.776 173.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.55 -61.48 6.99 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 109.427 -1.469 . . . . 0.0 109.427 174.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.1 mp -53.9 -42.19 52.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 178.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -44.4 -75.56 0.03 OUTLIER 'General case' 0 C--N 1.342 0.262 0 C-N-CA 124.147 0.979 . . . . 0.0 112.213 -170.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.22 -17.58 60.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 118.196 -0.907 . . . . 0.0 111.889 -178.326 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -54.05 -37.3 64.0 Favored 'General case' 0 C--N 1.346 0.427 0 CA-C-N 120.006 1.275 . . . . 0.0 109.187 169.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -74.69 52.85 0.53 Allowed 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 121.961 0.886 . . . . 0.0 110.92 172.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.1 m . . . . . 0 CA--C 1.532 0.251 0 C-N-CA 127.244 2.217 . . . . 0.0 109.905 167.053 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 45.1 tttp . . . . . 0 CA--C 1.538 0.501 0 CA-C-O 117.893 -1.051 . . . . 0.0 113.183 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.2 p80 -88.48 -147.75 0.16 Allowed 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 120.502 1.501 . . . . 0.0 110.966 -172.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.2 p -58.41 165.86 1.94 Allowed 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 126.195 1.798 . . . . 0.0 111.057 169.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.6 tt -84.74 148.85 26.14 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 104.468 -2.419 . . . . 0.0 104.468 166.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.4 t -102.19 136.25 42.34 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.872 0.844 . . . . 0.0 111.107 -174.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.6 ptpp? -49.9 -23.65 2.07 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.28 -66.07 0.59 Allowed 'General case' 0 C--N 1.341 0.215 0 CA-C-N 119.597 1.09 . . . . 0.0 109.825 175.047 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.7 mp0 -62.3 -29.59 70.54 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -175.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 26.6 tp -46.91 -40.27 13.83 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 118.071 -0.966 . . . . 0.0 111.238 169.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.29 -40.21 47.8 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-N 119.526 1.057 . . . . 0.0 111.763 178.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -71.38 -51.07 26.07 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 -178.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 tt -52.62 -53.37 47.75 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.261 -1.336 . . . . 0.0 109.463 -173.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.4 pt -65.61 -14.39 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.125 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -173.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -94.42 -73.82 0.56 Allowed 'General case' 0 N--CA 1.449 -0.504 0 O-C-N 121.556 -0.715 . . . . 0.0 109.795 169.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -69.79 -67.23 0.5 Allowed 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.956 -167.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -64.14 -38.48 91.21 Favored 'General case' 0 CA--C 1.526 0.057 0 C-N-CA 122.16 0.184 . . . . 0.0 110.77 -170.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.4 mt -65.62 -54.7 24.12 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.38 173.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.4 m 72.51 148.07 0.09 Allowed 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.252 0.933 . . . . 0.0 111.85 -178.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 17.8 pt . . . . . 0 CA--C 1.539 0.557 0 O-C-N 120.658 -1.276 . . . . 0.0 109.974 168.972 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.7 tt . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 73.7 mtm -61.1 -52.23 65.78 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 120.905 0.384 . . . . 0.0 110.249 179.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -49.16 -44.59 42.89 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.859 1.263 . . . . 0.0 111.577 174.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -50.48 -33.99 23.36 Favored 'General case' 0 C--O 1.224 -0.255 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -173.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 67.9 mt -56.35 -29.33 61.24 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.305 1.042 . . . . 0.0 112.606 -173.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -60.29 -16.28 32.93 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.733 -0.604 . . . . 0.0 112.108 177.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -55.5 -22.54 21.58 Favored 'General case' 0 C--N 1.34 0.181 0 C-N-CA 124.394 1.077 . . . . 0.0 113.558 172.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -40.78 -50.72 3.15 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 114.336 1.236 . . . . 0.0 114.336 -176.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.1 pttm -79.78 18.75 0.74 Allowed 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 118.175 -0.917 . . . . 0.0 111.331 -174.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -28.5 -66.87 0.08 Allowed 'General case' 0 CA--C 1.509 -0.616 0 C-N-CA 127.425 2.29 . . . . 0.0 110.714 -178.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 50.7 -80.5 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.685 0 O-C-N 125.666 1.854 . . . . 0.0 108.952 -167.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -144.56 131.32 20.15 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 103.963 -2.606 . . . . 0.0 103.963 161.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.5 t -46.2 120.98 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 -163.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -102.15 147.72 26.28 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.559 1.544 . . . . 0.0 109.346 -170.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -63.1 -44.9 94.37 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-O 119.098 -0.477 . . . . 0.0 110.507 -170.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -46.98 -56.49 6.32 Favored 'General case' 0 C--O 1.223 -0.31 0 O-C-N 123.672 0.608 . . . . 0.0 109.564 175.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -55.71 -65.77 0.54 Allowed 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -40.3 -51.65 2.74 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.609 1.164 . . . . 0.0 112.103 -178.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 5.8 tp -81.42 -34.91 13.54 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 123.122 0.569 . . . . 0.0 112.175 -174.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 45.9 m -56.42 -47.43 79.07 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 172.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -64.7 -59.59 4.08 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 128.211 2.604 . . . . 0.0 109.424 -174.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 19.7 mt -46.99 -45.6 21.11 Favored 'General case' 0 C--N 1.343 0.319 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 169.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.54 -53.81 40.79 Favored Glycine 0 CA--C 1.527 0.826 0 C-N-CA 125.51 1.529 . . . . 0.0 113.096 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.02 -47.97 81.46 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.063 0.945 . . . . 0.0 109.461 -177.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 70.8 mt -61.16 -52.92 62.82 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 176.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -48.53 -60.2 2.89 Favored 'General case' 0 CA--C 1.516 -0.337 0 C-N-CA 126.041 1.736 . . . . 0.0 110.367 -176.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -34.23 -57.65 0.48 Allowed 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 126.077 1.751 . . . . 0.0 110.055 178.018 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 31.4 mm -75.52 -71.27 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 C-N-CA 123.715 0.806 . . . . 0.0 110.995 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . 0.284 0.0 OUTLIER -69.69 -9.82 55.84 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 116.336 1.976 . . . . 0.0 116.336 -165.209 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.25 -70.36 0.27 Allowed 'General case' 0 C--N 1.342 0.266 0 CA-C-N 119.907 1.23 . . . . 0.0 109.005 171.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 . . . . . 0 N--CA 1.455 -0.196 0 C-N-CA 125.814 1.646 . . . . 0.0 110.874 -179.708 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.17 0 CA-C-O 121.002 0.43 . . . . 0.0 110.248 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 19.4 mm -51.61 -44.81 35.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 C-N-CA 123.699 0.799 . . . . 0.0 109.378 171.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -51.07 -45.02 51.57 Favored Glycine 0 CA--C 1.523 0.562 0 C-N-CA 126.7 2.095 . . . . 0.0 111.692 176.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 73.0 mt -56.75 -53.42 58.04 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 118.765 1.283 . . . . 0.0 109.674 174.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 73.1 mt -56.11 -43.28 77.99 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 122.649 0.38 . . . . 0.0 110.938 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.41 -34.78 67.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 123.722 0.809 . . . . 0.0 111.109 177.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.02 -47.66 64.12 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.088 -1.205 . . . . 0.0 110.088 178.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 78.4 mt -61.36 -48.9 86.75 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 C-N-CA 125.928 1.691 . . . . 0.0 109.765 177.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -29.93 -71.13 0.05 OUTLIER 'General case' 0 C--O 1.225 -0.185 0 C-N-CA 127.236 2.215 . . . . 0.0 113.683 -170.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -92.05 3.02 56.18 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -175.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . 0.427 ' HZ3' ' CA ' ' B' ' 18' ' ' LYS . 0.0 OUTLIER -55.12 -34.8 64.02 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 119.159 0.89 . . . . 0.0 111.013 176.619 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -55.34 -38.82 69.26 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 124.178 0.991 . . . . 0.0 111.294 176.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 67.3 m -73.21 5.53 3.46 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-O 118.446 -0.788 . . . . 0.0 112.888 175.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.128 0 CA-C-N 119.702 1.137 . . . . 0.0 114.261 -174.648 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.574 0 CA-C-O 121.022 0.439 . . . . 0.0 111.753 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -73.55 44.84 0.17 Allowed 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 116.594 2.072 . . . . 0.0 116.594 -163.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 10.8 p -150.05 134.0 16.96 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.932 2.093 . . . . 0.0 105.726 168.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 2.5 tt -88.61 115.26 26.01 Favored 'General case' 0 CA--C 1.528 0.125 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -169.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.6 p -62.67 130.79 46.58 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 121.594 -0.691 . . . . 0.0 111.041 177.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.451 ' HZ3' ' CG ' ' B' ' 65' ' ' ASP . 2.4 pttm -46.13 -45.15 16.35 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 122.874 0.47 . . . . 0.0 112.156 -179.138 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 17.9 pttp -68.8 -17.29 64.0 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -176.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -93.83 -7.56 42.96 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 119.482 1.037 . . . . 0.0 112.043 168.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 9.3 tp -67.2 -33.54 75.6 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.901 0.773 . . . . 0.0 110.265 171.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 3.0 pptp? -41.36 -53.47 3.29 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 119.117 0.871 . . . . 0.0 112.376 176.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -42.99 -48.9 6.03 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 125.207 1.403 . . . . 0.0 112.235 174.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 tt -72.44 -46.75 53.55 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 125.916 1.686 . . . . 0.0 108.767 -171.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 2.2 pt -72.72 -49.62 39.3 Favored 'Isoleucine or valine' 0 C--N 1.341 0.233 0 CA-C-O 118.986 -0.53 . . . . 0.0 111.648 -177.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -50.1 -50.01 49.77 Favored 'General case' 0 C--N 1.339 0.119 0 CA-C-N 118.609 0.641 . . . . 0.0 110.254 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -94.19 -102.93 0.14 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.238 0.615 . . . . 0.0 112.349 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -30.49 -64.2 0.13 Allowed 'General case' 0 C--N 1.343 0.319 0 C-N-CA 129.155 2.982 . . . . 0.0 114.511 -168.09 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . 0.402 2.2 pp -89.5 15.16 9.79 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 -169.289 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 45.6 p -133.29 -166.67 1.8 Allowed 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 167.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . 0.271 61.2 mt 78.99 -47.41 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 125.997 1.719 . . . . 0.0 112.204 178.674 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.112 0 N-CA-C 108.793 -1.723 . . . . 0.0 108.793 168.323 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . 0.447 ' C ' ' H ' ' B' ' 60' ' ' LEU . 72.1 m-20 . . . . . 0 CA--C 1.517 -0.323 0 CA-C-O 118.214 -0.898 . . . . 0.0 113.174 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -69.67 27.96 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 120.101 1.319 . . . . 0.0 110.136 165.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.447 ' H ' ' C ' ' B' ' 58' ' ' ASP . 39.2 tp -60.25 -23.91 64.46 Favored 'General case' 0 C--N 1.343 0.304 0 C-N-CA 127.173 2.189 . . . . 0.0 112.542 -169.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -61.28 -7.29 2.73 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 125.56 1.544 . . . . 0.0 112.57 167.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 10.0 ttm105 -25.19 -37.55 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 131.076 3.75 . . . . 0.0 116.374 -172.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -47.7 -23.62 0.74 Allowed 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 171.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -6.5 1.5 Allowed 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 114.857 1.428 . . . . 0.0 114.857 173.056 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.451 ' CG ' ' HZ3' ' B' ' 31' ' ' LYS . 32.9 t70 -26.56 -48.42 0.03 OUTLIER 'General case' 0 C--N 1.343 0.29 0 C-N-CA 127.06 2.144 . . . . 0.0 115.79 -169.127 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -48.56 -65.5 0.56 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 122.625 0.37 . . . . 0.0 111.862 177.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -169.33 153.23 5.22 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 130.422 3.489 . . . . 0.0 105.192 170.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 1.8 t -85.99 121.64 37.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 C-N-CA 123.601 0.76 . . . . 0.0 108.969 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -86.06 164.58 17.24 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 168.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -55.35 -41.72 72.91 Favored 'General case' 0 N--CA 1.454 -0.226 0 O-C-N 121.903 -0.498 . . . . 0.0 111.351 -172.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -58.23 -55.12 39.13 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -176.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -56.87 -52.53 64.77 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 121.731 -0.606 . . . . 0.0 109.739 178.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -45.92 -55.52 6.63 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.582 1.153 . . . . 0.0 111.512 177.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 11.0 tp -75.96 -36.92 33.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 O-C-N 121.845 -0.535 . . . . 0.0 111.501 -173.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 82.2 m -55.12 -53.53 54.71 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 122.124 0.964 . . . . 0.0 109.021 173.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -55.6 -56.51 19.44 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 126.366 1.866 . . . . 0.0 111.044 178.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 16.7 mt -48.0 -48.58 32.56 Favored 'General case' 0 C--O 1.224 -0.246 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 173.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.76 -60.13 7.28 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 124.31 0.957 . . . . 0.0 112.827 175.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.71 -50.0 71.52 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.539 0.735 . . . . 0.0 110.397 -176.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 95.2 mt -66.85 -46.03 76.32 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 119.488 -0.291 . . . . 0.0 111.123 -178.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -48.44 -48.44 37.43 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 124.756 1.223 . . . . 0.0 111.723 -174.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 86.4 mtp -45.25 -43.18 10.2 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.437 0.695 . . . . 0.0 111.387 176.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 33.0 mm -90.3 -62.2 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 C-N-CA 123.714 0.806 . . . . 0.0 110.326 -175.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -74.75 -32.23 62.02 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -168.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.38 -84.6 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 119.384 0.993 . . . . 0.0 112.358 -167.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 . . . . . 0 C--O 1.234 0.248 0 C-N-CA 124.916 1.286 . . . . 0.0 110.54 -174.117 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.4 mp . . . . . 0 CA--C 1.537 0.459 0 N-CA-C 107.686 -1.228 . . . . 0.0 107.686 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.42 -44.83 11.25 Favored Glycine 0 C--O 1.225 -0.415 0 C-N-CA 127.78 2.61 . . . . 0.0 112.01 -179.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.72 -52.66 55.29 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 117.789 0.794 . . . . 0.0 109.999 176.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.1 mp -69.2 -37.38 78.08 Favored 'General case' 0 CA--C 1.531 0.233 0 O-C-N 121.707 -0.621 . . . . 0.0 110.819 -177.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.5 mm -60.5 -43.14 93.68 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 O-C-N 121.665 -0.647 . . . . 0.0 110.445 173.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.71 -57.87 14.44 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 109.9 -1.28 . . . . 0.0 109.9 174.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 75.0 mt -56.31 -47.4 81.24 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 C-N-CA 122.974 0.509 . . . . 0.0 111.261 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -38.46 -62.7 0.57 Allowed 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 115.726 1.751 . . . . 0.0 115.726 -167.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -82.77 9.47 9.67 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -174.596 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 tptp -64.62 -34.33 78.03 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 119.218 0.917 . . . . 0.0 112.366 -176.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.404 ' CZ ' ' HG ' ' A' ' 37' ' ' LEU . 86.3 m-85 -72.44 156.3 39.19 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 -166.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 96.1 p . . . . . 0 N--CA 1.454 -0.23 0 C-N-CA 128.437 2.695 . . . . 0.0 114.932 -174.267 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm . . . . . 0 N--CA 1.451 -0.376 0 N-CA-C 102.025 -3.324 . . . . 0.0 102.025 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.3 p-80 -51.74 -38.2 54.32 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 126.637 1.975 . . . . 0.0 110.724 -169.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.1 p -134.57 150.14 50.7 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 106.166 -1.79 . . . . 0.0 106.166 168.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -107.43 179.42 4.25 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.962 1.705 . . . . 0.0 107.913 174.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.2 p -158.71 96.79 1.4 Allowed 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.092 -1.005 . . . . 0.0 110.297 -178.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.283 0.1 OUTLIER 58.02 -61.63 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 128.622 2.769 . . . . 0.0 115.901 175.196 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.08 -42.23 85.12 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.508 0.723 . . . . 0.0 110.009 -172.101 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 59.2 mp0 -60.49 -46.49 89.93 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 175.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -60.81 -39.92 90.78 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 -176.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -61.75 -45.09 95.39 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 118.076 0.398 . . . . 0.0 111.844 171.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -55.97 -35.97 67.33 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 121.753 0.787 . . . . 0.0 111.371 173.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.449 ' CD2' ' HG ' ' A' ' 42' ' ' LEU . 4.9 tt -89.02 -78.89 0.33 Allowed 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 127.262 2.225 . . . . 0.0 111.889 -168.27 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 7.5 pt -54.91 -37.77 42.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.175 0 C-N-CA 123.746 0.818 . . . . 0.0 112.599 -166.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -68.06 -29.96 69.05 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 122.943 0.497 . . . . 0.0 110.728 -175.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -91.73 -62.31 1.45 Allowed 'General case' 0 C--O 1.235 0.291 0 C-N-CA 123.015 0.526 . . . . 0.0 110.624 175.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.3 mp0 -86.47 -100.69 0.07 Allowed 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.084 0.954 . . . . 0.0 111.968 -169.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.449 ' HG ' ' CD2' ' A' ' 37' ' ' LEU . 23.0 mt -28.66 -93.51 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 116.967 2.21 . . . . 0.0 116.967 -164.217 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.9 p -81.39 48.54 1.17 Allowed 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 124.203 1.001 . . . . 0.0 112.799 -166.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.8 tt . . . . . 0 CA--C 1.527 0.074 0 C-N-CA 124.311 1.044 . . . . 0.0 109.273 175.716 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 64.3 tp . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.3 tpt -62.22 -53.66 52.05 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.091 0.405 . . . . 0.0 110.993 -177.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -35.01 -64.46 0.27 Allowed 'General case' 0 C--N 1.337 0.065 0 C-N-CA 126.374 1.869 . . . . 0.0 110.659 -176.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -55.96 -13.07 1.66 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.886 1.674 . . . . 0.0 114.412 -169.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.0 mt -90.74 -36.42 14.31 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.919 1.288 . . . . 0.0 111.766 -175.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.417 ' C ' ' H ' ' A' ' 63' ' ' ASN . 2.6 t70 -54.64 -45.58 73.81 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-O 121.374 0.607 . . . . 0.0 109.616 -177.428 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 25.3 ptt85 -65.24 23.14 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.496 1.918 . . . . 0.0 114.634 174.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.417 ' H ' ' C ' ' A' ' 61' ' ' ASP . 3.5 p30 -29.51 -34.43 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 129.77 3.228 . . . . 0.0 117.412 -176.189 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -72.86 57.05 0.43 Allowed 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 119.665 1.121 . . . . 0.0 109.714 172.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -55.04 -24.15 23.43 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.644 1.578 . . . . 0.0 110.947 176.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -57.98 -47.83 81.81 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.286 0.634 . . . . 0.0 112.656 170.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -154.91 112.05 3.33 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 126.351 1.86 . . . . 0.0 107.613 -169.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.4 t -115.9 126.11 73.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -176.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -110.54 179.62 4.02 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 125.118 1.367 . . . . 0.0 108.563 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -53.27 -39.78 64.16 Favored 'General case' 0 C--O 1.221 -0.397 0 C-N-CA 123.373 0.669 . . . . 0.0 109.327 172.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.22 -53.85 31.21 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.459 1.104 . . . . 0.0 111.028 -177.476 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 58.4 mp0 -64.89 -55.33 20.02 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 177.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -45.65 -41.59 10.46 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.981 1.312 . . . . 0.0 112.826 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 9.3 tp -82.57 -45.21 19.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.291 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.0 m -48.35 -46.7 37.05 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 119.465 1.03 . . . . 0.0 109.875 176.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -50.21 -55.86 13.49 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 127.305 2.242 . . . . 0.0 111.688 177.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 92.9 mt -58.07 -48.62 79.59 Favored 'General case' 0 C--O 1.224 -0.24 0 O-C-N 121.72 -0.613 . . . . 0.0 109.667 171.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -43.96 -37.28 4.14 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 126.165 1.841 . . . . 0.0 113.495 175.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -82.97 -60.49 2.14 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 117.763 0.782 . . . . 0.0 112.396 173.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -78.82 -34.06 45.59 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 -166.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . 0.312 . . -61.91 -21.94 65.17 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 117.25 2.315 . . . . 0.0 117.25 -166.271 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 2.1 mmm -69.89 -35.68 74.82 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 120.725 1.602 . . . . 0.0 108.064 173.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 30.6 mm -69.59 -53.11 26.29 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 -179.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -91.27 -49.47 6.35 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 114.946 1.462 . . . . 0.0 114.946 -170.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -95.23 -104.73 0.15 Allowed 'General case' 0 C--N 1.346 0.428 0 CA-C-N 119.932 1.242 . . . . 0.0 111.377 -170.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 . . . . . 0 N--CA 1.445 -0.721 1 C-N-CA 131.798 4.039 . . . . 0.0 104.552 176.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.7 mp -58.09 -53.93 39.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 175.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.28 -46.0 28.09 Favored Glycine 0 CA--C 1.532 1.141 0 CA-C-N 118.33 0.514 . . . . 0.0 111.861 176.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 49.2 tp -56.02 -27.4 52.89 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.24 1.016 . . . . 0.0 112.044 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.75 -43.04 99.63 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 120.408 1.458 . . . . 0.0 110.639 174.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -68.11 -42.24 84.87 Favored 'Isoleucine or valine' 0 C--N 1.342 0.271 0 CA-C-N 118.762 0.71 . . . . 0.0 109.258 169.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -46.11 -59.21 5.23 Favored Glycine 0 CA--C 1.533 1.204 0 CA-C-N 118.806 0.73 . . . . 0.0 111.851 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 21.5 mm -58.34 -52.74 55.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 125.435 1.494 . . . . 0.0 110.069 176.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -37.14 -76.44 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 125.165 1.386 . . . . 0.0 114.456 -167.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -71.04 -21.19 62.29 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 122.253 -0.279 . . . . 0.0 111.464 -176.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.32 -33.85 72.0 Favored 'General case' 0 C--N 1.341 0.206 0 O-C-N 121.496 -0.752 . . . . 0.0 109.699 -179.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -78.51 53.44 1.3 Allowed 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 121.995 0.902 . . . . 0.0 111.132 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 7.1 m -129.67 25.85 5.34 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 126.216 1.807 . . . . 0.0 110.135 168.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.618 0 C-N-CA 126.435 1.969 . . . . 0.0 113.905 168.048 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 39.5 mmtm . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 14.2 p80 -76.88 60.87 1.83 Allowed 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.444 0.698 . . . . 0.0 109.9 -177.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 3.3 p -163.61 162.69 24.43 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 128.175 2.59 . . . . 0.0 105.48 -171.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 mp -111.36 131.4 55.2 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 104.833 -2.284 . . . . 0.0 104.833 168.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 28.0 m -87.97 152.93 21.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 118.558 0.617 . . . . 0.0 110.722 -174.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 7.4 pttm -59.73 140.63 56.34 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.878 -0.514 . . . . 0.0 109.866 175.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.475 ' HZ2' ' CD ' ' B' ' 33' ' ' GLU 0.409 0.0 OUTLIER 92.04 -41.71 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 129.979 3.311 . . . . 0.0 110.834 -169.674 . . . . . . . . 4 4 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . 0.475 ' CD ' ' HZ2' ' B' ' 32' ' ' LYS . 58.3 mp0 -66.56 -36.36 82.45 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.902 1.228 . . . . 0.0 111.45 174.45 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.91 -49.5 75.92 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 119.497 1.044 . . . . 0.0 109.544 174.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.77 -25.85 12.52 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.184 0.594 . . . . 0.0 111.3 171.196 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -77.86 -58.93 3.0 Favored 'General case' 0 N--CA 1.449 -0.514 0 O-C-N 121.048 -1.033 . . . . 0.0 111.502 177.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . 0.278 4.0 pp -53.67 -41.83 67.27 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -178.123 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 20.8 tt -60.86 -34.53 59.78 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 120.294 -0.563 . . . . 0.0 111.754 178.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 11.8 tp60 -72.45 -60.79 2.06 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 119.187 -0.435 . . . . 0.0 111.131 -169.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 16.2 mtmm -93.57 -63.68 1.18 Allowed 'General case' 0 CA--C 1.529 0.168 0 CA-C-O 121.57 0.7 . . . . 0.0 110.361 -175.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 33.5 mp0 -54.2 -55.46 27.74 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 126.803 2.041 . . . . 0.0 111.473 -167.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 22.1 mt -63.06 -9.68 11.37 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 178.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 32.1 m 73.22 -68.08 0.24 Allowed 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 125.227 1.411 . . . . 0.0 113.201 168.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 43.6 pt 38.53 44.63 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 126.784 2.034 . . . . 0.0 113.477 -178.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.608 0 N-CA-C 109.207 -1.557 . . . . 0.0 109.207 179.591 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . 0.442 ' C ' ' H ' ' B' ' 60' ' ' LEU . 60.9 m-20 . . . . . 0 CA--C 1.518 -0.263 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . 0.43 ' CG ' HH21 ' B' ' 62' ' ' ARG . 20.8 t0 -68.2 32.03 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.856 1.662 . . . . 0.0 108.543 163.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.442 ' H ' ' C ' ' B' ' 58' ' ' ASP . 25.4 tp -47.37 -19.89 0.18 Allowed 'General case' 0 C--N 1.348 0.509 0 C-N-CA 129.446 3.098 . . . . 0.0 112.398 -170.253 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -36.46 -37.26 0.12 Allowed 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.878 2.071 . . . . 0.0 110.021 162.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . 0.43 HH21 ' CG ' ' B' ' 59' ' ' ASP . 0.1 OUTLIER -63.65 -10.98 21.7 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 126.483 1.913 . . . . 0.0 113.549 -177.121 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -51.34 -37.69 49.14 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.897 0.879 . . . . 0.0 109.252 168.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . 0.267 18.1 pttp 60.63 -53.43 0.09 Allowed 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 118.191 2.663 . . . . 0.0 118.191 168.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -78.06 32.57 0.18 Allowed 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 120.426 1.466 . . . . 0.0 113.544 -166.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.2 -174.11 0.86 Allowed 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 127.014 2.126 . . . . 0.0 106.735 -177.157 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -110.66 159.69 17.36 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 105.361 -2.089 . . . . 0.0 105.361 165.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 25.0 t -97.07 149.58 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 123.437 0.695 . . . . 0.0 109.251 -168.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -107.12 166.4 10.65 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.717 1.207 . . . . 0.0 110.451 176.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -48.81 -48.62 41.31 Favored 'General case' 0 C--N 1.343 0.304 0 C-N-CA 124.26 1.024 . . . . 0.0 110.526 -175.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -51.96 -56.23 15.47 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 122.866 0.466 . . . . 0.0 109.775 -174.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -56.0 -50.33 71.15 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 122.859 0.464 . . . . 0.0 110.488 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -48.56 -66.43 0.4 Allowed 'General case' 0 C--O 1.231 0.09 0 C-N-CA 123.733 0.813 . . . . 0.0 110.286 175.315 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 9.2 tp -62.54 -32.79 56.49 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 -171.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 85.2 m -62.14 -46.48 88.79 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 118.453 -0.784 . . . . 0.0 111.1 174.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . 0.276 0.3 OUTLIER -65.35 -44.22 88.37 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 119.798 1.181 . . . . 0.0 110.597 176.903 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 6.9 mp -51.78 -37.96 53.58 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.436 -0.79 . . . . 0.0 111.224 169.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -69.58 -45.17 60.57 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 124.481 1.039 . . . . 0.0 112.802 178.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.41 -48.68 74.01 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.459 0.703 . . . . 0.0 109.278 174.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 85.7 mt -59.53 -48.54 81.26 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 119.215 -0.421 . . . . 0.0 110.537 171.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -46.02 -57.38 4.48 Favored 'General case' 0 CA--C 1.517 -0.318 0 C-N-CA 125.476 1.51 . . . . 0.0 111.732 -175.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 75.2 mtm -42.85 -47.5 5.58 Favored 'General case' 0 CA--C 1.529 0.168 0 O-C-N 124.268 0.98 . . . . 0.0 110.461 178.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 65.2 mt -77.55 -73.98 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.628 0 C-N-CA 124.061 0.944 . . . . 0.0 110.267 -177.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.45 -25.96 68.24 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 113.348 0.869 . . . . 0.0 113.348 -167.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -68.64 -55.84 10.17 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 119.159 0.891 . . . . 0.0 110.702 -179.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 27.1 pt-20 . . . . . 0 C--N 1.332 -0.192 0 N-CA-C 115.636 1.717 . . . . 0.0 115.636 -174.709 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 43.1 mm . . . . . 0 CA--C 1.534 0.353 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.53 -53.19 13.08 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 123.653 0.644 . . . . 0.0 112.275 169.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.5 mt -57.08 -48.13 79.34 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 121.281 -1.129 . . . . 0.0 110.53 177.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 mp -57.77 -40.74 80.51 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.32 0.648 . . . . 0.0 111.645 178.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 67.4 mt -58.83 -44.57 90.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 C-N-CA 123.856 0.862 . . . . 0.0 109.478 171.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -50.06 -64.21 3.71 Favored Glycine 0 CA--C 1.528 0.859 0 N-CA-C 110.427 -1.069 . . . . 0.0 110.427 171.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.8 mp -52.58 -48.43 47.54 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 117.731 0.765 . . . . 0.0 110.172 -177.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -43.12 -73.82 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 124.351 1.061 . . . . 0.0 110.178 170.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . 0.331 1.0 OUTLIER -75.0 -7.12 52.73 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 115.177 1.547 . . . . 0.0 115.177 -170.811 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -64.0 -20.01 65.59 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 118.738 -0.648 . . . . 0.0 112.406 170.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -87.72 -40.02 14.47 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 120.022 1.283 . . . . 0.0 110.83 -179.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.3 p . . . . . 0 CA--C 1.538 0.51 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 179.306 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? . . . . . 0 CA--C 1.534 0.359 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -167.1 -44.88 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.043 0.937 . . . . 0.0 110.067 169.3 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 48.3 p -98.46 -149.32 0.34 Allowed 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 169.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 21.1 mt -138.43 134.39 34.01 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 106.218 -1.771 . . . . 0.0 106.218 167.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.4 m -68.44 140.04 55.75 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 173.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -43.24 -51.28 6.23 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.163 1.385 . . . . 0.0 111.547 -177.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.8 tmtt? -48.49 -43.95 35.37 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.599 1.16 . . . . 0.0 111.834 177.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -66.29 -39.09 89.13 Favored 'General case' 0 N--CA 1.451 -0.424 0 O-C-N 121.845 -0.534 . . . . 0.0 109.88 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.5 tp -66.03 -37.49 86.0 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 119.712 -0.795 . . . . 0.0 110.238 177.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -59.53 -37.63 78.88 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 118.068 0.394 . . . . 0.0 111.925 171.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -68.37 -44.39 75.3 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 123.167 1.46 . . . . 0.0 110.702 176.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 tt -62.45 -66.55 0.52 Allowed 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 125.379 1.472 . . . . 0.0 109.822 -177.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -35.9 -49.13 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 C-N-CA 125.462 1.505 . . . . 0.0 113.797 -169.224 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -51.22 -39.23 56.11 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 118.706 -0.664 . . . . 0.0 112.403 -169.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.23 -86.92 0.26 Allowed 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 121.476 0.655 . . . . 0.0 112.636 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.4 mp0 -50.76 -46.72 59.53 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 126.455 1.902 . . . . 0.0 114.743 -165.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.4 mt -77.16 -9.89 59.05 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -168.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.1 p -73.76 177.07 5.74 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 118.454 0.57 . . . . 0.0 110.633 -175.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 31.7 pt . . . . . 0 CA--C 1.54 0.563 0 CA-C-O 121.191 0.52 . . . . 0.0 110.955 169.792 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 66.8 tp . . . . . 0 C--O 1.234 0.26 0 CA-C-O 118.961 -0.542 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 66.9 mtt -90.36 -55.15 3.71 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 122.998 0.519 . . . . 0.0 111.876 -175.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.48 -19.39 56.57 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 126.211 1.804 . . . . 0.0 115.379 -168.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -57.94 -7.19 0.69 Allowed 'General case' 0 CA--C 1.556 1.183 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.541 165.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 pp -36.69 -15.88 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 131.088 3.755 . . . . 0.0 117.413 177.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.41 -17.42 0.76 Allowed 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 119.036 0.835 . . . . 0.0 109.32 163.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -39.61 -46.09 1.74 Allowed 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.899 -0.5 . . . . 0.0 111.699 165.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -63.36 -75.79 0.07 Allowed 'General case' 0 C--N 1.338 0.08 0 N-CA-C 115.097 1.517 . . . . 0.0 115.097 -167.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -63.97 130.12 42.8 Favored 'General case' 0 N--CA 1.436 -1.131 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 -164.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 19.02 43.86 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.389 1 C-N-CA 134.104 4.961 . . . . 0.0 116.035 167.521 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 59.13 -121.76 1.15 Allowed 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.37 1.068 . . . . 0.0 110.575 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -59.66 157.83 11.16 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 119.277 0.944 . . . . 0.0 111.205 -173.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.0 m -122.95 129.14 75.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 113.094 0.775 . . . . 0.0 113.094 -164.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -105.06 -164.66 1.06 Allowed 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 169.614 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -57.64 -40.52 79.45 Favored 'General case' 0 C--N 1.339 0.143 0 CA-C-N 119.053 0.842 . . . . 0.0 110.738 -178.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.76 -61.78 2.04 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 176.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.4 mp0 -56.72 -48.5 77.6 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-O 118.898 -0.572 . . . . 0.0 111.129 -179.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -50.57 -57.48 8.06 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.489 0.715 . . . . 0.0 111.051 178.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 7.6 mm -62.28 -47.1 94.64 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.136 0 CA-C-O 121.066 0.46 . . . . 0.0 110.386 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.408 ' HA ' ' CG2' ' B' ' 74' ' ' ILE . 31.0 m -54.21 -47.5 72.06 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.656 1.182 . . . . 0.0 110.923 -176.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -56.05 -60.65 3.19 Favored 'General case' 0 N--CA 1.436 -1.174 0 C-N-CA 125.039 1.336 . . . . 0.0 110.038 169.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -38.84 -60.88 0.79 Allowed 'General case' 0 C--N 1.343 0.289 0 C-N-CA 124.217 1.007 . . . . 0.0 111.95 176.518 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.19 -53.88 32.16 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 174.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.7 -36.68 57.69 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 118.338 1.069 . . . . 0.0 112.868 -179.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 40.9 mt -51.68 -30.39 21.76 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.805 0.73 . . . . 0.0 111.748 175.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -49.32 -44.83 44.72 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.375 0.67 . . . . 0.0 111.157 173.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 72.3 mtm -62.12 -17.61 58.28 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.245 0.618 . . . . 0.0 112.289 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 20.9 mm -93.66 -70.77 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 C-N-CA 124.033 0.933 . . . . 0.0 109.369 169.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -77.52 -41.04 40.67 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 113.866 1.062 . . . . 0.0 113.866 -168.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -92.53 21.08 5.65 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.579 0.751 . . . . 0.0 111.544 -176.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 . . . . . 0 N--CA 1.444 -0.726 0 CA-C-O 122.277 1.036 . . . . 0.0 112.095 -168.547 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.145 0 CA-C-O 120.693 0.282 . . . . 0.0 110.773 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 58.5 mt -45.97 -43.58 4.74 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 C-N-CA 125.204 1.402 . . . . 0.0 110.049 174.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -40.41 -49.26 3.81 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 124.991 1.281 . . . . 0.0 112.878 172.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 63.3 tp -62.45 -47.49 83.8 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.128 0.964 . . . . 0.0 110.178 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.68 -40.28 94.41 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 119.281 -0.39 . . . . 0.0 110.632 -178.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 71.3 mt -61.28 -51.28 74.89 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.141 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 172.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -45.27 -55.26 6.78 Favored Glycine 0 C--N 1.336 0.55 0 N-CA-C 110.019 -1.232 . . . . 0.0 110.019 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 94.9 mt -60.68 -61.25 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 CA-C-O 119.179 -0.439 . . . . 0.0 110.077 177.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -38.53 -62.77 0.56 Allowed 'General case' 0 C--N 1.344 0.349 0 C-N-CA 125.148 1.379 . . . . 0.0 111.072 179.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . 0.294 0.9 OUTLIER -90.72 16.78 8.58 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -175.195 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 tmtm? -74.66 -50.32 18.11 Favored 'General case' 0 C--N 1.338 0.094 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 166.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -83.21 44.85 0.98 Allowed 'General case' 0 CA--C 1.518 -0.268 0 C-N-CA 124.219 1.008 . . . . 0.0 111.255 -176.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 19.4 m -79.38 51.73 1.26 Allowed 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.455 0.702 . . . . 0.0 110.393 177.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 0.461 0 N-CA-C 107.705 -2.158 . . . . 0.0 107.705 -178.374 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? . . . . . 0 CA--C 1.535 0.385 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -76.06 -22.77 55.28 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -167.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 22.0 p -105.33 163.92 12.24 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.414 1.086 . . . . 0.0 109.968 172.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 85.5 mt -117.27 129.48 55.94 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.805 1.642 . . . . 0.0 109.242 176.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 90.6 p -86.7 153.51 21.68 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 125.12 1.368 . . . . 0.0 108.529 170.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.5 mttp -54.48 -31.92 56.8 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 115.101 1.519 . . . . 0.0 115.101 -169.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 2.2 tmtm? -56.48 -38.15 71.32 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 119.477 1.035 . . . . 0.0 111.672 173.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -68.07 -47.5 68.12 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 178.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.41 -45.22 72.92 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-O 118.552 -0.737 . . . . 0.0 112.447 176.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 9.4 mmpt? -53.86 -31.27 49.02 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 119.119 0.872 . . . . 0.0 111.719 177.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -75.98 -54.96 6.09 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-O 121.944 0.878 . . . . 0.0 110.36 174.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.07 -47.06 75.37 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 125.765 1.626 . . . . 0.0 111.838 -173.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 10.1 pt -67.03 -24.6 32.55 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-N 118.203 0.456 . . . . 0.0 112.165 177.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -61.79 -44.47 96.81 Favored 'General case' 0 N--CA 1.448 -0.528 0 O-C-N 121.99 -0.444 . . . . 0.0 110.077 -169.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -90.83 -102.96 0.1 Allowed 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 -173.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.95 -34.98 12.17 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 120.381 3.474 . . . . 0.0 120.381 -161.187 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -41.15 -50.19 3.51 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 -165.186 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 56.3 p -25.85 -83.56 0.0 OUTLIER 'General case' 0 C--O 1.231 0.102 0 C-N-CA 128.057 2.543 . . . . 0.0 112.417 -169.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mt -106.34 39.46 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 126.276 1.831 . . . . 0.0 107.984 -179.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.341 0.834 0 C-N-CA 127.834 2.635 . . . . 0.0 113.885 -170.047 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 21.1 t70 . . . . . 0 N--CA 1.468 0.428 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -66.49 9.2 0.18 Allowed 'General case' 0 CA--C 1.552 1.054 0 O-C-N 121.525 -0.734 . . . . 0.0 110.628 165.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.6 mt -53.72 -7.75 0.13 Allowed 'General case' 0 C--N 1.348 0.517 0 C-N-CA 127.178 2.191 . . . . 0.0 111.338 165.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -41.68 -28.59 0.15 Allowed 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.887 1.275 . . . . 0.0 109.603 160.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -51.67 -13.52 0.26 Allowed 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.946 1.461 . . . . 0.0 114.946 172.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -25.6 -80.44 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 130.241 3.416 . . . . 0.0 114.792 -169.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 10.4 pttp 178.92 -42.11 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 123.807 0.843 . . . . 0.0 110.847 178.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -71.64 3.2 4.22 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -168.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . 0.263 0.1 OUTLIER 75.74 -103.85 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.44 1.496 . . . . 0.0 112.698 168.411 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -73.72 146.36 44.46 Favored 'General case' 0 C--O 1.231 0.112 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 -176.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 93.7 t -107.76 125.73 64.2 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 CA-C-O 121.606 0.717 . . . . 0.0 112.623 -168.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -101.92 175.55 5.51 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 105.502 -2.036 . . . . 0.0 105.502 165.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -53.73 -45.55 70.56 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 119.189 0.904 . . . . 0.0 111.164 -176.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -53.86 -39.12 65.4 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.077 0.551 . . . . 0.0 110.701 178.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.51 -29.99 37.25 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 119.401 1.001 . . . . 0.0 111.776 -179.344 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -60.91 -46.32 91.12 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 169.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . 0.408 ' CG2' ' HA ' ' A' ' 75' ' ' THR . 24.4 mm -67.46 -37.72 79.39 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 CA-C-O 117.767 -1.111 . . . . 0.0 110.677 177.585 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 2.9 m -38.74 -52.57 1.69 Allowed 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 120.208 1.367 . . . . 0.0 112.018 -179.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -77.49 -49.45 14.73 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 119.535 -0.866 . . . . 0.0 112.283 178.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.25 -37.84 75.73 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 118.933 0.788 . . . . 0.0 111.064 -173.541 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.94 -45.81 79.4 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 124.697 1.141 . . . . 0.0 112.914 169.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.98 -50.39 73.59 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 118.299 1.05 . . . . 0.0 109.353 175.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -52.66 -42.13 64.44 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.187 174.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.96 -46.92 87.16 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 118.814 0.734 . . . . 0.0 110.273 178.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 8.8 ttt -50.92 -45.71 60.52 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 173.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 96.5 mt -67.5 -63.16 0.98 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 122.921 0.489 . . . . 0.0 111.434 -179.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -68.69 -34.97 76.58 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 120.951 -1.093 . . . . 0.0 112.036 -171.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -91.3 25.52 2.53 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.692 1.197 . . . . 0.0 112.07 -175.083 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.541 0.599 0 N-CA-C 116.699 2.111 . . . . 0.0 116.699 -168.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 45.7 mt . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -44.77 -47.57 9.2 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 124.936 1.255 . . . . 0.0 111.715 172.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -66.2 -51.92 53.01 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.113 0.956 . . . . 0.0 109.841 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.8 mp -52.98 -47.76 67.94 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 118.225 0.466 . . . . 0.0 111.386 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 90.8 mt -65.2 -44.33 95.26 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.135 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 175.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -50.58 -53.6 24.48 Favored Glycine 0 C--O 1.223 -0.593 0 C-N-CA 125.307 1.432 . . . . 0.0 111.179 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 33.9 mm -58.26 -60.98 1.56 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 CA-C-N 117.918 0.859 . . . . 0.0 109.893 178.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -38.79 -59.3 0.97 Allowed 'General case' 0 C--N 1.341 0.212 0 C-N-CA 124.94 1.296 . . . . 0.0 111.401 176.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . 0.331 0.1 OUTLIER -90.07 -12.64 37.83 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 -170.626 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 43.8 tttm -62.06 -45.1 95.05 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 166.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.0 m-30 -78.51 52.35 1.16 Allowed 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 122.583 1.182 . . . . 0.0 110.537 -176.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 83.0 p . . . . . 0 N--CA 1.445 -0.716 0 CA-C-O 122.357 1.075 . . . . 0.0 109.49 176.441 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? . . . . . 0 CA--C 1.539 0.532 0 CA-C-O 121.837 0.827 . . . . 0.0 112.013 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -145.81 -62.41 0.33 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 128.794 2.838 . . . . 0.0 105.537 174.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.57 160.73 19.6 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 127.149 2.18 . . . . 0.0 111.008 -172.452 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.0 tp -94.54 125.42 39.17 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 124.955 1.302 . . . . 0.0 107.786 -176.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.6 m -65.73 131.29 45.97 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.8 pttm -54.97 -32.13 61.31 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.491 -0.755 . . . . 0.0 112.268 176.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.23 -59.2 2.85 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -177.656 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -55.89 -26.27 46.57 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.313 0.961 . . . . 0.0 112.885 173.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.6 tt -54.61 -34.25 61.73 Favored 'General case' 0 C--N 1.342 0.249 0 CA-C-N 120.238 1.381 . . . . 0.0 110.103 171.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . 0.287 5.1 mptt -67.98 -1.18 5.27 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 120.493 -1.38 . . . . 0.0 113.864 176.625 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -74.84 -47.34 30.96 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 163.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 tt -47.16 -52.48 15.44 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 126.845 2.058 . . . . 0.0 109.783 178.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -44.46 96.19 Favored 'Isoleucine or valine' 0 C--N 1.343 0.3 0 C-N-CA 120.33 -0.548 . . . . 0.0 111.202 -176.449 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.17 -60.99 2.89 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 -177.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.403 ' NZ ' ' OE2' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -92.99 -84.18 0.3 Allowed 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.974 1.102 . . . . 0.0 113.974 -173.143 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.403 ' OE2' ' NZ ' ' A' ' 40' ' ' LYS . 18.2 mp0 -44.11 -57.22 3.52 Favored 'General case' 0 C--O 1.231 0.101 0 N-CA-C 115.877 1.806 . . . . 0.0 115.877 -164.396 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . 0.305 0.2 OUTLIER -68.45 -2.25 8.25 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 118.378 -1.329 . . . . 0.0 113.332 -171.79 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.0 m 60.69 -114.77 0.63 Allowed 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.095 -1.003 . . . . 0.0 110.283 168.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.6 mt . . . . . 0 CA--C 1.534 0.331 0 C-N-CA 124.042 0.937 . . . . 0.0 111.39 178.042 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 CA--C 1.535 0.371 0 N-CA-C 110.27 -0.271 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 27.2 ttt -57.48 -52.35 65.75 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 122.131 -0.356 . . . . 0.0 110.628 175.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -61.25 -33.83 74.16 Favored 'General case' 0 CA--C 1.522 -0.127 0 O-C-N 121.413 -0.804 . . . . 0.0 111.85 178.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -67.75 15.99 0.04 OUTLIER 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 170.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.4 mt -55.44 -27.6 49.09 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 120.304 1.411 . . . . 0.0 108.409 163.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.481 ' CG ' HH21 ' A' ' 62' ' ' ARG . 1.0 OUTLIER -46.71 -38.83 10.48 Favored 'General case' 0 C--N 1.346 0.448 0 CA-C-O 121.857 0.837 . . . . 0.0 111.138 169.151 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.481 HH21 ' CG ' ' A' ' 61' ' ' ASP . 0.3 OUTLIER -68.77 -11.18 60.05 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 113.383 0.883 . . . . 0.0 113.383 -176.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -55.36 -38.71 69.14 Favored 'General case' 0 CA--C 1.521 -0.15 0 C-N-CA 123.906 0.882 . . . . 0.0 113.363 -174.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -152.5 162.05 41.74 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 107.192 -1.411 . . . . 0.0 107.192 170.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 75.55 -35.49 0.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 127.081 2.152 . . . . 0.0 112.788 169.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 74.24 -73.0 0.1 Allowed 'General case' 0 N--CA 1.457 -0.088 0 C-N-CA 125.751 1.62 . . . . 0.0 109.424 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -80.9 78.89 7.66 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 105.052 -2.203 . . . . 0.0 105.052 169.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 13.0 m -52.72 147.93 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 N-CA-C 115.874 1.805 . . . . 0.0 115.874 -166.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.2 p30 -81.9 174.93 10.83 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.494 1.118 . . . . 0.0 110.051 169.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -61.74 -37.06 82.84 Favored 'General case' 0 C--O 1.225 -0.22 0 C-N-CA 123.56 0.744 . . . . 0.0 112.452 -176.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -64.44 -51.06 65.03 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 118.899 0.772 . . . . 0.0 109.951 176.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.25 -49.55 73.85 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.476 0.58 . . . . 0.0 110.173 178.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -47.16 -58.26 4.25 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.608 0.763 . . . . 0.0 110.73 171.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.3 mm -57.74 -43.76 84.52 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 C-N-CA 123.967 0.907 . . . . 0.0 111.478 -176.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -54.08 -52.34 61.27 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 115.366 1.617 . . . . 0.0 115.366 -167.357 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . 0.274 24.2 p90 -65.39 -43.05 91.88 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 117.526 -1.669 . . . . 0.0 111.222 -178.6 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 44.5 mt -50.9 -48.69 60.43 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.299 0.64 . . . . 0.0 110.347 176.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -60.11 -59.07 11.06 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 176.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.7 -54.24 10.05 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 124.407 1.083 . . . . 0.0 110.777 -178.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 39.0 mt -56.98 -23.44 45.9 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.502 1.121 . . . . 0.0 112.164 -178.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.21 -42.57 69.93 Favored 'General case' 0 C--N 1.339 0.139 0 CA-C-N 119.842 1.201 . . . . 0.0 111.249 173.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 67.0 mtm -59.97 -21.04 60.71 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 119.034 -0.508 . . . . 0.0 111.256 178.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 32.2 mm -91.74 -73.7 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 C-N-CA 124.201 1.0 . . . . 0.0 110.549 172.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . 0.256 0.1 OUTLIER -71.31 -21.81 62.02 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 114.509 1.299 . . . . 0.0 114.509 -168.066 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -91.18 22.59 3.71 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 119.286 0.948 . . . . 0.0 111.434 -176.267 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 . . . . . 0 N--CA 1.445 -0.676 0 CA-C-O 122.946 1.355 . . . . 0.0 112.942 -169.849 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.228 0 N-CA-C 111.288 0.107 . . . . 0.0 111.288 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 59.2 mt -53.33 -51.56 39.53 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 177.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.09 -50.88 43.77 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 123.913 0.768 . . . . 0.0 111.324 175.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 7.8 tt -54.59 -55.62 27.47 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.623 0.769 . . . . 0.0 109.445 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 8.9 mp -54.13 -49.74 68.5 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 118.279 0.491 . . . . 0.0 110.642 177.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 48.1 mt -64.53 -31.07 52.09 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 123.354 0.661 . . . . 0.0 112.256 -175.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -84.47 -51.0 4.04 Favored Glycine 0 CA--C 1.532 1.105 0 C-N-CA 124.171 0.891 . . . . 0.0 111.78 179.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 7.5 tt -58.67 -32.79 47.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 O-C-N 122.047 -0.678 . . . . 0.0 109.938 -177.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -35.79 -43.85 0.32 Allowed 'General case' 0 C--N 1.343 0.319 0 C-N-CA 126.109 1.764 . . . . 0.0 113.772 168.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -94.31 -46.26 7.13 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 120.792 0.329 . . . . 0.0 111.505 -178.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 8.8 mmtm -48.3 -33.55 9.03 Favored 'General case' 0 N--CA 1.462 0.127 0 N-CA-C 117.408 2.374 . . . . 0.0 117.408 -167.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . 0.269 14.1 m-30 -55.87 143.72 30.57 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.215 0.916 . . . . 0.0 112.975 -168.169 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 16.9 m 71.49 -28.54 0.18 Allowed 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 127.736 2.415 . . . . 0.0 113.081 -166.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.914 0 CA-C-N 119.791 1.178 . . . . 0.0 111.937 179.645 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 48.9 mttp . . . . . 0 CA--C 1.534 0.332 0 CA-C-O 120.328 0.108 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 35.0 p80 -120.76 -158.38 0.75 Allowed 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.67 0.788 . . . . 0.0 110.926 -169.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 15.1 p -44.7 140.74 2.34 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 126.412 1.885 . . . . 0.0 111.239 171.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 52.0 mt -70.47 124.52 24.4 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.07 60.79 4.37 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 124.199 1.0 . . . . 0.0 109.914 -175.387 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp 68.71 -76.93 0.05 Allowed 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 124.57 1.148 . . . . 0.0 112.898 172.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -55.06 -45.63 75.32 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 119.484 1.038 . . . . 0.0 110.729 -170.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -44.82 -39.34 5.22 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.789 0.836 . . . . 0.0 112.797 172.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.58 -36.41 69.33 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 119.091 0.86 . . . . 0.0 110.775 -178.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 27.8 mmtt -62.91 -24.58 67.91 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 120.988 -1.07 . . . . 0.0 113.133 -177.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -60.15 -49.69 76.65 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-O 122.187 0.994 . . . . 0.0 109.023 172.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 tt -54.04 -54.03 44.92 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 114.726 -1.124 . . . . 0.0 109.144 177.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . 0.282 0.8 OUTLIER -63.98 -43.13 97.57 Favored 'Isoleucine or valine' 0 C--N 1.341 0.219 0 C-N-CA 119.037 -1.065 . . . . 0.0 111.815 -173.579 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -67.85 -45.87 73.39 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 118.764 -1.175 . . . . 0.0 111.12 -177.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -94.26 -90.18 0.21 Allowed 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 16.2 mp0 -47.92 -29.27 3.21 Favored 'General case' 0 N--CA 1.462 0.141 0 N-CA-C 116.701 2.111 . . . . 0.0 116.701 -165.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 70.2 mt -54.49 -22.44 12.86 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 119.844 1.202 . . . . 0.0 113.023 174.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 31.1 m 77.76 -58.49 0.47 Allowed 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 125.063 1.345 . . . . 0.0 112.34 169.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 pp 27.99 59.43 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 128.02 2.528 . . . . 0.0 114.882 169.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 C-N-CA 125.259 1.409 . . . . 0.0 111.015 -178.52 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 . . . . . 0 N--CA 1.458 -0.062 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -62.28 -7.68 4.65 Favored 'General case' 0 CA--C 1.539 0.519 0 O-C-N 121.15 -0.969 . . . . 0.0 111.073 168.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 18.9 mt -41.45 -11.06 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 128.172 2.589 . . . . 0.0 114.798 168.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -49.43 -21.0 0.8 Allowed 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.198 -0.939 . . . . 0.0 111.144 163.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -39.97 -37.97 0.65 Allowed 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.665 1.186 . . . . 0.0 111.642 166.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -48.2 -30.2 4.45 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -177.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.58 43.91 2.11 Favored 'General case' 0 CA--C 1.53 0.173 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 169.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 19.3 t70 19.36 56.4 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 128.196 2.598 . . . . 0.0 113.614 -169.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . 0.282 10.2 pt20 49.5 10.61 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 117.395 2.368 . . . . 0.0 117.395 -179.367 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -83.38 62.76 6.91 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 106.063 -1.828 . . . . 0.0 106.063 169.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -74.13 135.21 27.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 116.183 1.92 . . . . 0.0 116.183 -163.308 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -99.88 155.15 17.83 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 125.548 1.539 . . . . 0.0 107.049 165.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -52.76 -43.61 65.91 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 118.31 0.505 . . . . 0.0 110.769 -178.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -40.88 -56.54 2.2 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.434 1.094 . . . . 0.0 110.902 171.276 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -76.59 -45.78 28.91 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 125.38 1.472 . . . . 0.0 110.2 -168.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -47.21 -49.13 23.56 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.875 1.67 . . . . 0.0 108.755 170.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 21.1 mm -67.96 -45.4 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 CA-C-O 118.286 -0.864 . . . . 0.0 111.519 175.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 48.9 m -47.65 -51.33 21.92 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 119.97 1.259 . . . . 0.0 108.734 177.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -59.45 -58.98 6.22 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 126.251 1.821 . . . . 0.0 111.521 178.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 14.7 mt -49.99 -46.82 52.97 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.455 0.571 . . . . 0.0 111.505 177.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -62.84 -46.39 93.71 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 125.742 1.639 . . . . 0.0 112.279 178.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.96 -54.53 45.58 Favored 'General case' 0 C--N 1.338 0.104 0 CA-C-N 117.989 0.895 . . . . 0.0 108.873 176.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.15 -30.44 71.59 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.384 -178.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.86 -41.72 71.14 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-N 119.498 1.044 . . . . 0.0 112.102 175.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 59.8 mtm -61.83 -16.62 51.61 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 118.753 -0.641 . . . . 0.0 112.213 176.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 25.1 mt -91.27 -71.79 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 124.947 1.299 . . . . 0.0 109.14 169.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -63.45 -39.11 93.61 Favored 'General case' 0 N--CA 1.464 0.252 0 O-C-N 120.513 -1.367 . . . . 0.0 112.264 -170.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -93.68 24.5 4.05 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.991 1.316 . . . . 0.0 111.934 173.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.517 0 N-CA-C 116.746 2.128 . . . . 0.0 116.746 -169.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.8 mt . . . . . 0 C--O 1.236 0.384 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -44.86 -43.87 8.47 Favored Glycine 0 C--N 1.337 0.624 0 C-N-CA 126.568 2.032 . . . . 0.0 111.89 -179.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.9 tp -82.1 -65.66 0.98 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 117.988 0.894 . . . . 0.0 110.941 173.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 68.4 mt -63.66 -51.7 63.95 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 -165.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.3 mt -77.05 -30.95 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 CA-C-N 119.751 1.16 . . . . 0.0 109.596 174.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.63 -81.96 0.06 OUTLIER Glycine 0 CA--C 1.528 0.88 0 CA-C-O 118.585 -1.12 . . . . 0.0 111.636 173.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.2 mp -38.69 -57.6 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 126.38 1.872 . . . . 0.0 110.565 -177.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -31.14 -58.17 0.23 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.983 1.713 . . . . 0.0 113.438 170.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -95.55 -4.82 44.02 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 116.952 2.204 . . . . 0.0 116.952 173.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 tmmm? -67.57 -53.77 25.5 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 106.221 -1.77 . . . . 0.0 106.221 172.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -68.82 149.73 48.62 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 105.223 -2.14 . . . . 0.0 105.223 166.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.6 m . . . . . 0 CA--C 1.528 0.101 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 -165.509 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 20.4 p80 -137.81 -175.31 4.04 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 124.017 0.927 . . . . 0.0 109.222 175.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.9 p -66.96 151.88 46.8 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 127.268 2.227 . . . . 0.0 108.599 175.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 72.1 mt -70.37 106.46 3.39 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.044 0.938 . . . . 0.0 109.996 -170.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.9 p -76.67 63.48 2.13 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.896 0.878 . . . . 0.0 112.578 -178.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.309 0.0 OUTLIER 61.12 -66.97 0.06 Allowed 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 128.286 2.634 . . . . 0.0 115.808 173.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.9 pttp -51.59 -42.98 62.31 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.634 0.774 . . . . 0.0 110.132 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -40.94 -56.78 2.16 Favored 'General case' 0 C--O 1.222 -0.387 0 C-N-CA 123.752 0.821 . . . . 0.0 111.368 170.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -61.11 -46.6 89.94 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 -170.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -62.98 -36.89 85.03 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 121.018 0.437 . . . . 0.0 110.614 179.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -68.24 -34.7 76.69 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.255 1.022 . . . . 0.0 111.38 176.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 tt -73.87 -61.08 1.97 Allowed 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 127.259 2.224 . . . . 0.0 110.453 -174.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.4 tt -46.29 -34.74 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 C-N-CA 125.579 1.551 . . . . 0.0 113.116 -169.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -58.46 -56.13 26.12 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 122.904 0.482 . . . . 0.0 111.804 176.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . 0.315 12.6 pttm -97.63 -83.14 0.4 Allowed 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 118.537 2.792 . . . . 0.0 118.537 -168.586 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . 0.252 22.1 mt-10 -57.8 -39.2 76.98 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 116.46 2.022 . . . . 0.0 116.46 -163.486 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . 0.261 0.4 OUTLIER -75.22 24.27 0.1 Allowed 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 115.376 1.621 . . . . 0.0 115.376 -175.598 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.9 m 81.68 -82.88 0.02 OUTLIER 'General case' 0 C--O 1.227 -0.109 0 C-N-CA 125.377 1.471 . . . . 0.0 110.337 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.289 11.3 tp . . . . . 0 N--CA 1.472 0.655 0 C-N-CA 130.703 3.601 . . . . 0.0 116.295 -178.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.9 mp . . . . . 0 CA--C 1.54 0.56 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 73.2 mtp -91.09 -49.49 6.37 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 168.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.492 ' C ' ' H ' ' A' ' 60' ' ' LEU . 87.5 m-20 -73.18 -6.61 46.93 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 114.922 1.452 . . . . 0.0 114.922 -172.248 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . 0.254 4.3 p-10 -70.2 32.52 0.04 OUTLIER 'General case' 0 CA--C 1.557 1.228 0 CA-C-N 119.925 1.239 . . . . 0.0 109.861 163.501 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.492 ' H ' ' C ' ' A' ' 58' ' ' ASP . 4.0 pp -57.11 -6.72 0.41 Allowed 'General case' 0 C--N 1.347 0.474 0 C-N-CA 130.739 3.616 . . . . 0.0 113.794 -170.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -47.48 -27.86 1.93 Allowed 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 163.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.6 ttm-85 -30.35 -44.85 0.06 Allowed 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 126.485 1.914 . . . . 0.0 112.555 167.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -43.75 -48.5 8.04 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 126.134 1.773 . . . . 0.0 113.898 -177.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -125.43 83.43 2.16 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 117.928 -1.034 . . . . 0.0 109.23 -175.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.1 p30 57.66 -15.57 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 117.665 2.468 . . . . 0.0 117.665 168.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . 0.25 25.3 mt-30 77.7 -9.2 1.55 Allowed 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 127.47 2.308 . . . . 0.0 113.228 178.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.13 82.63 5.28 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 104.347 -2.464 . . . . 0.0 104.347 166.703 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.7 m -94.92 138.71 20.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-O 121.366 0.603 . . . . 0.0 111.972 -171.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -98.85 -175.91 3.19 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 124.043 0.937 . . . . 0.0 108.841 176.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -52.36 -38.13 58.01 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 119.03 -0.51 . . . . 0.0 110.486 -179.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -55.2 -65.55 0.57 Allowed 'General case' 0 C--O 1.234 0.256 0 CA-C-N 118.764 0.711 . . . . 0.0 111.647 178.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -66.28 -39.98 89.78 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 118.233 -1.387 . . . . 0.0 109.0 -171.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -46.25 -60.94 2.01 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.083 0.953 . . . . 0.0 111.465 172.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 8.2 tp -71.51 -35.18 55.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 O-C-N 121.666 -0.647 . . . . 0.0 110.466 -172.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 31.0 m -60.78 -45.14 95.51 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 176.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -59.46 -55.26 36.88 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 125.138 1.375 . . . . 0.0 110.579 174.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 33.0 mt -49.88 -55.57 13.86 Favored 'General case' 0 C--O 1.225 -0.205 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 177.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.09 -53.36 43.1 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.762 -0.535 . . . . 0.0 111.762 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.03 -56.24 24.56 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -175.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 86.9 mt -63.86 -43.97 94.51 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 119.54 -0.267 . . . . 0.0 110.51 -177.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.53 -43.15 75.48 Favored 'General case' 0 CA--C 1.523 -0.096 0 CA-C-N 118.378 0.535 . . . . 0.0 110.957 178.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 3.3 ttt -55.73 -27.61 51.5 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 177.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.2 mp -83.86 -72.52 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 168.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -56.89 -44.15 82.03 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 114.849 1.425 . . . . 0.0 114.849 -167.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . 0.27 40.6 m-20 -77.23 31.79 0.15 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.028 1.331 . . . . 0.0 112.565 177.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 . . . . . 0 C--N 1.344 0.367 0 C-N-CA 130.254 3.422 . . . . 0.0 115.978 -170.458 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.57 0 N-CA-C 111.52 0.193 . . . . 0.0 111.52 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 26.2 mt -66.77 -43.78 89.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 169.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -38.72 -45.63 2.06 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 125.414 1.483 . . . . 0.0 112.868 172.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 33.6 tp -52.98 -37.25 61.17 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.954 1.377 . . . . 0.0 112.354 178.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.1 mp -64.84 -30.96 71.98 Favored 'General case' 0 CA--C 1.532 0.275 0 O-C-N 121.268 -0.895 . . . . 0.0 110.735 176.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 16.0 mt -67.08 -48.05 80.17 Favored 'Isoleucine or valine' 0 C--N 1.341 0.207 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 168.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -45.5 -50.02 10.89 Favored Glycine 0 CA--C 1.525 0.698 0 C-N-CA 124.659 1.123 . . . . 0.0 111.21 176.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 39.0 mm -68.16 -60.48 2.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 123.55 0.74 . . . . 0.0 110.175 176.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -39.13 -64.54 0.45 Allowed 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 125.261 1.424 . . . . 0.0 110.81 178.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . 0.34 1.6 m-70 -90.6 21.66 3.89 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 116.248 1.944 . . . . 0.0 116.248 178.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -59.13 -46.03 89.4 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 105.484 -2.043 . . . . 0.0 105.484 165.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -79.9 124.92 29.09 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 126.874 2.07 . . . . 0.0 108.837 169.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.5 p -47.92 -49.45 30.04 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 168.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.067 0 C-N-CA 124.494 1.045 . . . . 0.0 113.472 -175.531 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 19.6 mttp . . . . . 0 CA--C 1.534 0.338 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -144.25 -68.21 0.32 Allowed 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 118.949 0.795 . . . . 0.0 111.203 -178.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.24 -177.46 6.65 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 127.884 2.474 . . . . 0.0 109.51 -177.23 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 10.0 tp -127.18 153.42 46.09 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.673 1.189 . . . . 0.0 109.244 -172.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 99.0 p -83.97 147.87 27.21 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.228 0.611 . . . . 0.0 109.448 177.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.78 -45.66 93.52 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 107.035 -1.469 . . . . 0.0 107.035 169.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.07 -54.16 39.57 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 117.93 -1.034 . . . . 0.0 111.307 -174.016 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -75.31 -28.92 59.87 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 119.606 1.094 . . . . 0.0 110.965 -177.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 4.5 tt -58.59 -38.3 77.64 Favored 'General case' 0 C--N 1.341 0.236 0 C-N-CA 119.918 -0.713 . . . . 0.0 109.264 171.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.58 -49.35 62.28 Favored 'General case' 0 C--N 1.345 0.386 0 CA-C-N 119.485 1.038 . . . . 0.0 111.207 -176.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 25.8 mp0 -54.15 -51.94 62.7 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 119.783 1.174 . . . . 0.0 111.96 173.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 tt -47.38 -58.65 3.92 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.178 1.391 . . . . 0.0 110.311 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -68.4 -48.49 72.58 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.242 0 O-C-N 122.039 -0.413 . . . . 0.0 110.729 -179.287 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -46.2 -58.21 3.86 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.45 1.1 . . . . 0.0 111.181 -177.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 6.4 tptp -97.34 -42.62 7.68 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 -172.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -91.92 -71.22 0.65 Allowed 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 -164.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . 0.275 1.0 OUTLIER -79.42 3.17 19.26 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 -167.184 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.2 p -76.46 -107.48 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.901 1.228 . . . . 0.0 111.018 174.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 15.1 mt -94.51 -32.53 4.66 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 C-N-CA 123.868 0.867 . . . . 0.0 108.758 -177.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.732 0 N-CA-C 108.998 -1.641 . . . . 0.0 108.998 -179.113 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 . . . . . 0 CA--C 1.528 0.131 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -49.65 -15.67 0.18 Allowed 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 119.027 0.831 . . . . 0.0 112.977 169.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 7.6 tt -43.04 -22.62 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 128.679 2.792 . . . . 0.0 112.48 165.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -45.77 -28.52 1.07 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 119.796 1.18 . . . . 0.0 111.418 167.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.57 13.21 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 115.184 1.55 . . . . 0.0 115.184 171.088 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -28.46 -57.45 0.12 Allowed 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 128.302 2.641 . . . . 0.0 114.415 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . 0.406 ' HZ1' ' CD ' ' B' ' 72' ' ' GLU . 18.6 pttm -120.17 20.95 11.95 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.63 1.172 . . . . 0.0 110.326 179.617 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 7.5 t0 25.68 41.52 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 130.579 3.552 . . . . 0.0 113.268 -167.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -149.44 145.27 26.84 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 -179.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 28.59 81.67 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 127.049 2.14 . . . . 0.0 114.295 169.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 16.4 t -70.22 119.66 16.69 Favored 'Isoleucine or valine' 0 C--O 1.231 0.117 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 -178.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -92.24 169.57 10.5 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.305 0.574 . . . . 0.0 110.503 178.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -54.19 -43.84 71.05 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.809 0.844 . . . . 0.0 110.95 -178.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -59.1 -44.96 91.98 Favored 'General case' 0 N--CA 1.456 -0.158 0 O-C-N 121.953 -0.467 . . . . 0.0 110.511 179.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.406 ' CD ' ' HZ1' ' B' ' 64' ' ' LYS . 19.6 mt-10 -61.39 -60.29 3.94 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 176.377 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -39.32 -52.97 2.0 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 125.39 1.476 . . . . 0.0 112.348 176.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 5.2 tp -75.12 -16.1 15.93 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -170.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 98.6 m -55.47 -56.19 23.02 Favored 'General case' 0 C--N 1.341 0.238 0 CA-C-N 118.82 0.736 . . . . 0.0 111.78 -170.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.83 -43.95 94.69 Favored 'General case' 0 CA--C 1.521 -0.146 0 O-C-N 122.046 -0.409 . . . . 0.0 110.118 -177.363 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -43.24 -55.96 3.72 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.16 0.584 . . . . 0.0 110.005 170.423 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.99 -53.72 38.34 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 124.18 0.895 . . . . 0.0 112.659 176.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.57 -49.03 77.71 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 118.006 0.903 . . . . 0.0 111.557 -177.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 52.2 mt -73.44 -26.67 61.04 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.335 1.054 . . . . 0.0 111.593 -176.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -31.1 -66.93 0.1 Allowed 'General case' 0 C--O 1.222 -0.38 0 C-N-CA 127.152 2.181 . . . . 0.0 113.664 -172.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 51.9 mtp -72.28 -13.62 61.55 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -170.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 3.5 mp -82.09 -65.61 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 106.829 -1.545 . . . . 0.0 106.829 172.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . 0.356 0.0 OUTLIER -79.41 32.95 0.24 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.363 1.465 . . . . 0.0 113.08 -177.242 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -41.59 -36.04 0.85 Allowed 'General case' 0 C--O 1.232 0.136 0 N-CA-C 116.884 2.179 . . . . 0.0 116.884 -167.05 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 119.444 1.02 . . . . 0.0 108.604 173.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.2 mt . . . . . 0 CA--C 1.534 0.348 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.59 -47.54 29.59 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 125.689 1.614 . . . . 0.0 112.211 173.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.11 -52.36 65.69 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 118.907 1.354 . . . . 0.0 110.403 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -57.64 -44.66 85.78 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 122.451 0.3 . . . . 0.0 111.135 -179.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 36.6 mt -63.17 -44.17 99.22 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 123.941 0.896 . . . . 0.0 110.236 175.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.16 -63.91 4.89 Favored Glycine 0 CA--C 1.525 0.71 0 C-N-CA 125.061 1.315 . . . . 0.0 110.684 -179.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.1 tp -61.08 -36.65 73.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 C-N-CA 123.309 0.643 . . . . 0.0 110.863 -169.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -30.69 -66.46 0.1 Allowed 'General case' 0 C--N 1.344 0.347 0 C-N-CA 126.338 1.855 . . . . 0.0 112.504 177.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -90.52 -6.22 55.03 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 -179.251 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.18 -43.23 78.6 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 106.66 -1.608 . . . . 0.0 106.66 169.091 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 -75.85 67.52 2.26 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.632 0.773 . . . . 0.0 109.924 174.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 75.2 m . . . . . 0 CA--C 1.532 0.274 0 C-N-CA 124.1 0.96 . . . . 0.0 109.494 169.109 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.534 0.333 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -52.05 160.75 0.69 Allowed 'General case' 0 N--CA 1.44 -0.97 0 C-N-CA 125.808 1.643 . . . . 0.0 109.302 174.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 73.7 p 63.58 151.69 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 127.132 2.173 . . . . 0.0 109.105 -168.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.3 mp -109.62 58.95 0.6 Allowed 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 -166.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.3 p -65.34 71.9 0.05 OUTLIER 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 115.348 1.61 . . . . 0.0 115.348 -177.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.251 12.9 tptt 66.38 -55.12 0.4 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 128.863 2.865 . . . . 0.0 115.769 173.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.58 -10.78 58.03 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.828 1.195 . . . . 0.0 112.29 179.54 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.0 mp0 -90.64 -51.5 5.36 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 128.065 2.546 . . . . 0.0 107.375 167.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tp -50.68 -34.45 26.64 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 118.545 -0.74 . . . . 0.0 111.854 -178.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.2 pptp? -38.92 -40.99 0.7 Allowed 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.235 1.014 . . . . 0.0 113.297 171.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -64.26 -34.33 77.86 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.404 1.082 . . . . 0.0 111.372 -177.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 tt -91.01 -53.93 4.17 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 127.52 2.328 . . . . 0.0 111.231 -175.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.1 tt -61.49 -44.64 98.92 Favored 'Isoleucine or valine' 0 CA--C 1.524 -0.039 0 C-N-CA 124.842 1.257 . . . . 0.0 112.294 -169.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -65.71 -47.81 74.12 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -92.48 -94.21 0.15 Allowed 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.087 0.955 . . . . 0.0 113.268 -170.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.2 mp0 -58.03 -32.19 67.74 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 -165.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.6 mt -53.63 -32.72 52.45 Favored 'General case' 0 C--O 1.224 -0.265 0 C-N-CA 118.589 -1.244 . . . . 0.0 111.856 175.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.0 m 63.25 41.87 7.5 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 119.977 1.262 . . . . 0.0 109.835 -179.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 32.4 pt . . . . . 0 CA--C 1.532 0.267 0 C-N-CA 123.47 0.708 . . . . 0.0 112.167 -175.597 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.4 tp . . . . . 0 CA--C 1.534 0.346 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.7 mmt -91.52 -43.46 9.66 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.447 1.099 . . . . 0.0 111.807 176.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.483 ' C ' ' H ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -71.05 -9.11 57.47 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 127.64 2.376 . . . . 0.0 113.446 -174.403 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -68.51 28.98 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.372 1.069 . . . . 0.0 108.578 160.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.483 ' H ' ' C ' ' A' ' 58' ' ' ASP . 48.5 tp -37.4 -30.04 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.577 1 C-N-CA 131.705 4.002 . . . . 0.0 114.651 -167.299 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -37.67 -34.93 0.12 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.98 0.912 . . . . 0.0 110.887 165.442 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -40.85 -35.25 0.48 Allowed 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 127.557 2.343 . . . . 0.0 112.926 176.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -62.82 -34.29 77.0 Favored 'General case' 0 C--N 1.339 0.151 0 C-N-CA 122.848 0.459 . . . . 0.0 111.298 -176.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.4 mmtm 67.53 -54.91 0.48 Allowed 'General case' 0 C--N 1.34 0.195 0 C-N-CA 126.74 2.016 . . . . 0.0 114.225 176.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.411 ' CG ' ' HZ1' ' B' ' 64' ' ' LYS . 0.9 OUTLIER 53.66 61.71 2.97 Favored 'General case' 0 CA--C 1.528 0.103 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 -169.31 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . 0.424 1.5 pp0? 66.23 -44.19 0.4 Allowed 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 129.243 3.017 . . . . 0.0 115.027 -169.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.64 134.35 4.5 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 106.518 -1.66 . . . . 0.0 106.518 177.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.37 98.23 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 CA-C-O 122.419 1.104 . . . . 0.0 108.241 -171.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -75.97 172.58 12.49 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 113.982 -1.463 . . . . 0.0 109.06 170.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -48.79 -39.16 24.2 Favored 'General case' 0 C--O 1.22 -0.476 0 C-N-CA 123.32 0.648 . . . . 0.0 109.997 173.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -42.61 -74.52 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.831 1.253 . . . . 0.0 111.307 169.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -59.02 -44.14 91.66 Favored 'General case' 0 N--CA 1.455 -0.18 0 O-C-N 121.563 -0.71 . . . . 0.0 110.761 -175.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -46.47 -53.88 10.31 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.238 1.415 . . . . 0.0 111.067 174.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 7.6 tp -76.86 -39.44 30.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 O-C-N 121.684 -0.635 . . . . 0.0 110.905 -174.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 57.1 m -51.79 -53.72 36.82 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 119.409 1.004 . . . . 0.0 109.827 171.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -52.9 -54.96 27.09 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 125.237 1.415 . . . . 0.0 111.302 175.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.3 mt -52.66 -40.43 62.83 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 117.839 0.29 . . . . 0.0 111.091 174.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -62.09 -53.97 38.5 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.431 -1.068 . . . . 0.0 110.431 178.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.13 -48.43 67.9 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 124.049 0.939 . . . . 0.0 110.121 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 42.0 mt -58.79 -60.0 4.53 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 175.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -48.43 -49.35 35.56 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 125.984 1.714 . . . . 0.0 111.426 -172.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 17.0 ttt -44.89 -39.9 5.81 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 126.501 1.921 . . . . 0.0 111.702 176.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 48.0 mm -91.44 -61.13 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 C-N-CA 123.913 0.885 . . . . 0.0 110.902 -177.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -90.2 -29.33 18.3 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 116.366 1.987 . . . . 0.0 116.366 -166.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.415 HD21 ' C ' ' A' ' 85' ' ' ASN . 0.1 OUTLIER -91.55 -53.44 4.31 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-N 118.743 0.701 . . . . 0.0 110.404 -168.744 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 . . . . . 0 N--CA 1.436 -1.149 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 -166.562 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.278 0 CA-C-O 120.609 0.242 . . . . 0.0 111.357 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 58.3 mt -63.64 -40.92 90.82 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 174.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -42.89 -42.74 5.09 Favored Glycine 0 CA--C 1.523 0.572 0 C-N-CA 126.467 1.984 . . . . 0.0 113.079 171.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 61.4 tp -58.42 -55.3 36.84 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 119.151 1.476 . . . . 0.0 110.075 177.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 mp -58.86 -46.6 87.37 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 122.982 0.513 . . . . 0.0 109.635 -179.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 67.6 mt -59.2 -39.99 80.02 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 C-N-CA 122.537 0.335 . . . . 0.0 110.703 176.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.71 -66.33 2.89 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 109.226 -1.549 . . . . 0.0 109.226 174.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 25.4 mm -49.75 -44.57 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 125.358 1.463 . . . . 0.0 110.636 -178.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -36.58 -73.06 0.05 OUTLIER 'General case' 0 C--N 1.341 0.208 0 C-N-CA 124.85 1.26 . . . . 0.0 112.138 -177.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -90.37 20.71 4.29 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.65 -1.159 . . . . 0.0 112.441 -178.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -58.55 -46.9 85.89 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 168.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -78.35 59.41 2.33 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.16 0.984 . . . . 0.0 110.641 173.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 28.2 m -67.6 -15.44 63.65 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.64 -0.662 . . . . 0.0 112.264 172.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.622 0 N-CA-C 108.999 -1.641 . . . . 0.0 108.999 173.951 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? . . . . . 0 N--CA 1.45 -0.434 0 N-CA-C 105.724 -1.954 . . . . 0.0 105.724 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -133.33 35.63 3.44 Favored 'General case' 0 C--N 1.332 -0.168 0 O-C-N 121.59 -0.694 . . . . 0.0 109.62 171.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 72.7 p -136.39 141.71 43.67 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 103.453 -2.795 . . . . 0.0 103.453 167.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 28.0 mt -101.05 86.53 3.06 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.073 0.949 . . . . 0.0 110.719 -167.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.4 m -79.46 64.59 4.39 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.761 0.824 . . . . 0.0 111.951 -168.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 50.6 tttp 65.76 -53.12 0.38 Allowed 'General case' 0 C--O 1.223 -0.34 0 C-N-CA 127.158 2.183 . . . . 0.0 114.289 178.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -55.95 -62.02 1.98 Allowed 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 120.106 1.321 . . . . 0.0 109.985 -179.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -38.62 -51.45 1.64 Allowed 'General case' 0 C--O 1.226 -0.16 0 C-N-CA 125.191 1.397 . . . . 0.0 110.455 169.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 5.8 tp -62.34 -44.46 96.43 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 125.252 1.421 . . . . 0.0 111.343 -173.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 39.3 tptt -65.66 -41.48 92.48 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 178.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.91 -38.45 91.13 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 120.764 0.316 . . . . 0.0 110.827 176.459 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.2 tt -61.34 -70.11 0.2 Allowed 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 126.277 1.831 . . . . 0.0 111.1 178.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 11.3 tt -58.48 6.45 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.558 1.261 0 C-N-CA 127.567 2.347 . . . . 0.0 114.746 -168.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -93.73 -66.47 0.92 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.284 1.834 . . . . 0.0 112.312 172.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.48 32.94 1.02 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.687 1.995 . . . . 0.0 109.874 176.242 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . 0.467 ' CG ' ' H ' ' B' ' 42' ' ' LEU 0.302 0.0 OUTLIER -73.72 -115.09 0.01 OUTLIER 'General case' 0 N--CA 1.437 -1.116 0 N-CA-C 121.661 3.948 . . . . 0.0 121.661 -160.766 . . . . . . . . 4 4 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . 0.467 ' H ' ' CG ' ' B' ' 41' ' ' GLU . 11.3 mt -103.03 -61.44 1.41 Allowed 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 129.589 3.155 . . . . 0.0 111.71 -167.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 152.7 4.22 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.825 1 C-N-CA 132.196 4.198 . . . . 0.0 111.67 -171.47 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 65.8 mt -50.27 -36.26 12.91 Favored 'Isoleucine or valine' 0 C--N 1.342 0.262 0 CA-C-N 120.356 1.435 . . . . 0.0 110.968 178.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.51 0 C-N-CA 125.272 1.415 . . . . 0.0 114.588 169.925 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 N--CA 1.466 0.364 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . 0.254 3.4 p30 -45.42 -77.09 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.951 0.901 . . . . 0.0 112.457 -168.139 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -93.09 -58.12 2.42 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 124.925 1.29 . . . . 0.0 110.264 -174.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.02 -30.92 2.91 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 126.457 1.903 . . . . 0.0 113.871 -164.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . 0.287 0.0 OUTLIER -75.05 16.71 0.28 Allowed 'General case' 0 CA--C 1.558 1.269 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 173.441 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -53.58 -58.91 5.47 Favored 'General case' 0 C--O 1.225 -0.203 0 C-N-CA 128.425 2.69 . . . . 0.0 114.718 -171.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . 0.411 ' HZ1' ' CG ' ' A' ' 65' ' ' ASP 0.28 12.2 pttt 70.41 -56.89 0.59 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.248 1.419 . . . . 0.0 113.834 -171.65 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . 0.301 2.7 p30 -90.54 -97.02 0.11 Allowed 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 -171.466 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.54 -157.68 0.84 Allowed 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 120.241 1.382 . . . . 0.0 110.654 -169.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.6 144.16 27.51 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 118.995 0.816 . . . . 0.0 110.617 -173.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 15.7 t -75.94 75.74 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-O 123.126 1.441 . . . . 0.0 111.078 -167.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -83.9 -177.35 6.65 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 126.744 2.018 . . . . 0.0 109.244 169.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -52.98 -43.94 66.81 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.093 0.557 . . . . 0.0 112.447 -172.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.6 -31.72 73.06 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 118.751 0.705 . . . . 0.0 111.315 -177.56 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.88 -46.33 21.66 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 -176.471 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -49.35 -53.1 24.01 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 168.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 11.6 mm -54.54 -44.88 70.35 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-O 118.624 -0.703 . . . . 0.0 111.111 176.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 62.0 m -45.72 -51.36 12.63 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 119.215 0.916 . . . . 0.0 112.444 -178.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . 0.256 6.2 p90 -64.8 -39.68 93.99 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 117.332 -1.747 . . . . 0.0 112.425 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 6.3 mp -55.12 -56.31 21.33 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 118.991 0.814 . . . . 0.0 109.641 172.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -49.16 -56.21 10.84 Favored Glycine 0 CA--C 1.526 0.751 0 C-N-CA 124.132 0.872 . . . . 0.0 112.059 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.34 -53.66 53.79 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 122.907 0.483 . . . . 0.0 111.394 -178.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 79.4 mt -76.09 -35.35 59.39 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.923 -0.485 . . . . 0.0 111.581 -169.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.91 -42.63 68.95 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 118.681 0.673 . . . . 0.0 111.442 -178.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 64.9 mtp -51.94 -29.92 22.41 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.56 1.144 . . . . 0.0 111.876 175.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 43.8 mt -91.0 -57.04 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 C-N-CA 123.585 0.754 . . . . 0.0 109.516 178.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -81.38 -39.85 24.39 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 115.024 1.49 . . . . 0.0 115.024 -167.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -86.38 -39.1 16.75 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -167.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.327 -0.37 0 N-CA-C 104.535 -2.394 . . . . 0.0 104.535 -170.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.7 mp . . . . . 0 CA--C 1.533 0.314 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.02 -51.28 30.51 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 172.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.3 mp -56.08 -56.87 15.56 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-O 118.962 -0.542 . . . . 0.0 109.561 175.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.4 mt -52.7 -47.25 67.39 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 119.366 0.984 . . . . 0.0 112.161 -176.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.9 mt -60.95 -51.22 75.72 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 123.732 0.813 . . . . 0.0 109.996 176.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.31 -41.31 96.81 Favored Glycine 0 CA--C 1.53 1.029 0 C-N-CA 123.288 0.47 . . . . 0.0 112.088 -178.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.5 mm -78.87 -42.81 24.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 C-N-CA 126.843 2.057 . . . . 0.0 110.615 -171.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -29.15 -69.12 0.06 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.223 1.809 . . . . 0.0 113.664 -173.675 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -90.67 -2.09 57.85 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 125.574 1.549 . . . . 0.0 112.655 -174.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.09 -36.09 74.53 Favored 'General case' 0 N--CA 1.456 -0.142 0 O-C-N 121.516 -0.74 . . . . 0.0 111.267 -172.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -66.44 -15.96 63.74 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.0 m . . . . . 0 CA--C 1.533 0.319 0 CA-C-N 118.747 0.703 . . . . 0.0 111.53 169.524 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm . . . . . 0 CA--C 1.531 0.217 0 CA-C-O 121.706 0.765 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.0 p80 -79.93 57.48 2.62 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.605 1.162 . . . . 0.0 108.817 174.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -177.84 147.17 0.46 Allowed 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 128.285 2.634 . . . . 0.0 104.037 -169.252 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.65 142.67 34.93 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 119.415 1.007 . . . . 0.0 110.375 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.2 t -92.9 -168.57 1.97 Allowed 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 122.745 1.259 . . . . 0.0 111.131 -177.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -51.32 68.18 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 127.128 2.171 . . . . 0.0 112.96 -171.295 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -64.78 -41.47 95.83 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.93 -0.481 . . . . 0.0 110.208 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -56.21 -51.9 66.38 Favored 'General case' 0 C--O 1.223 -0.337 0 C-N-CA 122.85 0.46 . . . . 0.0 109.918 170.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.6 tt -57.05 -45.49 83.15 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 118.75 0.705 . . . . 0.0 110.254 -177.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -35.61 60.36 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.65 0.78 . . . . 0.0 111.286 172.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -76.27 -36.17 58.55 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.089 0.556 . . . . 0.0 111.277 176.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.7 tt -59.61 -75.81 0.05 Allowed 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 125.957 1.703 . . . . 0.0 109.094 -179.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.1 pt -52.34 -2.73 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 C-N-CA 127.523 2.329 . . . . 0.0 117.225 -167.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -94.43 -57.79 2.39 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.888 1.675 . . . . 0.0 110.159 168.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.9 mptt -81.44 32.4 0.35 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 127.503 2.321 . . . . 0.0 108.167 169.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.52 ' CG ' ' H ' ' A' ' 42' ' ' LEU . 0.4 OUTLIER -45.11 -114.21 0.0 OUTLIER 'General case' 0 N--CA 1.435 -1.18 0 N-CA-C 120.885 3.661 . . . . 0.0 120.885 -159.505 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.52 ' H ' ' CG ' ' A' ' 41' ' ' GLU . 29.5 mt -106.0 -67.74 0.91 Allowed 'General case' 0 N--CA 1.437 -1.095 0 C-N-CA 127.307 2.243 . . . . 0.0 112.555 -165.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.9 m -167.91 -24.38 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.551 1.94 . . . . 0.0 112.098 -169.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 34.4 mt . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 -170.323 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 63.9 tp . . . . . 0 CA--C 1.533 0.321 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 51.1 mtt -65.2 -41.25 94.71 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -174.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -43.12 -53.24 5.06 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.696 0.799 . . . . 0.0 112.2 -176.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -39.3 -47.98 1.78 Allowed 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 126.946 2.098 . . . . 0.0 113.443 175.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 74.5 mt -53.46 -30.51 41.2 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 126.172 1.789 . . . . 0.0 115.201 -165.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -63.15 -11.58 21.49 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 118.384 0.538 . . . . 0.0 111.697 176.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.6 21.87 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 117.115 2.265 . . . . 0.0 117.115 175.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -51.52 -37.26 48.49 Favored 'General case' 0 CA--C 1.522 -0.126 0 CA-C-N 120.26 1.391 . . . . 0.0 111.312 172.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.65 57.93 0.77 Allowed 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 123.798 0.839 . . . . 0.0 109.092 169.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -56.25 -32.49 64.55 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 123.899 0.88 . . . . 0.0 109.583 171.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.6 tp60 -68.77 70.09 0.18 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.979 1.312 . . . . 0.0 111.483 -178.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 65.2 91.4 0.08 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 126.361 1.865 . . . . 0.0 112.574 167.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 77.6 t -73.46 132.57 33.21 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 C-N-CA 125.035 1.334 . . . . 0.0 110.409 -173.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -101.16 175.08 5.71 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.3 1.44 . . . . 0.0 109.495 169.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -59.07 -45.32 91.12 Favored 'General case' 0 C--O 1.221 -0.413 0 C-N-CA 122.751 0.421 . . . . 0.0 112.119 -173.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -65.47 -50.18 66.29 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -177.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.64 -47.11 67.28 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.142 177.165 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -54.62 -55.61 27.65 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.361 1.064 . . . . 0.0 111.522 171.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 7.2 mm -54.73 -42.56 62.24 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.348 0 C-N-CA 124.62 1.168 . . . . 0.0 110.681 -176.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.5 m -33.24 -57.2 0.41 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.898 1.679 . . . . 0.0 113.196 -172.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -63.9 -43.0 97.31 Favored 'General case' 0 C--N 1.341 0.203 0 O-C-N 121.699 -0.626 . . . . 0.0 112.052 -178.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.0 mp -57.13 -40.99 78.24 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 122.561 0.345 . . . . 0.0 110.224 172.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.32 -46.83 63.29 Favored Glycine 0 CA--C 1.526 0.751 0 C-N-CA 124.429 1.014 . . . . 0.0 111.314 175.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.06 -60.99 2.69 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 117.357 0.579 . . . . 0.0 110.269 172.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 76.6 mt -51.15 -35.1 34.1 Favored 'General case' 0 CA--C 1.528 0.101 0 C-N-CA 123.921 0.888 . . . . 0.0 112.112 -173.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -41.36 -45.15 2.98 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 126.359 1.864 . . . . 0.0 111.947 177.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 66.9 mtp -55.9 -31.99 63.34 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.291 1.437 . . . . 0.0 111.522 -178.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 32.2 mm -93.73 -64.35 1.29 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 125.623 1.569 . . . . 0.0 111.733 175.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . 0.254 0.1 OUTLIER -81.44 -37.4 28.1 Favored 'General case' 0 C--N 1.343 0.295 0 N-CA-C 115.034 1.494 . . . . 0.0 115.034 -166.738 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -82.72 -52.33 6.87 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 121.744 0.783 . . . . 0.0 110.053 -170.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.439 -1.024 0 CA-C-N 113.836 -1.529 . . . . 0.0 107.752 -168.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.284 0 CA-C-O 120.636 0.255 . . . . 0.0 111.365 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 53.3 mt -59.57 -49.11 84.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 178.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -51.87 -46.9 54.68 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 124.263 0.935 . . . . 0.0 111.345 175.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 52.3 mt -63.29 -48.34 78.52 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 123.342 0.657 . . . . 0.0 110.277 177.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 75.0 mt -54.83 -48.66 72.56 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 119.43 1.014 . . . . 0.0 110.615 177.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 mm -60.87 -45.28 98.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 123.126 0.57 . . . . 0.0 110.345 177.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.04 -57.18 18.37 Favored Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -178.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -64.65 -34.11 67.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 C-N-CA 125.223 1.409 . . . . 0.0 110.073 -173.23 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -33.0 -61.89 0.27 Allowed 'General case' 0 C--N 1.342 0.271 0 C-N-CA 124.955 1.302 . . . . 0.0 113.587 178.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -91.99 -4.72 54.17 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.992 0.917 . . . . 0.0 113.364 -178.478 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 4.7 mmtm -64.78 -32.84 74.71 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 165.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 17.3 m-30 -73.67 102.33 3.9 Favored 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 105.327 -2.101 . . . . 0.0 105.327 165.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 66.1 m 121.76 -4.18 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 131.613 3.965 . . . . 0.0 110.857 -168.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.657 0 C-N-CA 126.009 1.766 . . . . 0.0 111.132 -179.666 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 4.6 mmmp? . . . . . 0 N--CA 1.449 -0.478 0 CA-C-O 121.619 0.723 . . . . 0.0 111.372 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 10.4 p-80 -78.62 45.49 0.59 Allowed 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 167.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 2.4 p -156.5 164.55 38.09 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 126.358 1.863 . . . . 0.0 107.715 -167.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 26.0 mt -70.67 175.78 4.66 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 166.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 67.6 m -127.18 130.93 50.66 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 103.525 -2.768 . . . . 0.0 103.525 164.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 3.5 pttm -40.25 -48.34 2.59 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 -168.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.66 -46.5 70.62 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 121.691 -0.63 . . . . 0.0 111.187 176.601 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -61.25 -28.22 69.01 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.84 0.856 . . . . 0.0 110.662 -177.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.1 -31.6 65.43 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.49 -0.756 . . . . 0.0 109.716 173.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -58.73 -26.88 64.37 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.394 -0.816 . . . . 0.0 112.215 173.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.99 -51.87 8.05 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 119.355 0.979 . . . . 0.0 108.368 173.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 tt -41.91 -54.15 3.55 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.687 1.595 . . . . 0.0 111.054 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 20.1 tt -59.87 -33.4 52.45 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 C-N-CA 123.347 0.659 . . . . 0.0 112.572 -177.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -78.49 -52.95 7.77 Favored 'General case' 0 C--N 1.338 0.104 0 CA-C-N 118.536 0.607 . . . . 0.0 110.023 178.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . 0.414 ' NZ ' ' OE2' ' B' ' 41' ' ' GLU . 7.4 mtmp? -89.55 -80.08 0.31 Allowed 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.252 0.621 . . . . 0.0 111.063 -172.009 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . 0.414 ' OE2' ' NZ ' ' B' ' 40' ' ' LYS . 18.4 mp0 -53.49 -36.76 62.04 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.92 0.888 . . . . 0.0 113.281 -168.217 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 24.5 mt -66.95 0.61 2.39 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 176.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 3.8 m 22.47 73.98 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 127.374 2.269 . . . . 0.0 115.026 167.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . 0.311 62.3 mt 89.94 -38.79 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 125.424 1.49 . . . . 0.0 112.817 177.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.766 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 -175.622 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 16.2 t70 . . . . . 0 CA--C 1.536 0.44 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -29.48 -49.15 0.09 Allowed 'General case' 0 C--N 1.344 0.363 0 C-N-CA 126.412 1.885 . . . . 0.0 112.706 169.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 93.7 mt -53.15 -13.4 0.49 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.876 2.071 . . . . 0.0 114.085 -174.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -53.08 -18.63 2.22 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.181 0.993 . . . . 0.0 110.721 165.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.94 20.73 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 128.985 2.914 . . . . 0.0 116.871 173.537 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -61.51 -46.76 88.64 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 119.294 -2.129 . . . . 0.0 111.331 175.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.13 169.71 17.82 Favored 'General case' 0 N--CA 1.438 -1.055 0 CA-C-O 122.358 1.075 . . . . 0.0 109.867 178.153 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 25.8 t0 49.67 34.94 7.89 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 127.85 2.46 . . . . 0.0 113.094 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 71.1 mm-40 73.77 -49.12 0.68 Allowed 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 126.161 1.784 . . . . 0.0 115.286 168.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -147.65 -175.38 4.84 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.73 1.212 . . . . 0.0 109.054 174.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 22.8 t -59.68 121.85 8.42 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 C-N-CA 123.733 0.813 . . . . 0.0 110.245 -169.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -104.96 171.58 7.24 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.815 1.246 . . . . 0.0 110.076 -176.598 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -60.67 -36.32 78.43 Favored 'General case' 0 C--N 1.341 0.222 0 O-C-N 121.635 -0.666 . . . . 0.0 111.009 -171.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -52.45 -64.76 0.71 Allowed 'General case' 0 C--O 1.224 -0.254 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 172.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 31.1 mp0 -51.02 -56.88 10.31 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.784 1.234 . . . . 0.0 110.654 -177.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -43.84 -56.69 3.71 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.951 1.3 . . . . 0.0 110.847 175.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 24.7 mm -63.52 -35.84 74.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 CA-C-O 119.226 -0.416 . . . . 0.0 111.215 177.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 23.8 m -59.15 -50.32 74.48 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 108.698 -0.852 . . . . 0.0 108.698 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . 0.253 7.7 p90 -66.51 -51.31 57.98 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 117.842 -1.543 . . . . 0.0 111.916 176.025 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 39.7 mt -48.62 -42.77 35.14 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 118.373 0.533 . . . . 0.0 111.586 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -49.23 -41.24 30.78 Favored Glycine 0 CA--C 1.53 0.991 0 C-N-CA 125.35 1.452 . . . . 0.0 113.203 175.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.49 -50.54 51.52 Favored 'General case' 0 C--N 1.34 0.16 0 CA-C-N 117.991 0.895 . . . . 0.0 109.109 -177.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 4.1 mp -55.61 -40.51 72.18 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 176.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.53 8.31 0.5 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.745 1.618 . . . . 0.0 114.916 176.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 64.5 mtp -90.91 -37.36 13.59 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 164.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 25.4 mm -93.07 -65.3 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 C-N-CA 124.537 1.135 . . . . 0.0 113.831 -167.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . 0.251 0.0 OUTLIER -69.71 -12.62 61.78 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 116.561 2.06 . . . . 0.0 116.561 -165.38 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -91.66 -100.14 0.11 Allowed 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.117 1.367 . . . . 0.0 113.136 -173.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.181 0 C-N-CA 126.006 1.722 . . . . 0.0 112.117 -168.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 83.1 mt . . . . . 0 CA--C 1.53 0.204 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.37 -55.14 17.41 Favored Glycine 0 CA--C 1.524 0.616 0 C-N-CA 124.229 0.919 . . . . 0.0 111.491 179.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 69.4 tp -60.51 -60.05 4.42 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 117.585 0.692 . . . . 0.0 109.549 -175.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.5 mt -64.16 -46.77 82.57 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.902 -170.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.3 mt -65.78 -42.78 93.07 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.13 0 CA-C-N 118.389 0.54 . . . . 0.0 109.906 177.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.68 -56.72 10.8 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 176.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.6 mm -64.93 -46.61 91.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-O 118.661 -0.685 . . . . 0.0 111.069 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -28.88 -77.56 0.02 OUTLIER 'General case' 0 C--N 1.344 0.327 0 C-N-CA 126.506 1.923 . . . . 0.0 112.94 -168.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -92.79 14.33 17.62 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 125.572 1.549 . . . . 0.0 113.017 -172.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.89 -31.23 27.41 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 118.881 0.764 . . . . 0.0 110.871 177.249 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -73.87 2.74 7.83 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -178.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.7 m . . . . . 0 CA--C 1.54 0.592 0 CA-C-N 119.452 1.023 . . . . 0.0 111.337 169.262 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -91.63 9.33 32.73 Favored 'General case' 0 CA--C 1.53 0.201 0 O-C-N 122.375 -0.203 . . . . 0.0 111.318 -173.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.5 p -145.97 152.64 39.72 Favored 'General case' 0 C--O 1.24 0.567 0 C-N-CA 126.351 1.86 . . . . 0.0 106.551 169.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.6 mp -93.42 111.91 23.69 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 169.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 17.2 m -84.5 63.8 8.07 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 123.687 0.795 . . . . 0.0 110.492 -170.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.0 mptt 66.75 -65.48 0.21 Allowed 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 127.629 2.372 . . . . 0.0 112.014 174.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? -51.63 -51.72 53.46 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.687 0.795 . . . . 0.0 110.147 -177.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -50.56 -46.5 57.69 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 123.193 0.597 . . . . 0.0 111.161 176.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 26.3 tp -71.08 -40.15 71.76 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 120.017 -0.673 . . . . 0.0 110.098 -178.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? -50.75 -45.86 59.05 Favored 'General case' 0 C--N 1.341 0.208 0 CA-C-N 118.651 0.659 . . . . 0.0 109.584 171.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -66.33 -41.82 89.06 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 121.467 0.651 . . . . 0.0 110.71 -178.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.8 tt -55.62 -66.04 0.49 Allowed 'General case' 0 N--CA 1.441 -0.906 0 CA-C-O 116.945 -1.502 . . . . 0.0 110.551 176.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 22.7 pt -60.22 13.22 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.556 1.18 0 C-N-CA 126.609 1.964 . . . . 0.0 115.497 -168.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -91.94 -71.53 0.64 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.919 1.688 . . . . 0.0 110.074 170.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.9 ptmm? -92.4 30.83 1.41 Allowed 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 128.378 2.671 . . . . 0.0 109.03 -177.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.558 ' CG ' ' H ' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -75.39 -111.97 0.01 OUTLIER 'General case' 0 N--CA 1.432 -1.33 1 N-CA-C 123.744 4.72 . . . . 0.0 123.744 -156.586 . . . . . . . . 4 4 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.558 ' H ' ' CG ' ' A' ' 41' ' ' GLU . 28.2 mt -99.67 -60.44 1.53 Allowed 'General case' 0 N--CA 1.438 -1.038 0 C-N-CA 128.805 2.842 . . . . 0.0 113.347 -164.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 35.6 p -56.36 -89.09 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.439 0 O-C-N 124.721 1.263 . . . . 0.0 113.793 -166.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.218 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.813 -167.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.5 tt . . . . . 0 C--O 1.225 -0.228 0 CA-C-O 118.879 -0.581 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -90.32 -62.46 1.46 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.542 0.737 . . . . 0.0 110.226 169.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -48.96 -46.84 44.02 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.038 0.935 . . . . 0.0 112.807 -168.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.32 17.83 2.43 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -173.475 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 80.3 mt -90.58 -65.67 0.99 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 119.399 1.0 . . . . 0.0 110.909 173.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.15 -30.75 0.1 Allowed 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 128.254 2.622 . . . . 0.0 111.252 174.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -53.19 26.11 0.0 OUTLIER 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 129.977 3.311 . . . . 0.0 115.332 167.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.42 ' ND2' ' H ' ' A' ' 65' ' ' ASP . 9.7 t30 -32.77 -64.04 0.2 Allowed 'General case' 0 C--O 1.236 0.369 0 C-N-CA 126.998 2.119 . . . . 0.0 110.774 168.062 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.33 30.59 0.32 Allowed 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.981 1.312 . . . . 0.0 111.253 -177.28 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.42 ' H ' ' ND2' ' A' ' 63' ' ' ASN . 0.7 OUTLIER -23.43 -65.94 0.04 OUTLIER 'General case' 0 C--N 1.344 0.342 0 C-N-CA 128.601 2.761 . . . . 0.0 109.616 -167.279 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -99.88 -44.34 6.09 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 110.918 -2.855 . . . . 0.0 111.782 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -159.94 165.36 32.24 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.686 1.195 . . . . 0.0 109.321 170.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.6 t -79.69 119.12 28.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 C-N-CA 124.546 1.138 . . . . 0.0 109.219 -173.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -103.6 152.1 22.15 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.511 1.124 . . . . 0.0 111.131 176.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -44.83 -50.88 10.02 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 125.943 1.697 . . . . 0.0 111.178 171.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -54.86 -38.1 67.06 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 122.675 0.39 . . . . 0.0 111.374 -176.049 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -69.13 -62.33 1.42 Allowed 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 177.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -38.33 -52.82 1.52 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 126.541 1.937 . . . . 0.0 112.219 178.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 11.4 tp -66.44 -30.78 50.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 O-C-N 121.76 -0.587 . . . . 0.0 111.837 -174.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 31.2 m -59.65 -53.43 58.13 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 121.628 0.727 . . . . 0.0 110.547 -172.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -73.27 -41.91 63.09 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.233 -172.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.4 mt -46.1 -54.15 9.06 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 168.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.82 -57.96 10.08 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 124.539 1.066 . . . . 0.0 112.266 177.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.62 -58.17 7.1 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 117.015 0.408 . . . . 0.0 110.955 178.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 41.9 mt -63.41 -32.56 74.03 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -173.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -49.34 -41.05 37.58 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.66 0.664 . . . . 0.0 111.787 175.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 89.5 mtp -55.23 -36.07 65.61 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 122.605 0.362 . . . . 0.0 111.355 177.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 43.2 mt -84.41 -56.08 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 C-N-CA 123.826 0.851 . . . . 0.0 109.169 -175.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -90.07 -21.31 22.37 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 115.35 1.611 . . . . 0.0 115.35 -168.275 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -72.13 -68.38 0.47 Allowed 'General case' 0 C--N 1.342 0.28 0 CA-C-N 120.37 1.441 . . . . 0.0 111.884 -168.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 C-N-CA 126.964 2.106 . . . . 0.0 106.332 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 48.6 mt -61.02 -37.36 77.14 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 173.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -42.3 -36.96 2.27 Favored Glycine 0 C--N 1.335 0.518 0 C-N-CA 127.309 2.385 . . . . 0.0 113.967 170.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -57.57 -50.48 72.97 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.293 1.547 . . . . 0.0 109.264 175.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 39.1 mt -70.19 -50.11 43.46 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.559 1.144 . . . . 0.0 109.949 -177.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 84.5 mt -58.43 -30.56 41.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 C-N-CA 123.99 0.916 . . . . 0.0 110.532 175.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.01 -61.75 3.87 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 109.857 -1.297 . . . . 0.0 109.857 176.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 55.0 mt -49.18 -40.45 13.5 Favored 'Isoleucine or valine' 0 C--N 1.34 0.195 0 C-N-CA 123.739 0.816 . . . . 0.0 110.65 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -32.85 -71.17 0.06 Allowed 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 125.609 1.563 . . . . 0.0 113.972 -177.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 3.8 p80 -92.96 13.49 20.48 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 123.133 0.573 . . . . 0.0 112.343 -178.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -53.43 -41.67 66.3 Favored 'General case' 0 CA--C 1.527 0.084 0 CA-C-N 119.153 0.888 . . . . 0.0 110.191 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -70.44 -9.31 56.11 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -179.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 9.5 m -78.26 -11.79 59.96 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 118.692 0.678 . . . . 0.0 110.718 168.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 C-N-CA 124.982 1.277 . . . . 0.0 111.857 -175.045 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 53.1 tttm . . . . . 0 N--CA 1.451 -0.411 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 33.2 m170 -77.75 42.01 0.36 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.3 0.64 . . . . 0.0 112.471 -175.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 57.3 p -155.28 132.85 11.19 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 126.654 1.982 . . . . 0.0 107.057 170.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 16.3 mt -98.51 152.01 20.01 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 123.088 0.555 . . . . 0.0 109.885 175.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 15.3 m -107.96 -67.35 0.97 Allowed 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 -170.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.44 -64.07 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 125.76 1.624 . . . . 0.0 109.813 -174.127 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -55.82 -34.85 65.75 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-O 121.057 0.456 . . . . 0.0 111.568 -175.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 20.3 mp0 -68.61 -47.38 66.84 Favored 'General case' 0 N--CA 1.443 -0.776 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 178.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 23.9 mt -59.9 -46.99 87.59 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.846 -179.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -46.6 -44.51 18.26 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 118.83 0.741 . . . . 0.0 111.414 -179.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -74.21 -43.56 56.69 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 178.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 tt -67.77 -56.9 7.44 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 124.043 0.937 . . . . 0.0 111.443 -175.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 6.1 pt -61.22 -58.27 8.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 C-N-CA 123.393 0.677 . . . . 0.0 111.877 -167.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -49.2 -56.75 8.3 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.523 0.729 . . . . 0.0 110.412 176.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -73.64 -62.21 1.57 Allowed 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -168.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -92.48 -31.08 15.39 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -168.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 17.5 mt -82.61 -56.3 3.94 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-N 119.388 0.995 . . . . 0.0 111.793 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 16.8 p -65.63 154.81 37.76 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 119.61 1.095 . . . . 0.0 111.678 -173.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -42.19 -59.13 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 125.058 1.343 . . . . 0.0 113.826 -177.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.099 0 N-CA-C 110.496 -1.042 . . . . 0.0 110.496 -168.992 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 16.9 t70 . . . . . 0 N--CA 1.455 -0.213 0 CA-C-O 121.121 0.486 . . . . 0.0 112.118 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -72.43 -1.28 15.1 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 119.748 -1.845 . . . . 0.0 113.035 175.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 77.8 mt -64.78 -3.55 3.44 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.109 -0.994 . . . . 0.0 110.948 168.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -46.28 -34.73 4.69 Favored 'General case' 0 C--N 1.346 0.453 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 163.483 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . 0.288 73.0 mtm-85 -77.62 22.97 0.24 Allowed 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 178.355 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -49.48 -44.43 45.94 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.291 0.95 . . . . 0.0 109.01 166.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . 0.426 ' HZ3' ' CG ' ' B' ' 65' ' ' ASP 0.343 0.0 OUTLIER 61.77 -15.23 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 118.161 2.652 . . . . 0.0 118.161 169.045 . . . . . . . . 4 4 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.426 ' CG ' ' HZ3' ' B' ' 64' ' ' LYS . 50.7 m-20 -67.59 -24.74 65.53 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 120.213 1.37 . . . . 0.0 111.487 178.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.79 166.26 24.88 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 126.295 1.838 . . . . 0.0 108.691 -177.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -72.82 142.19 48.01 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 168.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 77.6 t -69.29 104.93 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 N-CA-C 106.384 -1.71 . . . . 0.0 106.384 173.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -99.88 -173.03 2.34 Favored 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 106.6 -1.63 . . . . 0.0 106.6 175.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -61.01 -36.02 78.4 Favored 'General case' 0 C--O 1.222 -0.35 0 C-N-CA 119.36 -0.936 . . . . 0.0 110.316 -173.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.45 -61.24 2.44 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 118.126 0.421 . . . . 0.0 110.141 -176.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 27.4 mp0 -63.93 -51.25 65.28 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -178.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -44.69 -53.93 6.75 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.613 0.765 . . . . 0.0 112.061 -178.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 10.5 tp -77.68 -41.5 28.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 122.784 0.434 . . . . 0.0 110.923 -172.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 54.4 m -59.62 -46.41 89.07 Favored 'General case' 0 C--N 1.339 0.129 0 CA-C-O 121.597 0.713 . . . . 0.0 109.297 177.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -52.47 -62.17 1.82 Allowed 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 126.382 1.873 . . . . 0.0 109.408 171.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -42.47 -46.6 4.84 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-N 118.968 0.804 . . . . 0.0 111.336 173.64 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.16 -59.67 10.38 Favored Glycine 0 CA--C 1.526 0.768 0 C-N-CA 124.104 0.859 . . . . 0.0 111.517 178.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.75 -50.05 74.52 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 117.967 0.883 . . . . 0.0 110.115 -177.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 9.8 mp -49.75 -53.38 25.25 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 124.477 1.111 . . . . 0.0 109.761 174.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.49 -54.19 46.62 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.582 0.753 . . . . 0.0 110.799 -176.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 39.1 ttp -44.07 -54.68 5.3 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.086 1.354 . . . . 0.0 108.933 176.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 30.3 mm -65.58 -71.25 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 122.69 0.396 . . . . 0.0 111.082 178.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -61.28 -22.77 65.15 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 -167.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -64.45 -75.3 0.09 Allowed 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 177.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.666 -178.19 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 24.9 mm . . . . . 0 C--O 1.221 -0.409 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -51.29 -54.16 24.82 Favored Glycine 0 CA--C 1.525 0.695 0 C-N-CA 124.909 1.243 . . . . 0.0 111.562 175.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -54.28 -53.45 53.61 Favored 'General case' 0 CA--C 1.528 0.128 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 175.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.0 mt -56.55 -39.05 72.75 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 119.227 -0.416 . . . . 0.0 111.858 -178.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.5 mt -64.83 -48.16 85.5 Favored 'Isoleucine or valine' 0 C--O 1.23 0.076 0 C-N-CA 124.931 1.292 . . . . 0.0 109.223 176.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.0 -53.03 35.89 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.273 -1.131 . . . . 0.0 110.273 177.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.5 mm -57.6 -67.14 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 123.33 0.652 . . . . 0.0 109.448 176.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -29.9 -70.23 0.06 Allowed 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 126.471 1.908 . . . . 0.0 111.71 172.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . 0.283 1.1 m-70 -79.44 6.3 10.57 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 115.443 1.646 . . . . 0.0 115.443 -173.424 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.85 -22.59 65.12 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.825 1.193 . . . . 0.0 108.515 166.423 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -117.75 47.61 1.52 Allowed 'General case' 0 C--O 1.225 -0.202 0 C-N-CA 124.003 0.921 . . . . 0.0 109.424 -175.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.7 m . . . . . 0 CA--C 1.532 0.26 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -178.752 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.228 0 N-CA-C 107.324 -1.361 . . . . 0.0 107.324 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -148.21 -34.57 0.22 Allowed 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 -170.101 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 61.8 p -132.12 -153.03 0.53 Allowed 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -177.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.0 mp -117.16 86.21 2.47 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 173.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.2 t -50.64 78.91 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 126.3 1.84 . . . . 0.0 113.288 172.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.292 32.2 mttp 16.53 -55.99 0.0 OUTLIER 'General case' 0 C--N 1.341 0.225 1 C-N-CA 133.97 4.908 . . . . 0.0 118.967 -175.965 . . . . . . . . 3 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.74 -32.71 44.62 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 120.134 1.333 . . . . 0.0 110.337 169.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -49.93 -56.24 11.33 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 122.028 0.918 . . . . 0.0 110.899 167.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.08 -25.68 63.64 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.307 -176.153 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.1 mmpt? -65.33 -42.85 92.5 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 120.81 -1.181 . . . . 0.0 110.865 172.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -56.55 -33.63 66.31 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 121.959 0.885 . . . . 0.0 110.959 172.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.4 tt -72.96 -75.09 0.15 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.894 1.278 . . . . 0.0 111.209 178.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 13.7 tt -43.98 -49.21 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 C-N-CA 126.196 1.799 . . . . 0.0 113.829 -168.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -59.59 -30.38 68.62 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.159 0.583 . . . . 0.0 111.26 -173.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -92.35 -91.61 0.16 Allowed 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 125.196 1.398 . . . . 0.0 113.785 -167.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.0 pm0 -84.91 -45.62 12.06 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 117.819 2.525 . . . . 0.0 117.819 -164.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.31 20.01 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 118.46 2.763 . . . . 0.0 118.46 -164.72 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.0 t -125.22 -166.22 1.51 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.868 1.267 . . . . 0.0 108.29 173.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.3 mt . . . . . 0 C--O 1.232 0.147 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 -178.649 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.5 mt . . . . . 0 C--O 1.234 0.252 0 CA-C-O 119.063 -0.494 . . . . 0.0 112.299 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 26.1 mmt -78.08 -57.15 3.95 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 118.979 0.809 . . . . 0.0 109.192 172.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -66.6 -15.34 63.37 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 126.033 1.733 . . . . 0.0 113.739 -169.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -59.26 -5.7 0.79 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.944 0.897 . . . . 0.0 110.4 165.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 mt -26.9 -33.33 0.0 OUTLIER 'General case' 0 C--N 1.344 0.36 1 C-N-CA 132.305 4.242 . . . . 0.0 115.73 169.532 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -42.23 -31.29 0.37 Allowed 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.242 0.928 . . . . 0.0 111.27 167.44 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -36.41 -52.12 0.83 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 127.953 2.501 . . . . 0.0 112.144 169.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -29.92 -88.65 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 129.478 3.111 . . . . 0.0 116.69 -169.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.82 128.35 35.34 Favored 'General case' 0 N--CA 1.44 -0.953 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 -167.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 41.2 t0 6.85 79.34 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 129.285 3.034 . . . . 0.0 114.073 169.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 53.11 -59.76 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 129.13 2.972 . . . . 0.0 118.356 164.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.47 157.1 1.58 Allowed 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 124.478 1.111 . . . . 0.0 111.415 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.5 p -162.82 85.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-O 123.015 1.388 . . . . 0.0 110.819 178.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -83.09 173.05 12.07 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 126.16 1.784 . . . . 0.0 109.194 171.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -47.84 -52.34 19.46 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.345 1.058 . . . . 0.0 111.425 -174.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -47.67 -47.34 29.6 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.081 0.552 . . . . 0.0 111.449 177.276 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -71.31 -53.88 12.72 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 -176.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -44.01 -45.2 7.77 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.174 1.389 . . . . 0.0 111.498 175.114 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 23.0 mm -60.8 -30.15 46.65 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 CA-C-O 117.94 -1.028 . . . . 0.0 112.629 -177.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 76.1 p -55.41 -54.31 45.28 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 121.043 1.747 . . . . 0.0 111.591 -170.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 14.6 p90 -64.32 -43.44 94.67 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.236 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 20.2 mt -52.91 -49.79 65.25 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.419 0.554 . . . . 0.0 110.018 172.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -52.89 -50.06 52.11 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 124.166 0.889 . . . . 0.0 112.684 174.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.33 -56.65 19.14 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 117.7 0.75 . . . . 0.0 110.296 176.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.4 tp -54.31 -40.31 67.82 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.249 1.419 . . . . 0.0 111.069 -177.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -46.76 -49.52 19.57 Favored 'General case' 0 C--N 1.339 0.144 0 C-N-CA 124.231 1.012 . . . . 0.0 111.553 175.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 74.7 mtm -67.38 -13.65 62.21 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 118.94 -0.553 . . . . 0.0 112.37 -178.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 45.0 mt -91.06 -71.36 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 171.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . 0.254 0.0 OUTLIER -77.17 -31.37 55.42 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -168.425 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.34 23.18 4.63 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.226 1.011 . . . . 0.0 112.155 -176.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 . . . . . 0 N--CA 1.45 -0.437 0 CA-C-O 122.809 1.29 . . . . 0.0 113.62 -169.844 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.372 0 N-CA-C 111.419 0.155 . . . . 0.0 111.419 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 39.7 mm -57.88 -48.41 83.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 171.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.35 -46.52 22.24 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.301 -0.72 . . . . 0.0 111.301 170.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.43 -46.27 89.31 Favored 'General case' 0 C--O 1.224 -0.266 0 C-N-CA 124.534 1.134 . . . . 0.0 110.027 -179.235 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 47.3 mt -56.46 -44.27 80.35 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 119.298 0.954 . . . . 0.0 111.448 173.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 48.4 mt -64.43 -36.47 77.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 176.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.01 -56.59 24.32 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.541 -1.024 . . . . 0.0 110.541 172.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 95.3 mt -55.28 -39.79 53.47 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.183 0 CA-C-O 118.208 -0.901 . . . . 0.0 109.549 178.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -56.31 -77.96 0.03 OUTLIER 'General case' 0 C--N 1.341 0.224 0 CA-C-N 118.878 0.763 . . . . 0.0 109.176 168.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . 0.442 0.3 OUTLIER -73.28 2.43 7.46 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 118.485 2.772 . . . . 0.0 118.485 -168.667 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -60.68 -38.86 86.35 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 163.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -82.05 143.53 31.47 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 169.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 14.7 m 91.87 36.92 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 127.006 2.122 . . . . 0.0 106.128 -164.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.922 0 O-C-N 121.935 -0.478 . . . . 0.0 113.167 -168.645 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . 0.309 0.0 OUTLIER . . . . . 0 CA--C 1.54 0.564 0 N-CA-C 120.069 3.359 . . . . 0.0 120.069 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -70.08 -24.45 63.23 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 127.215 2.206 . . . . 0.0 110.908 167.355 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.42 162.63 16.87 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 128.03 2.532 . . . . 0.0 108.694 -169.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 10.9 mt -71.89 114.66 10.23 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 107.154 -1.425 . . . . 0.0 107.154 168.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.22 154.89 36.79 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 170.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -41.13 -57.34 2.09 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.214 1.005 . . . . 0.0 112.285 176.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.32 -29.98 66.33 Favored 'General case' 0 C--N 1.342 0.243 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 -178.35 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -69.68 -47.03 64.69 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 tt -62.18 -45.33 93.87 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 120.085 -0.646 . . . . 0.0 110.892 179.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 55.7 mmtt -52.88 -45.35 67.43 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 118.917 0.78 . . . . 0.0 110.007 176.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -71.44 -27.31 63.18 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -177.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 tt -66.9 -65.49 0.67 Allowed 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 125.897 1.679 . . . . 0.0 109.724 173.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 24.0 pt -54.92 -37.31 41.07 Favored 'Isoleucine or valine' 0 C--N 1.338 0.103 0 C-N-CA 122.969 0.508 . . . . 0.0 112.22 -168.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -66.11 -36.36 82.96 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 118.554 -0.736 . . . . 0.0 112.376 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm -93.32 -74.42 0.53 Allowed 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 115.897 1.814 . . . . 0.0 115.897 -168.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -90.72 -43.54 10.05 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 115.743 1.757 . . . . 0.0 115.743 -164.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -27.79 -70.18 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 118.088 2.625 . . . . 0.0 118.088 -165.429 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.4 154.24 18.66 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.598 1.159 . . . . 0.0 110.895 -168.021 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 31.2 pt 25.37 62.37 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 127.028 2.131 . . . . 0.0 114.57 172.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.16 0 C-N-CA 124.386 0.993 . . . . 0.0 113.848 176.573 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . 0.411 ' C ' ' H ' ' B' ' 60' ' ' LEU 0.404 0.5 OUTLIER . . . . . 0 CA--C 1.507 -0.688 0 N-CA-C 117.79 2.515 . . . . 0.0 117.79 . . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -58.8 34.75 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 130.167 3.387 . . . . 0.0 110.553 161.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.411 ' H ' ' C ' ' B' ' 58' ' ' ASP . 7.2 tt -32.2 -23.62 0.0 OUTLIER 'General case' 0 C--N 1.347 0.462 1 C-N-CA 134.644 5.177 . . . . 0.0 114.947 -172.735 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -42.2 -31.32 0.37 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.714 1.605 . . . . 0.0 110.49 164.771 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 17.1 ptt180 -41.75 -34.38 0.62 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.562 1.945 . . . . 0.0 113.959 171.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -90.89 -101.59 0.1 Allowed 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 117.496 2.406 . . . . 0.0 117.496 -166.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.79 126.81 31.44 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 -163.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . 0.316 0.2 OUTLIER 67.56 -44.61 0.48 Allowed 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 130.602 3.561 . . . . 0.0 112.376 178.49 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 125.0 -16.47 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.439 1 C-N-CA 132.585 4.354 . . . . 0.0 112.03 169.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -103.06 173.71 6.19 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 166.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 2.8 t -124.19 145.73 30.85 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.171 0 C-N-CA 123.416 0.686 . . . . 0.0 109.354 -177.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -109.73 -154.8 0.54 Allowed 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 125.426 1.49 . . . . 0.0 108.323 175.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -76.69 -39.47 51.96 Favored 'General case' 0 C--O 1.223 -0.333 0 O-C-N 121.152 -0.967 . . . . 0.0 110.506 177.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -55.09 -56.97 13.9 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 118.382 0.537 . . . . 0.0 111.803 -172.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -61.34 -51.92 66.82 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -177.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -42.39 -62.94 0.85 Allowed 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.928 1.291 . . . . 0.0 110.77 175.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 10.9 tp -70.51 -36.1 64.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 O-C-N 121.481 -0.762 . . . . 0.0 111.071 -172.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 88.5 m -56.85 -45.76 82.2 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 119.052 0.842 . . . . 0.0 109.524 173.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -64.81 -57.14 9.67 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 126.253 1.821 . . . . 0.0 111.119 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 6.6 mp -47.15 -47.2 23.72 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 118.604 0.638 . . . . 0.0 110.188 169.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.55 -53.61 34.64 Favored Glycine 0 CA--C 1.524 0.627 0 C-N-CA 125.217 1.389 . . . . 0.0 111.03 178.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.41 -51.33 69.87 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.726 0.81 . . . . 0.0 110.623 178.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 90.5 mt -61.81 -41.98 98.44 Favored 'General case' 0 CA--C 1.532 0.272 0 O-C-N 121.786 -0.571 . . . . 0.0 110.543 -178.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.96 -43.59 98.54 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.501 0.72 . . . . 0.0 110.282 174.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 21.0 ttp -51.41 -34.15 33.41 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.932 0.893 . . . . 0.0 110.04 174.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 67.4 mt -74.81 -77.27 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 169.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . 0.28 49.9 p90 -57.43 -37.18 72.37 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 115.787 1.773 . . . . 0.0 115.787 -166.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -75.74 29.56 0.11 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.899 1.28 . . . . 0.0 112.945 175.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 . . . . . 0 CA--C 1.532 0.261 0 C-N-CA 130.706 3.603 . . . . 0.0 118.56 -169.173 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 22.9 mm . . . . . 0 CA--C 1.538 0.51 0 CA-C-O 120.899 0.381 . . . . 0.0 110.169 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -51.42 -47.33 51.32 Favored Glycine 0 CA--C 1.535 1.342 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 168.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.9 mp -60.16 -39.75 87.48 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-O 117.709 -1.139 . . . . 0.0 110.993 173.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.1 mp -55.27 -50.34 69.75 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 121.143 1.792 . . . . 0.0 110.096 172.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 86.1 mt -58.1 -44.47 87.45 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 O-C-N 121.996 -0.44 . . . . 0.0 110.51 178.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.14 -65.24 3.41 Favored Glycine 0 CA--C 1.534 1.256 0 O-C-N 121.741 -0.6 . . . . 0.0 111.948 176.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.5 tt -60.13 -31.31 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 125.591 1.556 . . . . 0.0 111.771 -169.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -30.04 -73.96 0.03 OUTLIER 'General case' 0 C--N 1.344 0.369 0 C-N-CA 125.494 1.518 . . . . 0.0 111.692 176.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -90.4 20.03 4.79 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 126.522 1.929 . . . . 0.0 113.119 -178.614 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -43.51 65.39 Favored 'General case' 0 N--CA 1.461 0.118 0 N-CA-C 104.401 -2.444 . . . . 0.0 104.401 165.579 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -69.4 78.92 0.39 Allowed 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 169.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.6 m . . . . . 0 CA--C 1.536 0.409 0 C-N-CA 126.236 1.814 . . . . 0.0 109.887 -179.614 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 43.5 mmtm . . . . . 0 CA--C 1.536 0.412 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -153.91 124.45 7.09 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.279 1.032 . . . . 0.0 109.306 -169.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 p -78.1 152.27 32.96 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 125.223 1.409 . . . . 0.0 110.317 176.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.3 mt -83.44 71.84 10.27 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 121.545 -0.722 . . . . 0.0 109.163 -176.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.0 p -64.78 73.2 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.641 1.576 . . . . 0.0 114.153 -174.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.331 0.0 OUTLIER 55.6 -61.4 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 129.878 3.271 . . . . 0.0 115.58 175.612 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.1 pttp -56.96 -41.09 77.68 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.187 -0.946 . . . . 0.0 109.974 175.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.6 mp0 -52.71 -51.9 58.4 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.835 -0.541 . . . . 0.0 111.215 170.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.7 mt -59.61 -44.95 93.26 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 118.358 0.526 . . . . 0.0 111.111 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.27 -51.3 45.99 Favored 'General case' 0 C--N 1.34 0.181 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 171.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -65.89 -32.33 73.78 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -175.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.2 tt -62.09 -77.4 0.05 OUTLIER 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 126.062 1.745 . . . . 0.0 109.546 176.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.2 pt -53.42 -0.48 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.553 1.081 0 N-CA-C 116.865 2.172 . . . . 0.0 116.865 -166.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -90.57 -59.85 2.07 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 120.763 1.619 . . . . 0.0 108.199 168.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.2 mttp -78.5 32.19 0.19 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 129.847 3.259 . . . . 0.0 107.558 169.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -27.88 -108.12 0.0 OUTLIER 'General case' 0 N--CA 1.425 -1.712 1 C-N-CA 131.711 4.005 . . . . 0.0 118.915 -158.553 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . 0.376 7.6 mt -98.41 -97.03 0.22 Allowed 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 113.928 -1.487 . . . . 0.0 114.129 -162.378 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.0 m -157.37 156.35 32.13 Favored 'General case' 0 N--CA 1.463 0.198 0 O-C-N 121.068 -1.02 . . . . 0.0 110.304 -177.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.1 pt . . . . . 0 N--CA 1.454 -0.253 0 C-N-CA 124.069 0.948 . . . . 0.0 110.193 169.921 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 63.2 tp . . . . . 0 CA--C 1.532 0.273 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.5 tpt -58.43 -47.92 82.38 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 122.966 0.506 . . . . 0.0 110.346 -177.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -42.91 -43.27 4.03 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 125.718 1.607 . . . . 0.0 111.875 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -62.55 3.85 0.18 Allowed 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -178.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 pp -84.36 -32.69 24.1 Favored 'General case' 0 CA--C 1.528 0.116 0 O-C-N 119.889 -1.757 . . . . 0.0 109.943 169.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -49.44 -37.85 27.25 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 125.083 1.353 . . . . 0.0 111.365 -170.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 31.3 ptt85 -53.38 -19.9 3.93 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 178.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -29.96 -49.74 0.11 Allowed 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 126.906 2.082 . . . . 0.0 115.603 -174.108 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.03 103.16 1.11 Allowed 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 -176.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.299 3.3 p30 68.18 -36.44 0.31 Allowed 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 128.535 2.734 . . . . 0.0 115.41 173.054 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 67.61 20.67 9.59 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.986 1.714 . . . . 0.0 112.901 -177.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -107.79 42.87 1.27 Allowed 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 105.972 -1.862 . . . . 0.0 105.972 167.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.4 m -62.46 158.16 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -167.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -115.48 -159.5 0.71 Allowed 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 124.982 1.313 . . . . 0.0 108.224 175.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -64.31 -31.92 73.31 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 118.886 -0.578 . . . . 0.0 111.437 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . 0.251 0.0 OUTLIER -62.65 -52.97 61.23 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 119.628 1.104 . . . . 0.0 113.582 -172.102 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.0 mp0 -60.54 -57.22 13.66 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 122.375 1.083 . . . . 0.0 108.632 -178.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -38.63 -60.39 0.82 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 126.049 1.74 . . . . 0.0 111.262 173.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 7.3 tp -72.87 -23.25 20.33 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.203 0 CA-C-O 118.634 -0.698 . . . . 0.0 112.025 -175.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 88.3 m -59.34 -56.31 23.7 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 119.884 1.22 . . . . 0.0 109.582 171.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -68.98 -46.12 68.89 Favored 'General case' 0 N--CA 1.458 -0.071 0 C-N-CA 120.359 -0.536 . . . . 0.0 111.743 -178.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.5 mt -56.69 -34.11 67.1 Favored 'General case' 0 C--O 1.224 -0.252 0 O-C-N 121.293 -0.879 . . . . 0.0 110.983 173.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.61 -47.56 82.43 Favored Glycine 0 CA--C 1.525 0.719 0 C-N-CA 124.167 0.889 . . . . 0.0 111.4 174.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.62 -49.52 64.95 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 117.699 0.749 . . . . 0.0 109.717 172.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 25.3 tp -64.05 -37.14 86.35 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 122.932 0.493 . . . . 0.0 111.57 179.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -48.33 -50.9 28.5 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 126.219 1.808 . . . . 0.0 112.302 -172.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 89.6 mtp -47.83 -34.0 8.12 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 125.658 1.849 . . . . 0.0 111.404 176.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 27.7 mm -90.96 -64.22 1.23 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 C-N-CA 124.488 1.115 . . . . 0.0 110.61 179.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . 0.272 0.2 OUTLIER -78.67 -44.49 23.57 Favored 'General case' 0 C--N 1.341 0.235 0 N-CA-C 115.704 1.742 . . . . 0.0 115.704 -166.928 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . 0.286 0.4 OUTLIER -92.12 -43.68 9.24 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 120.277 1.399 . . . . 0.0 113.323 -171.921 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 . . . . . 0 N--CA 1.448 -0.537 0 C-N-CA 123.182 0.593 . . . . 0.0 110.038 -174.165 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.197 0 CA-C-O 120.433 0.159 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 28.8 mm -62.13 -40.7 88.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 O-C-N 121.628 -0.67 . . . . 0.0 109.926 178.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.64 -44.07 16.45 Favored Glycine 0 CA--C 1.524 0.637 0 C-N-CA 125.568 1.556 . . . . 0.0 111.64 170.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.23 -62.66 1.52 Allowed 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 118.783 1.292 . . . . 0.0 108.651 175.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -54.65 -61.21 2.46 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.101 0.41 . . . . 0.0 111.15 -174.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 18.4 mt -69.59 -41.64 80.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 122.785 0.434 . . . . 0.0 110.77 -173.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.09 -63.23 3.93 Favored Glycine 0 CA--C 1.522 0.476 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -177.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 4.9 tp -54.68 -35.53 32.99 Favored 'Isoleucine or valine' 0 C--N 1.341 0.224 0 CA-C-O 119.083 -0.484 . . . . 0.0 110.636 -169.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -30.3 -69.92 0.06 Allowed 'General case' 0 C--N 1.343 0.311 0 C-N-CA 125.676 1.59 . . . . 0.0 112.129 175.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -92.07 0.79 57.47 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.13 -42.9 70.02 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 120.23 1.377 . . . . 0.0 110.598 -178.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -70.54 -4.63 23.97 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -178.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 68.2 m -78.98 -6.81 57.22 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 118.854 0.752 . . . . 0.0 110.378 166.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.803 0 N-CA-C 108.127 -1.989 . . . . 0.0 108.127 -175.968 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 122.397 1.094 . . . . 0.0 111.671 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -77.69 2.56 16.44 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.108 1.363 . . . . 0.0 111.058 168.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 21.8 p -137.28 150.17 47.61 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 125.344 1.457 . . . . 0.0 108.903 177.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 10.4 mp -113.92 113.51 24.95 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 124.749 1.219 . . . . 0.0 107.731 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 40.8 p -79.75 58.21 2.74 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.432 1.093 . . . . 0.0 110.69 -177.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . 0.334 4.2 ptpp? 59.1 -42.87 0.07 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 130.045 3.338 . . . . 0.0 117.386 174.605 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -60.2 -45.12 94.24 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 120.541 -1.349 . . . . 0.0 109.796 178.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -57.92 -48.29 80.34 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 124.941 1.296 . . . . 0.0 109.445 175.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 13.1 tp -55.22 -51.83 65.3 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 176.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.84 -37.92 45.93 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 122.975 0.51 . . . . 0.0 110.284 178.402 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -73.48 -40.71 63.91 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 177.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.6 tt -57.68 -67.78 0.3 Allowed 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 126.246 1.818 . . . . 0.0 110.822 178.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 26.7 pt -57.78 6.52 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.553 1.072 0 C-N-CA 126.744 2.017 . . . . 0.0 116.406 -167.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -92.81 -68.6 0.79 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 127.555 2.342 . . . . 0.0 111.93 169.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.14 33.61 0.96 Allowed 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 129.961 3.304 . . . . 0.0 109.106 178.387 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . 0.41 ' CG ' ' H ' ' B' ' 42' ' ' LEU . 0.1 OUTLIER -69.82 -111.42 0.0 OUTLIER 'General case' 0 N--CA 1.435 -1.212 1 N-CA-C 122.757 4.354 . . . . 0.0 122.757 -160.351 . . . . . . . . 4 4 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . 0.41 ' H ' ' CG ' ' B' ' 41' ' ' GLU . 47.4 mt -101.26 -60.36 1.54 Allowed 'General case' 0 N--CA 1.445 -0.725 0 C-N-CA 127.445 2.298 . . . . 0.0 114.09 -164.395 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 18.9 p -52.62 71.62 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 129.254 3.022 . . . . 0.0 116.467 -166.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 17.9 pt -76.7 53.78 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-O 122.683 1.23 . . . . 0.0 110.242 167.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.604 0 C-N-CA 125.793 1.663 . . . . 0.0 111.858 -172.329 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 20.7 t70 . . . . . 0 CA--C 1.532 0.271 0 CA-C-O 121.252 0.548 . . . . 0.0 111.918 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -56.01 -23.76 34.9 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 113.515 0.931 . . . . 0.0 113.515 -175.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 pp -60.0 -35.25 74.65 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 120.21 -1.556 . . . . 0.0 112.816 -176.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.4 ' OD1' ' NZ ' ' B' ' 64' ' ' LYS . 11.5 t70 -85.59 -5.11 59.31 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.495 0.665 . . . . 0.0 110.638 178.535 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.91 22.07 0.05 Allowed 'General case' 0 CA--C 1.538 0.498 0 O-C-N 119.834 -1.791 . . . . 0.0 113.323 -171.065 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 26.5 t30 -31.33 -77.54 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.527 1.531 . . . . 0.0 111.653 169.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . 0.4 ' NZ ' ' OD1' ' B' ' 61' ' ' ASP . 0.0 OUTLIER 39.63 44.79 1.29 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.658 1.183 . . . . 0.0 113.191 172.736 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -71.98 -49.88 33.55 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 106.005 -1.85 . . . . 0.0 106.005 168.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -56.37 149.09 17.35 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 168.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -61.24 133.19 55.66 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 172.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 12.2 t -69.79 143.12 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 CA-C-O 122.055 0.931 . . . . 0.0 110.738 -166.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -148.18 155.53 41.5 Favored 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 127.716 2.407 . . . . 0.0 105.15 -169.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -56.53 -33.09 65.74 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 123.277 0.361 . . . . 0.0 111.156 -172.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -56.34 -61.29 2.5 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 118.786 -0.626 . . . . 0.0 111.425 176.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -70.48 -33.45 71.27 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 118.879 -1.128 . . . . 0.0 110.301 -176.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -57.51 -54.18 49.75 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.299 0.639 . . . . 0.0 111.959 176.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 8.3 tp -68.11 -24.29 29.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -167.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 23.5 m -49.03 -54.31 16.35 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 119.623 1.102 . . . . 0.0 112.617 -176.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -62.07 -50.39 72.17 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 120.006 -0.678 . . . . 0.0 110.661 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 31.0 mt -51.13 -35.61 36.45 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.691 0.796 . . . . 0.0 111.699 177.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -61.25 -47.92 88.36 Favored Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 111.5 -0.64 . . . . 0.0 111.5 176.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.35 -53.62 49.75 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 174.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 21.0 tp -52.01 -41.13 61.98 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.47 1.108 . . . . 0.0 111.465 -176.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -48.77 -43.79 38.15 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 125.231 1.412 . . . . 0.0 112.025 177.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 80.1 mtp -65.7 -18.17 65.14 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.123 0.569 . . . . 0.0 111.194 -179.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 36.0 mt -92.51 -67.68 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 C-N-CA 124.254 1.022 . . . . 0.0 110.64 170.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -90.84 -17.78 25.97 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 118.151 2.649 . . . . 0.0 118.151 -165.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -88.76 -102.43 0.09 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 120.881 1.673 . . . . 0.0 109.506 -169.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 . . . . . 0 N--CA 1.452 -0.331 0 O-C-N 121.573 -0.705 . . . . 0.0 110.635 168.516 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.1 mt . . . . . 0 CA--C 1.528 0.134 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -41.59 -46.31 4.65 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 125.453 1.501 . . . . 0.0 111.999 175.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 65.6 tp -42.39 -50.48 5.11 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 125.203 1.401 . . . . 0.0 110.977 175.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.89 -27.38 66.61 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 118.59 -0.719 . . . . 0.0 111.446 -176.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.6 mt -70.46 -44.47 77.14 Favored 'Isoleucine or valine' 0 C--N 1.34 0.187 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 169.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.39 -52.49 23.47 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 110.3 -1.12 . . . . 0.0 110.3 174.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.1 mm -58.8 -63.42 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-O 118.373 -0.822 . . . . 0.0 109.845 176.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -32.35 -68.36 0.1 Allowed 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 125.643 1.577 . . . . 0.0 109.693 174.444 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . 0.273 0.1 OUTLIER -88.93 10.89 19.74 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -171.245 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.9 ttmt -62.67 -43.82 97.83 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 104.606 -2.368 . . . . 0.0 104.606 163.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.45 ' CZ ' ' HA ' ' A' ' 37' ' ' LEU . 63.4 m-85 -75.74 73.02 2.7 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 124.976 1.311 . . . . 0.0 109.464 177.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 39.7 m . . . . . 0 N--CA 1.455 -0.188 0 C-N-CA 124.692 1.197 . . . . 0.0 109.557 170.129 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.2 ptpp? . . . . . 0 N--CA 1.451 -0.413 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -86.87 -156.64 0.33 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 121.538 -0.726 . . . . 0.0 109.308 178.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.4 p -68.63 -168.65 0.13 Allowed 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 127.88 2.472 . . . . 0.0 109.853 174.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 92.3 mt -116.03 115.5 26.23 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 104.827 -2.286 . . . . 0.0 104.827 167.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.6 172.27 8.88 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 177.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -44.91 -52.94 8.15 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.18 0.592 . . . . 0.0 111.264 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -56.89 -57.35 12.89 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 119.193 -0.432 . . . . 0.0 110.228 -177.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -49.7 -42.33 45.5 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 119.101 -0.476 . . . . 0.0 111.648 174.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -65.99 -47.41 74.6 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 119.079 0.854 . . . . 0.0 110.213 -177.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -58.73 -44.47 90.46 Favored 'General case' 0 CA--C 1.529 0.15 0 O-C-N 120.976 -1.078 . . . . 0.0 109.338 176.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -54.72 -41.97 70.98 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 122.825 0.45 . . . . 0.0 111.141 176.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.45 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 6.2 tt -54.7 -27.62 41.86 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 125.833 1.653 . . . . 0.0 113.177 176.61 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.3 tt -63.9 -16.35 18.48 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 175.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -41.68 -85.96 0.0 OUTLIER 'General case' 0 C--N 1.345 0.38 0 C-N-CA 126.504 1.922 . . . . 0.0 111.825 176.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.7 tptp -95.18 -66.38 0.92 Allowed 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 114.781 1.4 . . . . 0.0 114.781 -167.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 48.4 mp0 -68.43 -18.82 64.52 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 -163.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.76 -16.96 59.33 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 118.425 -0.797 . . . . 0.0 111.738 171.304 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.7 m 38.73 44.95 0.86 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.84 1.656 . . . . 0.0 111.887 171.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.1 pp . . . . . 0 C--O 1.233 0.226 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -168.515 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.5 mp . . . . . 0 CA--C 1.532 0.286 0 N-CA-C 110.863 -0.051 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 57.2 mtt -58.0 -68.58 0.23 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 119.003 -0.522 . . . . 0.0 111.171 175.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.448 ' C ' ' H ' ' A' ' 60' ' ' LEU . 12.1 t70 -71.17 -16.8 62.55 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 -168.11 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.34 32.66 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 163.213 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.448 ' H ' ' C ' ' A' ' 58' ' ' ASP . 45.7 tp -52.02 -26.15 10.12 Favored 'General case' 0 C--N 1.344 0.335 0 C-N-CA 129.022 2.929 . . . . 0.0 112.686 -169.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -45.58 -30.43 1.48 Allowed 'General case' 0 C--O 1.236 0.375 0 C-N-CA 124.508 1.123 . . . . 0.0 110.998 167.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.2 ttp85 -33.51 -38.02 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.523 1.929 . . . . 0.0 112.891 167.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -38.71 -40.62 0.62 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.677 1.591 . . . . 0.0 114.503 -179.064 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -127.06 44.77 2.84 Favored 'General case' 0 CA--C 1.529 0.136 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.2 t0 40.92 55.33 3.11 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 125.219 1.408 . . . . 0.0 112.579 -170.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 74.35 -24.68 0.21 Allowed 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 116.554 2.057 . . . . 0.0 116.554 163.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.72 114.76 5.24 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 167.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 t -122.23 143.91 33.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 C-N-CA 124.433 1.093 . . . . 0.0 113.346 -167.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -106.25 175.07 5.62 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.452 1.501 . . . . 0.0 110.774 168.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -50.0 -52.24 35.49 Favored 'General case' 0 C--N 1.344 0.329 0 C-N-CA 122.791 0.436 . . . . 0.0 110.769 -178.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.1 tm0? -55.72 -52.1 65.07 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 -173.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -57.76 -56.0 27.6 Favored 'General case' 0 C--O 1.233 0.195 0 O-C-N 122.074 -0.391 . . . . 0.0 111.521 177.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -44.5 -57.83 3.35 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 123.994 0.918 . . . . 0.0 109.255 178.203 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.5 tp -75.03 -24.93 18.08 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.998 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.569 -170.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 93.7 m -63.71 -44.17 94.41 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 119.609 1.095 . . . . 0.0 109.403 169.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.18 -49.9 75.43 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 119.115 -0.469 . . . . 0.0 110.603 178.14 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.8 mp -56.31 -51.6 67.62 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 119.845 -0.742 . . . . 0.0 109.656 168.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -40.23 -51.49 3.58 Favored Glycine 0 C--N 1.336 0.528 0 C-N-CA 128.055 2.741 . . . . 0.0 112.851 -178.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.84 -37.36 68.6 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 117.477 0.638 . . . . 0.0 112.015 -177.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 73.7 mt -90.81 -25.02 20.13 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.806 0.842 . . . . 0.0 111.724 179.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -37.18 -59.3 0.74 Allowed 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 126.757 2.023 . . . . 0.0 114.688 -167.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 2.6 mtp -67.21 -14.61 63.07 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 119.913 -0.715 . . . . 0.0 112.783 -172.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 42.7 mm -91.33 -67.81 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 C-N-CA 124.399 1.08 . . . . 0.0 109.803 169.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.409 ' O ' ' CG ' ' A' ' 84' ' ' TYR 0.27 0.0 OUTLIER -78.32 30.89 0.18 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.088 1.755 . . . . 0.0 114.211 -168.876 . . . . . . . . 4 4 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -20.09 -4.32 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.752 2 N-CA-C 125.31 5.3 . . . . 0.0 125.31 -160.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 . . . . . 0 CA--C 1.537 0.469 0 CA-C-N 123.43 2.832 . . . . 0.0 106.367 164.983 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.449 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 5.1 mm -51.43 -51.71 23.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 171.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.71 -55.35 9.72 Favored Glycine 0 CA--C 1.529 0.957 0 C-N-CA 123.852 0.739 . . . . 0.0 111.561 170.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 85.7 mt -55.84 -44.8 78.33 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.324 1.062 . . . . 0.0 112.52 -177.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.32 -31.02 63.75 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 119.781 1.173 . . . . 0.0 112.228 -169.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 4.3 tt -77.51 -37.82 25.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 118.862 0.755 . . . . 0.0 109.702 168.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -44.15 -66.13 1.43 Allowed Glycine 0 CA--C 1.528 0.847 0 C-N-CA 125.661 1.6 . . . . 0.0 111.183 173.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 87.2 mt -54.06 -63.3 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 125.602 1.561 . . . . 0.0 109.16 178.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . 0.504 ' CE1' ' CE1' ' B' ' 17' ' ' HIS . 15.4 t80 -29.79 -53.79 0.15 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.654 1.982 . . . . 0.0 113.188 172.188 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . 0.504 ' CE1' ' CE1' ' B' ' 16' ' ' PHE . 1.3 m-70 -84.3 -47.2 11.0 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 119.716 1.144 . . . . 0.0 113.56 178.332 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -52.96 -30.23 33.56 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 124.757 1.223 . . . . 0.0 112.041 -179.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -60.26 -32.87 71.57 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 118.125 -0.94 . . . . 0.0 111.706 177.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 72.1 m -79.55 22.27 0.46 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.744 0.818 . . . . 0.0 112.576 170.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.154 0 N-CA-C 110.176 -1.17 . . . . 0.0 110.176 168.863 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 1.3 ptpp? . . . . . 0 N--CA 1.447 -0.594 0 CA-C-O 119.739 -0.172 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -104.65 -21.25 13.43 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.927 0.891 . . . . 0.0 111.1 -177.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -131.38 -177.23 4.31 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 126.339 1.855 . . . . 0.0 110.257 -178.623 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -116.43 124.44 50.01 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 106.118 -1.808 . . . . 0.0 106.118 169.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 69.4 m -80.61 70.27 7.29 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 124.891 1.276 . . . . 0.0 114.346 -166.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . 0.261 0.0 OUTLIER 27.62 -68.97 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 129.119 2.968 . . . . 0.0 116.87 168.445 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -50.51 -43.42 55.78 Favored 'General case' 0 N--CA 1.455 -0.189 0 O-C-N 120.784 -1.198 . . . . 0.0 110.15 174.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -66.29 -26.47 67.34 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 122.018 -0.426 . . . . 0.0 111.731 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -56.91 -35.56 69.15 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 171.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 46.2 mttm -68.0 -22.77 64.98 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 122.797 0.439 . . . . 0.0 111.437 179.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -76.1 -57.96 3.56 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 169.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -47.14 -49.09 22.9 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 127.226 2.21 . . . . 0.0 110.868 -173.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 3.2 tt -59.43 -51.97 66.4 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.15 0 C-N-CA 123.444 0.698 . . . . 0.0 111.29 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -65.02 -41.88 94.89 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -174.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -90.9 -97.64 0.11 Allowed 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 123.04 0.536 . . . . 0.0 111.738 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 27.7 mp0 -47.41 -41.91 21.05 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 126.446 1.899 . . . . 0.0 114.464 -167.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 21.0 mt -69.9 28.05 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 116.0 1.852 . . . . 0.0 116.0 -174.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 2.2 m 89.18 -19.56 0.18 Allowed 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 124.438 1.095 . . . . 0.0 112.401 169.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 18.3 mt -58.85 -44.06 89.72 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 168.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.93 0 C-N-CA 123.919 0.771 . . . . 0.0 111.537 177.414 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . 0.456 ' C ' ' H ' ' B' ' 60' ' ' LEU . 2.5 m-20 . . . . . 0 N--CA 1.469 0.524 0 N-CA-C 115.687 1.736 . . . . 0.0 115.687 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -66.55 29.68 0.02 OUTLIER 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 129.028 2.931 . . . . 0.0 109.274 162.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.456 ' H ' ' C ' ' B' ' 58' ' ' ASP . 46.6 tp -47.38 -18.68 0.12 Allowed 'General case' 0 C--N 1.345 0.395 1 C-N-CA 133.245 4.618 . . . . 0.0 113.658 -168.052 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -46.8 -28.1 1.43 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 121.201 0.524 . . . . 0.0 111.066 167.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -62.29 5.15 0.11 Allowed 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 115.637 1.717 . . . . 0.0 115.637 173.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -62.99 25.28 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 116.467 2.025 . . . . 0.0 116.467 -172.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 73.67 -60.2 0.54 Allowed 'General case' 0 C--O 1.234 0.245 0 C-N-CA 126.673 1.989 . . . . 0.0 110.641 -177.696 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -78.47 59.9 2.5 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 125.474 1.509 . . . . 0.0 108.781 178.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -66.52 -175.02 0.34 Allowed 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 126.886 2.074 . . . . 0.0 111.172 178.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 62.06 55.67 2.45 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 104.689 -2.337 . . . . 0.0 104.689 -167.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 11.7 m -59.8 143.07 14.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-N 114.672 -1.149 . . . . 0.0 113.855 -166.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -88.27 166.67 14.16 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.436 1.094 . . . . 0.0 109.492 171.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -47.68 -38.17 14.5 Favored 'General case' 0 C--O 1.222 -0.358 0 C-N-CA 123.627 0.771 . . . . 0.0 111.217 171.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -44.71 -57.26 3.8 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.614 0.765 . . . . 0.0 111.127 169.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.31 -47.09 68.51 Favored 'General case' 0 CA--C 1.531 0.212 0 O-C-N 120.874 -1.141 . . . . 0.0 109.529 -175.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -47.02 -52.78 14.04 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.757 0.823 . . . . 0.0 111.318 176.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 10.4 tp -71.32 -40.98 74.12 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 O-C-N 122.231 -0.293 . . . . 0.0 110.68 -171.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 34.3 p -66.59 -46.91 74.41 Favored 'General case' 0 CA--C 1.51 -0.568 0 O-C-N 121.517 -0.739 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -48.86 -53.92 17.41 Favored 'General case' 0 N--CA 1.44 -0.927 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.695 168.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 5.3 mt -54.98 -38.58 68.01 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 118.248 0.477 . . . . 0.0 112.158 174.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.81 -51.04 61.42 Favored Glycine 0 CA--C 1.527 0.842 0 O-C-N 121.768 -0.582 . . . . 0.0 112.063 173.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.29 -50.35 71.65 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 122.752 0.421 . . . . 0.0 110.302 175.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 73.0 mt -52.13 -50.71 61.17 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-O 119.16 -0.448 . . . . 0.0 110.353 174.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.61 -55.74 26.28 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.326 0.651 . . . . 0.0 110.377 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 37.5 mmm -48.34 -37.31 16.32 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.073 0.549 . . . . 0.0 111.375 175.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 73.2 mt -78.39 -80.31 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 C-N-CA 123.112 0.565 . . . . 0.0 111.372 175.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . 0.282 0.0 OUTLIER -69.55 -21.54 63.62 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 120.808 -1.182 . . . . 0.0 114.11 -168.599 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.37 24.22 4.04 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.049 1.34 . . . . 0.0 111.005 172.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.538 0.505 0 C-N-CA 130.119 3.368 . . . . 0.0 117.22 -173.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 61.3 mt . . . . . 0 C--O 1.234 0.289 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.67 -45.77 92.94 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.544 -1.023 . . . . 0.0 110.544 178.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 80.9 mt -57.98 -53.35 59.2 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-O 117.869 -1.062 . . . . 0.0 111.541 -177.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -49.59 -51.07 39.85 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 120.977 1.717 . . . . 0.0 110.848 178.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 86.5 mt -57.06 -54.28 32.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 CA-C-N 118.617 0.644 . . . . 0.0 111.415 175.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.83 -58.74 12.94 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 -176.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 75.0 mt -47.27 -58.97 0.77 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.513 0 C-N-CA 126.363 1.865 . . . . 0.0 108.794 173.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -40.91 -60.54 1.16 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.382 1.073 . . . . 0.0 111.854 173.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -70.1 -35.59 74.26 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 120.955 -1.091 . . . . 0.0 113.137 -175.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.5 tptp -65.35 -38.79 91.17 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 121.397 -0.814 . . . . 0.0 110.75 176.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -78.77 -21.05 48.46 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 124.35 1.06 . . . . 0.0 109.232 -178.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.8 p . . . . . 0 C--N 1.34 0.179 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 163.045 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.236 0.378 0 CA-C-O 122.566 1.174 . . . . 0.0 111.044 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -133.78 179.12 6.43 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 105.11 -2.182 . . . . 0.0 105.11 167.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.8 p 56.69 106.04 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.353 1.461 . . . . 0.0 112.13 -176.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.0 tt -65.77 130.97 45.15 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 128.071 2.548 . . . . 0.0 110.484 -169.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.3 m -70.96 122.64 20.36 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 121.604 0.716 . . . . 0.0 110.108 -178.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -31.52 55.6 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.285 1.434 . . . . 0.0 114.103 -174.164 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.1 ttpp -67.03 -60.45 2.62 Favored 'General case' 0 CA--C 1.528 0.113 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 174.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -48.53 -42.31 32.86 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.888 1.275 . . . . 0.0 109.984 177.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.8 tp -47.05 -44.38 20.75 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.786 -0.571 . . . . 0.0 112.283 174.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.424 ' HZ1' ' CG ' ' A' ' 58' ' ' ASP . 48.5 tptt -62.47 -34.29 76.54 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 118.409 0.55 . . . . 0.0 110.944 -176.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 68.9 tt0 -64.49 -52.61 57.03 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 171.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 tt -48.52 -55.46 10.97 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 125.733 1.613 . . . . 0.0 111.35 -174.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.21 -45.25 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.026 0 O-C-N 122.126 -0.359 . . . . 0.0 111.1 -177.18 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -63.33 -53.47 52.16 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 119.186 -0.435 . . . . 0.0 110.617 -177.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.408 ' NZ ' ' OE2' ' A' ' 41' ' ' GLU 0.252 0.0 OUTLIER -92.02 -84.88 0.26 Allowed 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 179.139 . . . . . . . . 4 4 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.408 ' OE2' ' NZ ' ' A' ' 40' ' ' LYS . 17.4 mp0 -46.45 -45.2 18.02 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 115.878 1.807 . . . . 0.0 115.878 -168.37 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.0 mt -62.13 -16.14 50.52 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 120.25 1.386 . . . . 0.0 112.575 -179.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 15.4 m 62.18 57.73 1.95 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.963 0.801 . . . . 0.0 110.946 169.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.8 mm . . . . . 0 C--O 1.236 0.356 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 169.16 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 62.5 tp . . . . . 0 CA--C 1.53 0.211 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 28.2 ttt -72.42 -43.74 63.43 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 122.981 0.512 . . . . 0.0 111.201 -172.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.424 ' CG ' ' HZ1' ' A' ' 35' ' ' LYS . 45.8 p-10 -35.12 -52.26 0.57 Allowed 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 127.243 2.217 . . . . 0.0 114.203 -173.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -51.49 -19.87 1.62 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.113 1.365 . . . . 0.0 113.309 -176.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.5 tt -41.85 -41.34 2.37 Favored 'General case' 0 C--O 1.231 0.129 0 C-N-CA 125.6 1.56 . . . . 0.0 111.263 169.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -52.88 -45.55 67.54 Favored 'General case' 0 C--O 1.227 -0.127 0 O-C-N 122.179 -0.326 . . . . 0.0 110.793 177.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.81 23.0 3.3 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.447 0.699 . . . . 0.0 112.412 178.45 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -26.14 -85.0 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 127.028 2.131 . . . . 0.0 113.552 -169.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.45 44.65 1.14 Allowed 'General case' 0 C--O 1.233 0.225 0 CA-C-N 120.028 1.285 . . . . 0.0 112.16 -177.492 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 61.08 27.93 17.71 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 123.916 0.886 . . . . 0.0 111.094 168.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 10.0 pm0 -74.32 161.77 29.55 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 122.937 0.495 . . . . 0.0 109.761 178.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.33 95.45 6.36 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 106.507 -1.664 . . . . 0.0 106.507 177.283 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.1 t -61.51 114.61 1.34 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 C-N-CA 124.985 1.314 . . . . 0.0 111.995 -167.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -73.36 157.93 36.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 120.961 -1.087 . . . . 0.0 110.284 178.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -50.81 -35.9 34.53 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 119.065 -0.493 . . . . 0.0 109.791 170.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -52.55 -56.17 17.14 Favored 'General case' 0 C--N 1.342 0.265 0 CA-C-N 118.79 0.723 . . . . 0.0 111.692 171.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -63.24 -54.63 34.25 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 -174.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -41.54 -51.38 3.92 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.148 1.379 . . . . 0.0 110.593 170.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -64.03 -46.82 92.79 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 C-N-CA 122.756 0.423 . . . . 0.0 111.414 178.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 54.7 m -58.19 -46.79 85.16 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -175.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -56.39 -62.76 1.5 Allowed 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 125.494 1.517 . . . . 0.0 112.106 173.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.59 -37.06 70.1 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 122.41 1.1 . . . . 0.0 109.013 -177.04 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.66 -30.73 21.28 Favored Glycine 0 CA--C 1.528 0.885 0 C-N-CA 127.56 2.505 . . . . 0.0 113.738 172.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.33 -25.82 67.39 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 120.694 2.247 . . . . 0.0 112.694 175.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -89.76 1.31 56.27 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.658 0.783 . . . . 0.0 110.751 175.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -44.77 -76.02 0.03 OUTLIER 'General case' 0 CA--C 1.512 -0.502 0 C-N-CA 125.421 1.488 . . . . 0.0 113.951 -168.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 92.5 mtp -64.53 -11.74 37.39 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 119.655 -0.818 . . . . 0.0 112.725 -168.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 59.1 mt -77.75 -64.52 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 169.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . 0.356 0.0 OUTLIER -90.59 26.91 1.87 Allowed 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 114.755 1.391 . . . . 0.0 114.755 -177.67 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -28.12 -56.96 0.12 Allowed 'General case' 0 CA--C 1.52 -0.201 0 C-N-CA 127.984 2.514 . . . . 0.0 115.749 -167.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.3 pm0 . . . . . 0 C--N 1.319 -0.757 0 C-N-CA 125.731 1.612 . . . . 0.0 114.079 -178.245 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.21 0 N-CA-C 110.727 -0.101 . . . . 0.0 110.727 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 83.2 mt -53.29 -52.0 35.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 C-N-CA 123.934 0.894 . . . . 0.0 109.294 175.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.75 -46.49 13.45 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 123.852 0.739 . . . . 0.0 111.564 174.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 49.7 tp -68.0 -13.26 62.04 Favored 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 121.542 -0.975 . . . . 0.0 113.112 -175.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 mp -89.32 -71.1 0.62 Allowed 'General case' 0 N--CA 1.449 -0.517 0 O-C-N 121.136 -0.978 . . . . 0.0 108.624 167.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -89.4 -33.73 6.33 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.579 0 CA-C-N 114.408 -1.269 . . . . 0.0 112.285 -164.562 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.03 -52.13 52.2 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 108.025 -2.03 . . . . 0.0 108.025 176.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 2.6 tt -64.87 -45.48 94.76 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.453 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . 0.596 ' CE1' ' CE1' ' B' ' 17' ' ' HIS . 0.2 OUTLIER -40.01 -72.71 0.06 Allowed 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 119.503 1.047 . . . . 0.0 109.19 168.246 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . 0.596 ' CE1' ' CE1' ' B' ' 16' ' ' PHE 0.286 26.6 m-70 -82.15 20.01 1.09 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 118.472 -1.291 . . . . 0.0 112.072 -169.281 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -64.07 -43.2 96.19 Favored 'General case' 0 C--N 1.342 0.281 0 N-CA-C 104.046 -2.575 . . . . 0.0 104.046 162.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -77.62 61.36 2.34 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 125.463 1.505 . . . . 0.0 112.897 -168.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.8 p -108.19 -34.36 6.87 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 127.445 2.298 . . . . 0.0 106.911 166.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.769 0 C-N-CA 124.322 0.963 . . . . 0.0 110.967 171.745 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt . . . . . 0 CA--C 1.534 0.347 0 N-CA-C 110.755 -0.091 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -161.33 -141.89 0.07 Allowed 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.547 0.739 . . . . 0.0 109.698 178.377 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 5.2 p -52.43 158.58 1.19 Allowed 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 125.791 1.637 . . . . 0.0 110.982 171.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.2 mp -80.23 95.96 6.45 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 106.002 -1.851 . . . . 0.0 106.002 169.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 29.4 m -74.51 65.85 1.32 Allowed 'General case' 0 C--O 1.238 0.498 0 N-CA-C 114.487 1.291 . . . . 0.0 114.487 -168.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 3.1 mttm 66.54 -71.24 0.09 Allowed 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 127.037 2.135 . . . . 0.0 111.619 174.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 17.0 mtmm -56.27 -53.64 54.87 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 124.514 1.126 . . . . 0.0 108.89 -172.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 21.6 mp0 -61.88 -32.68 73.07 Favored 'General case' 0 N--CA 1.438 -1.062 0 C-N-CA 125.493 1.517 . . . . 0.0 109.748 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 12.3 tp -66.86 -46.03 76.29 Favored 'General case' 0 C--N 1.341 0.209 0 O-C-N 120.706 -1.246 . . . . 0.0 109.82 173.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 43.7 mmtt -62.96 -22.35 66.75 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 119.969 -0.693 . . . . 0.0 110.729 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -65.06 -55.72 17.24 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 166.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.2 tt -47.9 -52.16 20.45 Favored 'General case' 0 CA--C 1.513 -0.476 0 C-N-CA 125.657 1.583 . . . . 0.0 111.673 -175.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 15.4 pt -52.98 -34.24 20.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 O-C-N 123.63 0.581 . . . . 0.0 112.253 -171.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 12.2 tp-100 -64.42 -28.27 69.57 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.912 -0.492 . . . . 0.0 111.544 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -90.83 -76.24 0.44 Allowed 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 124.265 1.026 . . . . 0.0 112.616 -173.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . 0.294 12.0 pt-20 -92.59 -82.4 0.33 Allowed 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 116.915 2.191 . . . . 0.0 116.915 -167.158 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . 0.427 ' CD1' ' H ' ' B' ' 43' ' ' THR 0.448 1.7 pp -29.16 -94.93 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 118.331 2.715 . . . . 0.0 118.331 -162.781 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' THR . . . . . 0.427 ' H ' ' CD1' ' B' ' 42' ' ' LEU . 14.9 p -75.5 63.92 1.55 Allowed 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 120.351 1.432 . . . . 0.0 110.144 -174.04 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . 0.3 7.5 tt 38.35 59.3 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 CA-C-O 123.824 1.773 . . . . 0.0 110.079 -168.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.764 0 C-N-CA 127.197 2.332 . . . . 0.0 113.452 -175.821 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . 0.506 ' C ' ' H ' ' B' ' 60' ' ' LEU . 36.8 t70 . . . . . 0 N--CA 1.463 0.215 0 N-CA-C 116.022 1.86 . . . . 0.0 116.022 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -68.58 26.35 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 161.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.506 ' H ' ' C ' ' B' ' 58' ' ' ASP . 3.6 pp -64.17 -5.97 5.82 Favored 'General case' 0 C--N 1.346 0.445 0 C-N-CA 126.471 1.908 . . . . 0.0 112.681 -168.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -52.77 -24.57 9.1 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 121.965 0.888 . . . . 0.0 109.959 163.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 30.9 ttm180 -48.55 -21.19 0.53 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.973 2.109 . . . . 0.0 112.456 167.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -27.77 -54.0 0.09 Allowed 'General case' 0 C--N 1.34 0.153 0 C-N-CA 129.503 3.121 . . . . 0.0 113.386 175.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 18.4 pttm -134.71 -49.64 0.77 Allowed 'General case' 0 CA--C 1.537 0.469 0 O-C-N 123.195 0.31 . . . . 0.0 111.441 -175.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 50.2 p30 -159.47 0.09 0.08 Allowed 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 -168.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 61.63 12.56 4.63 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 -171.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -86.79 79.25 8.88 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 105.843 -1.91 . . . . 0.0 105.843 168.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 55.9 t -66.69 127.55 28.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.295 -169.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -98.78 174.47 6.38 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.832 1.253 . . . . 0.0 108.988 168.107 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -50.52 -47.52 57.46 Favored 'General case' 0 C--N 1.341 0.208 0 CA-C-O 119.3 -0.381 . . . . 0.0 111.869 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -51.73 64.6 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.255 0.55 . . . . 0.0 110.005 -175.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -60.33 -52.4 65.44 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.56 0.744 . . . . 0.0 110.145 179.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -47.89 -60.83 2.3 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 124.531 1.132 . . . . 0.0 110.413 177.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 10.3 tp -64.45 -43.1 96.93 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 -174.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 29.2 m -51.92 -59.08 4.74 Favored 'General case' 0 C--N 1.34 0.192 0 C-N-CA 122.712 0.405 . . . . 0.0 110.569 178.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -72.1 -37.47 69.53 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 119.61 -0.836 . . . . 0.0 111.553 -173.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . 0.255 0.4 OUTLIER -54.75 -34.41 62.51 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 119.502 -0.879 . . . . 0.0 111.216 171.076 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.14 -37.25 16.74 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 124.63 1.109 . . . . 0.0 114.239 169.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -41.74 -67.29 0.27 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 119.043 1.422 . . . . 0.0 114.233 -169.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 19.2 mt -90.12 5.05 48.5 Favored 'General case' 0 C--N 1.333 -0.139 0 O-C-N 122.13 -0.357 . . . . 0.0 111.861 179.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.76 -46.33 70.91 Favored 'General case' 0 CA--C 1.516 -0.344 0 C-N-CA 123.507 0.723 . . . . 0.0 110.818 -172.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 29.7 ttp -58.95 -31.29 68.57 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.648 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 27.8 mm -79.69 -57.09 5.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 C-N-CA 123.998 0.919 . . . . 0.0 108.989 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -75.72 22.57 0.14 Allowed 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 118.272 -0.871 . . . . 0.0 112.838 -176.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -16.82 -101.68 0.0 OUTLIER 'General case' 0 C--O 1.235 0.31 0 C-N-CA 126.444 1.897 . . . . 0.0 114.812 -157.182 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . 0.261 7.1 tp10 . . . . . 0 N--CA 1.45 -0.451 0 CA-C-N 120.938 1.699 . . . . 0.0 110.022 -169.21 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.4 mm . . . . . 0 CA--C 1.538 0.488 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.63 -50.46 36.53 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 169.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 88.2 mt -57.18 -44.78 83.89 Favored 'General case' 0 CA--C 1.531 0.218 0 O-C-N 121.622 -0.928 . . . . 0.0 110.729 175.743 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.6 -43.93 93.57 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.838 1.199 . . . . 0.0 111.777 177.165 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.0 mm -56.34 -43.42 77.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 172.049 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -52.62 -63.13 5.2 Favored Glycine 0 CA--C 1.528 0.877 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 173.014 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.9 mm -45.87 -49.43 4.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 C-N-CA 124.62 1.168 . . . . 0.0 110.626 -176.574 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.402 ' CZ ' ' CE1' ' A' ' 17' ' ' HIS . 35.7 t80 -53.45 -81.56 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 127.025 2.13 . . . . 0.0 110.835 169.439 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.402 ' CE1' ' CZ ' ' A' ' 16' ' ' PHE . 1.9 m-70 -72.2 5.87 2.55 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 115.723 1.749 . . . . 0.0 115.723 -169.608 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -61.89 -41.21 97.61 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 165.196 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -74.15 157.47 35.92 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.583 -178.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.404 ' HG ' ' CB ' ' A' ' 30' ' ' SER . 72.9 m . . . . . 0 CA--C 1.538 0.482 0 CA-C-O 121.474 0.654 . . . . 0.0 110.056 -169.217 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? . . . . . 0 CA--C 1.538 0.502 0 CA-C-O 119.395 -0.336 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -156.0 -111.08 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 119.328 0.967 . . . . 0.0 112.44 -166.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.3 p -95.41 144.86 25.58 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 126.485 1.914 . . . . 0.0 109.369 173.005 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.3 tt -73.92 128.36 35.32 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 126.488 1.915 . . . . 0.0 107.673 176.417 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.404 ' CB ' ' HG ' ' A' ' 20' ' ' SER . 9.0 m -77.61 68.64 3.73 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 114.549 1.315 . . . . 0.0 114.549 -168.473 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp 42.53 -74.91 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 128.25 2.62 . . . . 0.0 115.818 165.337 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -25.43 61.36 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.468 1.107 . . . . 0.0 111.283 175.066 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -73.87 -22.28 59.79 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.115 -0.991 . . . . 0.0 112.13 172.469 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.14 -33.93 77.19 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.416 -0.803 . . . . 0.0 109.416 177.607 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.6 mmtm -52.12 -50.14 62.29 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.939 -0.476 . . . . 0.0 112.107 177.531 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 23.6 mp0 -52.58 -55.93 18.84 Favored 'General case' 0 N--CA 1.451 -0.407 0 O-C-N 121.816 -0.553 . . . . 0.0 111.627 171.477 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.86 -61.93 1.71 Allowed 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 124.271 1.028 . . . . 0.0 110.416 -177.141 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.1 tp -60.29 -47.12 93.6 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 123.413 0.685 . . . . 0.0 111.584 -169.42 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -63.0 -53.01 60.66 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 178.375 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.0 mtmp? -78.51 -71.08 0.45 Allowed 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 113.809 1.041 . . . . 0.0 113.809 -168.731 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -84.45 -99.51 0.06 Allowed 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 -167.38 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . 0.305 3.3 pp -30.71 -52.4 0.17 Allowed 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 116.846 2.165 . . . . 0.0 116.846 -164.873 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.2 p -59.11 105.38 0.32 Allowed 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.068 0.547 . . . . 0.0 111.959 -168.896 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.9 pt . . . . . 0 CA--C 1.534 0.354 0 C-N-CA 124.472 1.109 . . . . 0.0 112.573 -171.506 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.0 tp . . . . . 0 CA--C 1.536 0.437 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 53.4 ttp -63.7 -60.14 3.69 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 168.537 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.422 ' C ' ' H ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -57.34 -23.75 50.86 Favored 'General case' 0 CA--C 1.52 -0.177 0 C-N-CA 126.938 2.095 . . . . 0.0 113.238 -179.728 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -63.48 9.25 0.06 Allowed 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 122.952 0.501 . . . . 0.0 111.312 167.014 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.422 ' H ' ' C ' ' A' ' 58' ' ' ASP . 1.6 tm? -37.13 -34.61 0.08 Allowed 'General case' 0 C--N 1.347 0.461 1 C-N-CA 132.282 4.233 . . . . 0.0 110.336 163.86 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -34.17 -29.43 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 127.184 2.194 . . . . 0.0 112.76 166.41 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.3 mtm105 -43.41 -21.16 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 168.305 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -28.56 -49.34 0.07 Allowed 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 127.803 2.441 . . . . 0.0 112.995 169.909 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? -130.13 67.46 1.47 Allowed 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 168.819 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.277 3.1 p-10 28.32 47.86 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 128.211 2.604 . . . . 0.0 114.189 173.792 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 55.04 30.32 14.02 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 126.328 1.851 . . . . 0.0 112.921 173.48 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.63 59.29 1.95 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.982 1.313 . . . . 0.0 107.925 175.321 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 53.1 t -84.9 132.12 32.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 N-CA-C 113.296 0.851 . . . . 0.0 113.296 -166.091 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -120.42 178.72 4.55 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 105.105 -2.183 . . . . 0.0 105.105 164.757 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -54.04 -41.27 67.9 Favored 'General case' 0 CA--C 1.53 0.207 0 O-C-N 121.301 -0.874 . . . . 0.0 111.0 -173.88 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.42 -52.44 64.64 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 119.379 -0.343 . . . . 0.0 110.487 178.434 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -64.29 -47.45 79.45 Favored 'General case' 0 CA--C 1.522 -0.125 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 -174.745 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -48.47 -61.41 2.03 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.023 0.929 . . . . 0.0 109.443 175.625 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.7 tp -68.32 -40.76 82.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-O 119.37 -0.347 . . . . 0.0 110.577 -172.655 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.5 m -49.85 -60.31 3.02 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 124.37 1.068 . . . . 0.0 109.886 173.638 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . 0.254 0.1 OUTLIER -60.56 -44.05 96.58 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.064 -177.064 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -46.61 -51.49 15.65 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 118.904 0.775 . . . . 0.0 111.075 170.551 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.59 -53.88 41.62 Favored Glycine 0 CA--C 1.525 0.719 0 C-N-CA 124.384 0.992 . . . . 0.0 111.122 -179.922 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.9 -53.28 57.51 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.055 0.542 . . . . 0.0 110.784 179.476 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.7 mp -54.94 -49.56 71.04 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.542 0.737 . . . . 0.0 110.58 177.212 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.53 -44.47 76.71 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 122.862 0.465 . . . . 0.0 110.194 178.473 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 7.8 ttt -56.9 -22.45 37.39 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 177.642 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 41.4 mm -90.81 -74.43 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 123.718 0.807 . . . . 0.0 109.876 169.266 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . 0.252 1.2 p90 -62.7 -26.76 68.83 Favored 'General case' 0 CA--C 1.536 0.426 0 O-C-N 120.938 -1.101 . . . . 0.0 113.76 -168.637 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -91.54 27.52 1.97 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.011 1.724 . . . . 0.0 111.47 174.528 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 . . . . . 0 C--N 1.345 0.395 0 C-N-CA 129.668 3.187 . . . . 0.0 116.297 -167.883 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.109 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 72.6 mt -55.7 -53.72 34.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 176.478 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.05 -51.33 25.41 Favored Glycine 0 CA--C 1.528 0.863 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 176.683 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 81.3 mt -63.0 -43.86 97.61 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 118.753 -0.641 . . . . 0.0 111.083 -179.417 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 48.5 mt -57.98 -46.65 84.84 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 120.01 1.277 . . . . 0.0 110.872 177.688 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 67.5 mt -61.74 -41.33 90.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 175.61 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.4 -61.37 7.06 Favored Glycine 0 CA--C 1.526 0.737 0 C-N-CA 124.262 0.934 . . . . 0.0 110.843 174.537 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 20.6 mm -57.26 -35.23 47.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 118.088 0.944 . . . . 0.0 110.718 -179.435 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -58.26 -82.87 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.747 0.703 . . . . 0.0 109.137 168.211 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . 0.318 0.5 OUTLIER -70.46 -5.79 31.17 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 116.53 2.048 . . . . 0.0 116.53 -168.343 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -57.42 -39.89 77.16 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 119.715 1.143 . . . . 0.0 108.555 167.435 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -83.52 58.96 4.83 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 122.347 1.07 . . . . 0.0 110.389 175.384 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.3 m -138.03 53.97 1.81 Allowed 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 104.025 -2.583 . . . . 0.0 104.025 168.65 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.586 0 N-CA-C 109.979 -1.248 . . . . 0.0 109.979 -168.211 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 9.1 pttm . . . . . 0 CA--C 1.537 0.476 0 N-CA-C 116.547 2.054 . . . . 0.0 116.547 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 6.0 p80 179.32 -45.3 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 125.185 1.394 . . . . 0.0 111.25 -175.858 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 34.6 p -137.43 152.59 49.76 Favored 'General case' 0 C--N 1.34 0.177 0 CA-C-N 118.797 0.726 . . . . 0.0 112.72 -168.765 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 27.0 mt -83.88 111.44 19.23 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 105.437 -2.06 . . . . 0.0 105.437 168.288 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 57.6 p -84.98 81.83 8.72 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -168.153 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 17.4 mttm 64.54 -77.1 0.04 OUTLIER 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 125.619 1.567 . . . . 0.0 115.022 167.881 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.56 -42.33 82.78 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 -176.36 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -53.58 -39.0 64.48 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 172.67 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -68.34 -59.25 3.33 Favored 'General case' 0 C--N 1.343 0.318 0 O-C-N 121.224 -0.923 . . . . 0.0 108.949 177.796 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . 0.477 ' HZ1' ' CG ' ' B' ' 61' ' ' ASP . 2.4 tppt? -60.85 -27.38 68.05 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.523 -0.735 . . . . 0.0 111.572 -171.918 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -54.22 -47.46 72.14 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 119.267 0.94 . . . . 0.0 111.64 168.612 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.7 tt -55.59 -63.38 1.19 Allowed 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 126.138 1.775 . . . . 0.0 110.154 -176.426 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . 0.255 1.4 pp -33.4 -46.97 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.187 0 C-N-CA 125.947 1.699 . . . . 0.0 115.442 -166.394 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -45.86 -59.3 2.89 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.368 0.667 . . . . 0.0 111.655 -179.207 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -94.5 -78.02 0.45 Allowed 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 -168.344 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -65.68 -3.72 5.21 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 116.724 2.12 . . . . 0.0 116.724 -164.249 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 76.2 mt -90.69 5.71 47.02 Favored 'General case' 0 C--O 1.225 -0.196 0 CA-C-N 119.404 1.002 . . . . 0.0 112.055 169.94 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 78.75 -34.44 0.16 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 120.711 1.596 . . . . 0.0 112.555 177.334 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 16.0 pt -53.09 -15.04 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 C-N-CA 126.464 1.906 . . . . 0.0 114.451 -176.483 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.627 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 173.975 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 . . . . . 0 CA--C 1.533 0.305 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . 0.349 18.3 m-20 -61.74 41.31 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 129.834 3.254 . . . . 0.0 113.015 164.416 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 pp -11.41 24.25 0.0 OUTLIER 'General case' 0 C--N 1.344 0.35 1 C-N-CA 139.519 7.128 . . . . 0.0 121.455 -157.504 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.477 ' CG ' ' HZ1' ' B' ' 35' ' ' LYS . 24.9 p-10 -55.35 -35.79 65.59 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 104.961 -2.237 . . . . 0.0 104.961 157.434 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 1.6 ppt_? -64.33 -5.7 5.63 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 177.933 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -59.5 -38.14 80.11 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.955 0.798 . . . . 0.0 110.74 169.34 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -143.05 72.92 1.38 Allowed 'General case' 0 C--O 1.239 0.523 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -174.176 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 28.5 t0 53.91 21.54 2.87 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 127.32 2.248 . . . . 0.0 113.078 169.807 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 49.68 24.81 1.29 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.211 1.004 . . . . 0.0 113.256 -176.402 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -90.0 74.13 7.29 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 106.202 -1.777 . . . . 0.0 106.202 169.683 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 22.3 t -77.06 112.14 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 C-N-CA 119.952 -0.699 . . . . 0.0 109.822 -168.868 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -67.51 159.6 29.36 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 126.48 1.912 . . . . 0.0 109.17 171.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -58.85 -43.31 90.74 Favored 'General case' 0 C--O 1.227 -0.127 0 O-C-N 121.626 -0.671 . . . . 0.0 109.873 177.071 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -52.24 -56.21 16.2 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-O 119.473 -0.299 . . . . 0.0 110.324 174.151 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -57.38 -51.74 68.19 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 122.903 0.481 . . . . 0.0 110.813 -178.525 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -48.49 -50.07 33.11 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 125.059 1.343 . . . . 0.0 109.934 175.677 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 22.5 mm -67.68 -42.3 86.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 CA-C-O 118.411 -0.804 . . . . 0.0 111.885 179.183 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 77.9 m -57.03 -49.93 74.29 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 120.592 1.542 . . . . 0.0 110.219 177.316 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -53.52 -58.52 6.85 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 125.641 1.576 . . . . 0.0 110.633 175.165 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 15.4 mt -51.41 -48.21 62.71 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 117.726 0.239 . . . . 0.0 110.666 175.461 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.36 -51.43 21.27 Favored Glycine 0 CA--C 1.529 0.944 0 C-N-CA 125.711 1.624 . . . . 0.0 113.534 172.623 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.01 -54.8 43.02 Favored 'General case' 0 CA--C 1.531 0.213 0 O-C-N 121.783 -0.833 . . . . 0.0 109.513 177.505 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -52.71 -38.83 61.35 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 122.488 0.315 . . . . 0.0 111.038 176.261 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.13 -41.29 81.88 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 125.766 1.626 . . . . 0.0 111.628 -178.061 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 1.4 tmm? -74.64 -21.06 59.64 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.407 -0.808 . . . . 0.0 111.225 174.267 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 86.0 mt -73.0 -71.59 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 CA-C-N 118.888 0.767 . . . . 0.0 109.923 169.932 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . 0.253 0.7 OUTLIER -74.25 26.51 0.08 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.895 1.278 . . . . 0.0 113.799 -177.996 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -50.79 -9.78 0.06 Allowed 'General case' 0 C--O 1.235 0.326 0 N-CA-C 117.796 2.517 . . . . 0.0 117.796 -167.791 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 . . . . . 0 C--N 1.327 -0.408 0 O-C-N 120.708 -1.245 . . . . 0.0 109.749 173.519 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.8 mm . . . . . 0 CA--C 1.536 0.406 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.18 -52.31 18.08 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 124.807 1.194 . . . . 0.0 112.156 170.509 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.8 mt -54.57 -53.7 51.12 Favored 'General case' 0 C--N 1.338 0.079 0 CA-C-N 118.443 1.121 . . . . 0.0 110.146 177.589 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -54.58 -46.49 73.73 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 118.176 0.444 . . . . 0.0 110.937 178.467 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.4 mt -59.74 -36.19 64.42 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.173 0 C-N-CA 124.596 1.158 . . . . 0.0 111.418 176.868 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.44 -65.98 2.4 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 110.26 -1.136 . . . . 0.0 110.26 175.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.4 mm -44.67 -41.66 2.16 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.133 0 C-N-CA 127.081 2.152 . . . . 0.0 111.148 -178.123 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -28.73 -62.36 0.11 Allowed 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.288 1.835 . . . . 0.0 113.669 176.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -92.79 9.21 36.15 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 -173.933 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.1 tptp -63.27 -44.82 94.0 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 120.095 1.316 . . . . 0.0 109.479 173.897 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -56.82 125.0 20.48 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 123.927 0.891 . . . . 0.0 108.76 -175.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.8 p . . . . . 0 N--CA 1.469 0.48 0 C-N-CA 127.643 2.377 . . . . 0.0 112.148 -168.047 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.9 tttm . . . . . 0 CA--C 1.534 0.354 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -74.57 38.31 0.12 Allowed 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 114.419 1.266 . . . . 0.0 114.419 -173.107 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 63.8 p -153.56 139.79 18.47 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 124.617 1.167 . . . . 0.0 108.276 176.104 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 65.8 mt -98.05 100.3 11.62 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 168.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.3 m -78.95 60.96 3.03 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.249 -0.907 . . . . 0.0 111.188 -176.757 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? 62.98 -66.33 0.09 Allowed 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 127.355 2.262 . . . . 0.0 112.979 179.144 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.5 pttm -55.06 -45.96 75.34 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 119.054 0.843 . . . . 0.0 111.04 -175.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -50.31 -40.4 48.59 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 118.855 0.752 . . . . 0.0 112.166 171.882 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 tt -64.4 -21.28 66.59 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.604 -0.685 . . . . 0.0 111.245 -178.8 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.89 -41.93 75.19 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.379 -0.825 . . . . 0.0 109.552 170.414 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 59.0 tt0 -57.22 -41.55 79.71 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-O 121.445 0.64 . . . . 0.0 109.572 176.364 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 tt -58.96 -74.39 0.07 Allowed 'General case' 0 N--CA 1.439 -1.024 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.375 -171.307 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 28.6 pt -46.33 -11.65 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.556 1.191 0 N-CA-C 117.105 2.261 . . . . 0.0 117.105 -166.649 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -92.38 -53.81 4.06 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 121.149 1.795 . . . . 0.0 112.965 169.796 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.54 33.53 0.91 Allowed 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 128.732 2.813 . . . . 0.0 107.943 176.84 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.55 -111.98 0.0 OUTLIER 'General case' 0 N--CA 1.432 -1.333 1 N-CA-C 126.118 5.599 . . . . 0.0 126.118 -153.78 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 43.7 mt -96.45 -59.42 1.83 Allowed 'General case' 0 N--CA 1.436 -1.162 0 C-N-CA 127.653 2.381 . . . . 0.0 110.184 -163.216 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.0 m -161.55 -67.04 0.06 Allowed 'General case' 0 C--O 1.228 -0.056 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 175.128 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 34.3 pt . . . . . 0 N--CA 1.454 -0.272 0 C-N-CA 125.679 1.592 . . . . 0.0 110.417 172.097 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.7 tp . . . . . 0 N--CA 1.449 -0.495 0 CA-C-O 118.701 -0.666 . . . . 0.0 110.174 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 44.2 ttm -52.75 -49.44 65.49 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.309 0.644 . . . . 0.0 111.168 -179.72 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -56.86 -35.44 68.88 Favored 'General case' 0 CA--C 1.516 -0.328 0 C-N-CA 123.128 0.571 . . . . 0.0 111.594 176.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -63.97 -15.83 60.16 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 118.718 -0.658 . . . . 0.0 112.72 178.418 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . 0.313 37.7 mt -72.57 7.84 1.7 Allowed 'General case' 0 C--N 1.341 0.217 0 N-CA-C 118.339 2.718 . . . . 0.0 118.339 -167.18 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.413 ' OD1' ' NZ ' ' A' ' 64' ' ' LYS . 4.2 p-10 -65.18 -10.52 31.99 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 118.338 -1.345 . . . . 0.0 107.429 156.917 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -14.03 28.07 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.697 1 C-N-CA 137.519 6.328 . . . . 0.0 121.209 -164.952 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -53.81 -11.57 0.42 Allowed 'General case' 0 CA--C 1.539 0.556 0 O-C-N 120.83 -1.169 . . . . 0.0 113.5 174.599 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.413 ' NZ ' ' OD1' ' A' ' 61' ' ' ASP . 16.5 mttt -46.1 -14.26 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 128.619 2.767 . . . . 0.0 112.434 165.295 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -42.08 -53.29 4.01 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 165.192 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -80.53 144.02 32.81 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 168.089 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -49.29 134.57 18.25 Favored 'General case' 0 C--O 1.232 0.18 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -169.648 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 23.1 t -76.06 83.48 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 CA-C-O 122.078 0.942 . . . . 0.0 110.348 -169.128 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 -74.55 166.79 22.95 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 106.861 -1.533 . . . . 0.0 106.861 166.528 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -50.81 -45.22 59.28 Favored 'General case' 0 C--O 1.222 -0.388 0 O-C-N 121.784 -0.573 . . . . 0.0 109.688 -179.662 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -42.0 -42.66 2.91 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.679 1.192 . . . . 0.0 112.445 175.132 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -87.54 -44.21 11.44 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 119.176 0.898 . . . . 0.0 111.312 -170.886 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -49.02 -41.91 36.38 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 167.401 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 12.8 mm -64.83 -53.55 40.45 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 CA-C-O 117.082 -1.437 . . . . 0.0 112.125 173.651 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 37.5 m -41.59 -52.94 3.65 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 121.304 1.865 . . . . 0.0 110.115 178.162 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -57.63 -55.91 28.68 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 125.733 1.613 . . . . 0.0 112.051 176.552 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.7 mt -49.88 -48.77 51.2 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.28 0.491 . . . . 0.0 110.648 176.565 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.87 -47.22 80.6 Favored Glycine 0 CA--C 1.526 0.729 0 C-N-CA 125.509 1.528 . . . . 0.0 111.463 178.666 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.63 -51.21 57.52 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 122.647 0.379 . . . . 0.0 110.953 176.758 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.5 mp -69.97 -47.8 60.83 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 122.19 -0.319 . . . . 0.0 111.598 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -38.39 -54.55 1.45 Allowed 'General case' 0 C--O 1.236 0.369 0 C-N-CA 127.338 2.255 . . . . 0.0 113.311 -173.536 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 74.0 mtm -39.99 -48.98 2.47 Favored 'General case' 0 C--N 1.339 0.144 0 O-C-N 124.385 1.053 . . . . 0.0 110.631 176.822 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 38.3 mm -88.37 -70.91 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 C-N-CA 125.311 1.444 . . . . 0.0 109.806 -175.826 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . 0.267 0.0 OUTLIER -65.75 -24.16 66.89 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -166.622 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -91.39 -61.81 1.57 Allowed 'General case' 0 C--N 1.341 0.215 0 CA-C-N 118.967 0.803 . . . . 0.0 111.449 178.727 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.233 0.209 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 -166.134 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.263 0 N-CA-C 111.619 0.229 . . . . 0.0 111.619 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 33.1 mm -59.03 -45.92 92.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 176.491 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.98 -45.28 50.76 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 124.18 0.895 . . . . 0.0 110.96 174.075 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.2 tp -66.5 -62.53 1.42 Allowed 'General case' 0 N--CA 1.445 -0.687 0 O-C-N 121.855 -0.791 . . . . 0.0 110.513 -179.773 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 80.7 mt -68.78 -56.83 6.79 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 119.136 -1.026 . . . . 0.0 109.985 -173.718 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -90.95 -32.22 5.28 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-O 118.209 -0.901 . . . . 0.0 111.365 -171.411 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.62 -62.32 5.9 Favored Glycine 0 C--N 1.34 0.801 0 N-CA-C 108.437 -1.865 . . . . 0.0 108.437 -178.301 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 45.7 mt -42.27 -40.75 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.156 0 C-N-CA 123.559 0.744 . . . . 0.0 111.118 174.142 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -49.47 -58.29 5.45 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 -177.171 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -90.24 -7.3 53.83 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 176.736 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -62.56 -55.03 31.12 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 106.812 -1.551 . . . . 0.0 106.812 167.908 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 9.1 m-30 -64.92 133.16 51.2 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 176.41 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.7 t 52.59 17.13 0.75 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.345 1.858 . . . . 0.0 115.934 -169.376 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.794 0 C-N-CA 117.94 -2.076 . . . . 0.0 117.395 -169.771 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? . . . . . 0 CA--C 1.532 0.252 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -139.6 126.76 21.16 Favored 'General case' 0 C--N 1.339 0.125 0 C-N-CA 123.308 0.643 . . . . 0.0 110.027 -179.672 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 18.9 p -83.85 172.86 11.75 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 126.338 1.855 . . . . 0.0 108.925 169.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 6.3 mp -103.22 150.35 23.79 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 118.242 0.473 . . . . 0.0 110.167 176.304 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 18.6 p -120.53 171.52 8.49 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 126.587 1.955 . . . . 0.0 108.414 169.833 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 31.0 tttp -52.38 -30.28 28.18 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -171.052 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.499 ' HZ2' ' CD ' ' B' ' 33' ' ' GLU . 20.1 pttm -64.39 -31.38 72.57 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 -174.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . 0.499 ' CD ' ' HZ2' ' B' ' 32' ' ' LYS . 0.8 OUTLIER -91.05 -31.87 16.11 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 119.128 0.876 . . . . 0.0 110.031 171.319 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -51.72 -41.43 61.5 Favored 'General case' 0 C--O 1.225 -0.214 0 CA-C-N 118.554 0.616 . . . . 0.0 110.041 171.122 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -41.25 -43.72 2.46 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.397 0.679 . . . . 0.0 112.72 170.188 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -77.73 -53.4 7.57 Favored 'General case' 0 N--CA 1.454 -0.231 0 O-C-N 122.013 -0.429 . . . . 0.0 110.353 176.865 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 tt -45.66 -49.85 14.05 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.765 1.626 . . . . 0.0 109.878 -175.046 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 5.9 pt -71.86 -17.24 19.16 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -174.357 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -88.1 -58.94 2.38 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 172.209 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -82.2 -82.85 0.13 Allowed 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 123.886 0.875 . . . . 0.0 111.69 -172.365 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -51.56 -34.73 37.98 Favored 'General case' 0 CA--C 1.528 0.122 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -167.47 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 37.2 mt -64.22 -5.82 5.65 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 119.612 1.096 . . . . 0.0 113.898 176.586 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 10.5 m 46.0 -107.96 0.16 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.184 1.793 . . . . 0.0 113.549 167.661 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 44.4 mm -71.21 -18.63 20.54 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 O-C-N 121.35 -0.844 . . . . 0.0 111.284 -174.678 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.659 0 N-CA-C 109.34 -1.504 . . . . 0.0 109.34 169.863 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . 0.262 0.7 OUTLIER . . . . . 0 N--CA 1.47 0.536 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 . . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -72.9 20.48 0.08 Allowed 'General case' 0 N--CA 1.44 -0.938 0 O-C-N 121.79 -0.569 . . . . 0.0 110.977 175.176 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 12.0 mt -54.34 -24.54 19.77 Favored 'General case' 0 C--N 1.346 0.45 0 O-C-N 119.482 -2.011 . . . . 0.0 109.99 166.22 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.62 -25.51 0.48 Allowed 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 123.813 0.845 . . . . 0.0 112.539 168.298 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 11.8 ptp85 -43.31 -19.22 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 169.15 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -30.01 -41.13 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 126.988 2.115 . . . . 0.0 112.794 167.92 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . 0.289 3.2 ptmm? 65.15 -59.47 0.26 Allowed 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 127.757 2.423 . . . . 0.0 115.872 172.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -59.54 -40.58 87.7 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 119.321 0.964 . . . . 0.0 109.204 -173.815 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -129.23 121.36 27.45 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 101.911 -3.366 . . . . 0.0 101.911 163.92 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -69.63 -76.02 0.1 Allowed 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 119.025 0.83 . . . . 0.0 109.542 -172.8 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 1.6 t -139.97 104.92 1.98 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 121.592 0.71 . . . . 0.0 111.502 171.741 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -89.53 168.34 12.25 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.225 1.01 . . . . 0.0 108.328 167.35 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -55.29 -40.93 71.66 Favored 'General case' 0 C--O 1.225 -0.212 0 C-N-CA 123.509 0.724 . . . . 0.0 111.914 -169.393 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -56.89 -59.08 5.57 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 179.331 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -56.69 -52.24 65.7 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 122.949 0.5 . . . . 0.0 110.461 -178.2 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -44.39 -59.46 2.4 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 125.586 1.554 . . . . 0.0 109.771 175.543 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 2.8 mm -59.15 -41.81 84.82 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 C-N-CA 123.681 0.793 . . . . 0.0 111.296 178.684 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 44.9 m -61.38 -49.32 77.39 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 118.843 0.747 . . . . 0.0 109.241 -176.323 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . 0.307 5.0 p90 -70.84 -37.44 73.15 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 122.01 -0.431 . . . . 0.0 112.034 -178.769 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 31.2 mt -55.55 -48.09 75.32 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.789 -0.569 . . . . 0.0 109.669 168.489 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.99 -45.92 79.45 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 125.975 1.75 . . . . 0.0 111.973 179.046 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.95 -51.72 55.14 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.732 0.266 . . . . 0.0 110.593 174.781 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 27.1 mt -63.9 -40.0 95.48 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 121.795 -0.566 . . . . 0.0 111.645 175.283 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.66 -47.02 63.95 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.726 0.81 . . . . 0.0 111.046 -178.09 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 30.5 mtp -50.55 -65.65 0.52 Allowed 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 121.263 0.554 . . . . 0.0 109.914 172.902 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.81 -53.79 40.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 123.948 0.899 . . . . 0.0 110.742 -170.007 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -77.46 -5.73 50.96 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -171.503 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -90.66 -100.1 0.1 Allowed 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 178.039 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.234 0.286 0 C-N-CA 125.339 1.455 . . . . 0.0 111.671 175.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.2 mmt . . . . . 0 CA--C 1.533 0.312 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 69.29 36.87 2.2 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 125.302 1.441 . . . . 0.0 109.054 -168.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 m -79.64 172.44 9.87 Favored Pre-proline 0 CA--C 1.539 0.555 0 N-CA-C 106.958 -1.497 . . . . 0.0 106.958 169.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -44.23 -59.84 0.98 Allowed 'Trans proline' 0 CA--C 1.537 0.643 0 C-N-CA 122.803 2.335 . . . . 0.0 115.637 -168.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 55.3 tp -63.32 -56.5 15.91 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 121.953 -0.467 . . . . 0.0 111.176 -174.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.85 -45.52 78.43 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 125.089 1.356 . . . . 0.0 110.943 179.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -57.48 -50.01 74.43 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.874 0.87 . . . . 0.0 110.143 174.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.85 -49.44 77.68 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-N 118.217 0.462 . . . . 0.0 111.381 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 98.1 mt -53.84 -51.03 48.45 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 175.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.52 -47.87 28.83 Favored Glycine 0 CA--C 1.528 0.87 0 C-N-CA 124.372 0.987 . . . . 0.0 111.407 173.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 52.8 tp -63.36 -49.17 74.91 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 117.768 0.784 . . . . 0.0 110.544 179.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.1 mp -54.1 -50.34 67.06 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.927 0.785 . . . . 0.0 110.612 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 90.1 mt -63.02 -46.02 97.35 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 122.75 0.42 . . . . 0.0 109.878 177.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.5 -45.48 93.02 Favored Glycine 0 CA--C 1.522 0.523 0 C-N-CA 125.186 1.374 . . . . 0.0 111.383 -178.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 20.4 mm -65.99 -53.93 32.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 177.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -40.56 -60.06 1.21 Allowed 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.68 0.792 . . . . 0.0 111.148 172.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . 0.251 2.2 m-70 -90.84 21.77 3.95 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 178.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -50.0 65.53 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 168.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -80.38 57.8 2.93 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 125.147 1.379 . . . . 0.0 108.152 -177.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.0 m -151.62 36.03 0.57 Allowed 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.234 1.014 . . . . 0.0 109.177 178.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -115.65 27.65 8.24 Favored Glycine 0 CA--C 1.528 0.855 0 N-CA-C 110.308 -1.117 . . . . 0.0 110.308 173.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.9 mttp -140.7 -121.35 0.11 Allowed 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 104.063 -2.569 . . . . 0.0 104.063 177.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.25 -87.29 0.06 Allowed 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 165.237 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.67 -51.07 3.0 Favored Glycine 0 CA--C 1.527 0.799 0 CA-C-O 118.701 -1.055 . . . . 0.0 113.734 169.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.1 t70 72.41 158.22 0.2 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 127.364 2.266 . . . . 0.0 111.343 -171.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -100.24 -37.51 8.88 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 126.417 1.887 . . . . 0.0 110.868 -179.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.0 p80 -71.94 -50.09 32.01 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 119.901 1.228 . . . . 0.0 111.214 -177.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -111.58 -168.06 1.26 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.235 1.814 . . . . 0.0 107.207 174.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -136.29 119.43 16.57 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 -179.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.3 p -62.74 150.28 41.68 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.1 0.476 . . . . 0.0 112.06 -171.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.0 mmtm -48.77 -58.18 5.19 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.732 0.813 . . . . 0.0 110.563 170.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.8 -30.95 71.98 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 120.438 -0.505 . . . . 0.0 111.286 -170.132 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -69.42 -45.48 69.08 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 118.759 0.709 . . . . 0.0 110.804 169.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.0 tt -55.97 -38.44 70.4 Favored 'General case' 0 N--CA 1.462 0.144 0 O-C-N 120.986 -1.071 . . . . 0.0 110.875 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 41.5 mmtt -60.11 -9.55 3.36 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 113.437 0.902 . . . . 0.0 113.437 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -78.55 -49.57 13.09 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 120.11 1.323 . . . . 0.0 110.413 169.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tt -45.73 -60.42 2.22 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 126.108 1.763 . . . . 0.0 109.284 176.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.1 tt -58.48 -46.59 89.63 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.485 -170.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -65.15 -59.53 4.01 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 120.055 -0.658 . . . . 0.0 110.758 -176.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.9 mmtm -97.15 -64.77 1.01 Allowed 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 115.884 1.809 . . . . 0.0 115.884 -175.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -78.75 14.53 1.3 Allowed 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 116.531 2.048 . . . . 0.0 116.531 -165.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.88 22.95 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 117.537 2.421 . . . . 0.0 117.537 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 69.09 -71.72 0.12 Allowed 'General case' 0 CA--C 1.531 0.223 0 O-C-N 120.167 -1.583 . . . . 0.0 112.593 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 15.2 tt -72.15 -67.62 0.46 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.402 0 C-N-CA 124.594 1.157 . . . . 0.0 110.811 -170.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -22.32 -62.04 0.03 OUTLIER Glycine 0 CA--C 1.53 0.98 0 C-N-CA 128.918 3.151 . . . . 0.0 116.139 -168.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.7 p -62.32 -13.08 25.02 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 -172.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.38 -20.89 31.19 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 118.762 0.71 . . . . 0.0 110.955 175.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -94.25 -118.68 0.1 Allowed 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 104.522 -2.399 . . . . 0.0 104.522 169.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -135.24 39.12 2.92 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 168.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 64.13 -61.69 0.18 Allowed 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 126.518 1.927 . . . . 0.0 114.002 -178.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 61.83 54.27 2.92 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.846 1.258 . . . . 0.0 110.11 -173.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -44.32 -43.26 7.33 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.446 1.498 . . . . 0.0 111.328 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 29.1 pt -52.66 -35.88 21.78 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 124.856 1.262 . . . . 0.0 113.147 178.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.6 t -77.1 -39.25 28.82 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.064 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 175.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -56.56 -35.1 67.77 Favored 'General case' 0 N--CA 1.452 -0.338 0 O-C-N 121.92 -0.488 . . . . 0.0 110.939 176.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.4 mt -48.67 -28.4 3.52 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.935 0.789 . . . . 0.0 112.665 173.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 16.1 tpt -71.26 -60.02 2.46 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 118.707 0.685 . . . . 0.0 109.918 169.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.489 ' C ' ' H ' ' A' ' 60' ' ' LEU . 38.6 t70 -72.97 7.92 1.81 Allowed 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 126.56 1.944 . . . . 0.0 115.114 -176.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -66.99 28.76 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 128.946 2.899 . . . . 0.0 109.119 163.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.489 ' H ' ' C ' ' A' ' 58' ' ' ASP . 48.1 mt -60.52 -6.47 1.63 Allowed 'General case' 0 C--N 1.344 0.367 0 C-N-CA 128.303 2.641 . . . . 0.0 111.496 -179.015 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -52.82 -20.65 3.4 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.629 0.728 . . . . 0.0 110.147 164.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 43.0 mtm-85 -54.04 -18.09 3.27 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 168.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -28.6 -70.39 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 127.461 2.304 . . . . 0.0 117.116 -167.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.9 pttp -150.15 -53.46 0.15 Allowed 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 119.225 0.92 . . . . 0.0 112.744 -171.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.93 -22.37 61.48 Favored 'General case' 0 N--CA 1.461 0.116 0 C-N-CA 124.342 1.057 . . . . 0.0 111.318 -168.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 68.7 -71.94 0.11 Allowed 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 126.449 1.9 . . . . 0.0 108.161 -168.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -80.59 79.5 7.21 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 106.581 -1.637 . . . . 0.0 106.581 176.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.0 m -54.52 161.26 0.47 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.127 0 C-N-CA 125.618 1.567 . . . . 0.0 114.541 -169.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -95.08 179.3 5.26 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 125.079 1.352 . . . . 0.0 108.156 175.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -59.05 -33.2 70.5 Favored 'General case' 0 C--O 1.224 -0.256 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 168.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.47 -64.84 0.68 Allowed 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 123.55 0.74 . . . . 0.0 111.392 178.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.9 mp0 -62.92 -44.86 94.94 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 119.546 1.066 . . . . 0.0 109.664 -171.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -42.66 -68.13 0.22 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.829 1.251 . . . . 0.0 110.133 170.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 9.5 tp -70.78 -25.81 26.94 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.309 0 O-C-N 121.745 -0.597 . . . . 0.0 111.108 -171.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 91.7 m -59.92 -56.88 16.3 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 118.74 0.7 . . . . 0.0 109.69 173.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.01 -44.51 72.65 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 122.237 -0.289 . . . . 0.0 110.315 -175.163 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 39.1 mt -58.52 -37.46 75.69 Favored 'General case' 0 C--O 1.224 -0.248 0 O-C-N 121.747 -0.596 . . . . 0.0 111.065 172.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.34 -49.77 74.95 Favored Glycine 0 CA--C 1.525 0.674 0 C-N-CA 124.42 1.009 . . . . 0.0 110.774 175.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.84 -51.86 59.35 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 122.531 0.332 . . . . 0.0 110.253 175.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 97.7 mt -59.8 -42.29 93.11 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 122.122 -0.361 . . . . 0.0 111.469 177.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.17 -38.65 83.84 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.564 0.746 . . . . 0.0 110.778 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 8.0 ttt -53.02 -28.49 24.45 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 119.533 -0.27 . . . . 0.0 111.158 172.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 21.5 mm -88.62 -67.12 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 C-N-CA 123.512 0.725 . . . . 0.0 109.62 174.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -61.91 -29.73 70.41 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 113.523 0.935 . . . . 0.0 113.523 -168.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -91.21 22.9 3.55 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 118.723 -0.656 . . . . 0.0 111.712 178.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.404 ' OE1' ' NZ ' ' A' ' 89' ' ' LYS . 10.9 tp10 -40.39 102.12 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 -171.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -156.51 35.39 0.32 Allowed 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 126.948 2.099 . . . . 0.0 106.784 167.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -149.14 -16.17 0.29 Allowed 'General case' 0 C--N 1.343 0.314 0 N-CA-C 114.868 1.433 . . . . 0.0 114.868 -169.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.404 ' NZ ' ' OE1' ' A' ' 86' ' ' GLU . 4.2 mtmp? -114.15 -32.42 6.01 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 124.36 1.064 . . . . 0.0 109.06 166.119 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.344 0 CA-C-O 121.717 0.62 . . . . 0.0 111.64 172.577 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 59.1 33.87 23.07 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 125.462 1.505 . . . . 0.0 112.135 -172.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 88.7 p -84.34 137.89 39.28 Favored Pre-proline 0 N--CA 1.452 -0.356 0 N-CA-C 105.247 -2.131 . . . . 0.0 105.247 168.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -25.39 -61.09 0.06 OUTLIER 'Trans proline' 0 CA--C 1.539 0.772 1 C-N-CA 125.432 4.088 . . . . 0.0 117.196 -169.026 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -56.58 -43.12 79.72 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.42 -41.25 33.5 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.43 0.692 . . . . 0.0 109.555 179.107 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -48.01 -38.99 18.39 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 126.208 1.803 . . . . 0.0 110.967 174.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -50.96 -49.56 59.79 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 118.053 0.388 . . . . 0.0 112.035 173.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 2.0 mp -68.26 -40.13 82.16 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 N-CA-C 107.929 -1.138 . . . . 0.0 107.929 174.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -41.74 -39.45 2.65 Favored Glycine 0 CA--C 1.529 0.947 0 C-N-CA 125.664 1.602 . . . . 0.0 112.6 169.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 85.1 mt -61.17 -46.41 90.63 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 119.602 1.701 . . . . 0.0 110.97 174.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 54.7 mt -63.94 -44.86 91.56 Favored 'General case' 0 C--O 1.234 0.286 0 O-C-N 121.689 -0.632 . . . . 0.0 109.809 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 81.8 mt -57.29 -40.71 75.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 C-N-CA 123.335 0.654 . . . . 0.0 109.591 171.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.23 -62.13 6.63 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 126.038 1.78 . . . . 0.0 110.094 176.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.9 mp -56.76 -48.44 81.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-N 118.852 1.326 . . . . 0.0 109.411 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . 0.453 ' CE2' ' CE1' ' B' ' 17' ' ' HIS . 53.4 t80 -43.3 -66.91 0.32 Allowed 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 123.661 0.784 . . . . 0.0 110.863 174.116 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . 0.453 ' CE1' ' CE2' ' B' ' 16' ' ' PHE . 1.5 m-70 -85.33 0.71 51.2 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 115.948 1.832 . . . . 0.0 115.948 -175.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -59.17 -48.92 79.82 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 106.01 -1.848 . . . . 0.0 106.01 166.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -76.63 50.22 0.67 Allowed 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 122.358 1.075 . . . . 0.0 110.883 171.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 16.1 m -142.97 -1.37 1.09 Allowed 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 123.613 0.765 . . . . 0.0 111.405 167.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.77 -50.36 68.19 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 108.774 -1.731 . . . . 0.0 108.774 170.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -74.81 10.86 1.23 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.593 1.157 . . . . 0.0 112.53 178.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -111.99 1.93 16.65 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 124.585 1.154 . . . . 0.0 111.494 178.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.84 -57.05 4.81 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -130.09 163.38 26.68 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.09 0.956 . . . . 0.0 110.921 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.71 54.51 0.16 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 127.136 2.174 . . . . 0.0 113.267 -173.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 34.0 p80 -106.0 -172.05 2.02 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 121.117 -0.989 . . . . 0.0 111.094 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 1.3 p -43.68 141.47 1.5 Allowed 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 127.288 2.235 . . . . 0.0 110.629 173.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 8.2 mp -71.41 100.83 2.27 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 174.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.7 m -84.95 90.33 7.79 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 122.97 0.508 . . . . 0.0 110.714 -170.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 18.5 mttp 64.79 -82.68 0.03 OUTLIER 'General case' 0 C--O 1.232 0.152 0 C-N-CA 124.924 1.289 . . . . 0.0 113.115 169.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -51.97 -44.56 64.05 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.648 0.779 . . . . 0.0 109.507 -172.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -52.76 -50.01 64.37 Favored 'General case' 0 N--CA 1.437 -1.106 0 C-N-CA 124.032 0.933 . . . . 0.0 110.579 176.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.45 -45.96 74.48 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 118.894 -1.123 . . . . 0.0 108.991 -175.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 58.2 mmtt -67.36 -26.24 66.38 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 119.568 -0.853 . . . . 0.0 110.799 -175.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -73.96 -35.92 64.57 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.846 0.858 . . . . 0.0 112.006 171.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.2 tt -68.4 -57.29 6.11 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 125.298 1.439 . . . . 0.0 110.776 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 19.4 tt -53.67 -36.45 29.0 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 C-N-CA 123.434 0.694 . . . . 0.0 112.682 -169.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -74.32 -19.48 60.45 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -93.23 -100.31 0.13 Allowed 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 178.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -86.73 -30.26 21.76 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 115.631 1.715 . . . . 0.0 115.631 -166.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -29.04 -61.63 0.13 Allowed 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 116.649 2.092 . . . . 0.0 116.649 -167.338 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 80.1 p -81.42 -110.19 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 120.88 0.371 . . . . 0.0 110.15 -169.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 7.1 mt -86.57 51.6 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 O-C-N 120.788 -1.195 . . . . 0.0 109.178 -174.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 61.47 -168.77 11.77 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -171.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.1 p -70.83 62.31 0.27 Allowed 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 126.645 1.978 . . . . 0.0 110.631 176.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -154.99 -41.34 0.09 Allowed 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 128.995 2.918 . . . . 0.0 107.173 -179.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 1.6 mp 65.89 -83.15 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 125.574 1.549 . . . . 0.0 111.781 171.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 68.91 -41.52 0.47 Allowed 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.679 1.992 . . . . 0.0 112.734 -175.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -53.2 142.5 20.58 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.598 1.559 . . . . 0.0 111.184 177.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.56 161.84 28.27 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 -168.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -49.47 -44.18 45.7 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.536 1.534 . . . . 0.0 109.382 170.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 37.8 pt -63.14 -26.5 41.09 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.712 0 CA-C-O 118.507 -0.759 . . . . 0.0 112.462 177.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 60.5 t -74.0 -49.08 35.66 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 119.664 1.12 . . . . 0.0 108.132 171.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 56.1 mttp -56.5 -36.92 69.69 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.984 -0.448 . . . . 0.0 111.224 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 53.2 tp -57.16 -27.49 61.94 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.572 1.149 . . . . 0.0 112.153 174.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 21.0 mmt -73.18 -62.03 1.61 Allowed 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 170.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -65.7 -9.41 27.52 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 -172.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -60.05 -4.32 0.75 Allowed 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.032 0.533 . . . . 0.0 110.141 163.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 59.9 tp -28.13 -30.92 0.0 OUTLIER 'General case' 0 C--N 1.344 0.348 1 C-N-CA 132.606 4.362 . . . . 0.0 114.933 169.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -44.33 -25.89 0.28 Allowed 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 122.649 1.214 . . . . 0.0 112.622 168.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -38.66 -36.75 0.28 Allowed 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 127.452 2.301 . . . . 0.0 111.674 167.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -41.42 -39.35 1.46 Allowed 'General case' 0 C--N 1.341 0.222 0 C-N-CA 127.459 2.304 . . . . 0.0 113.502 177.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.64 75.95 1.41 Allowed 'General case' 0 C--O 1.235 0.336 0 N-CA-C 105.407 -2.072 . . . . 0.0 105.407 -177.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 31.4 t0 16.95 55.9 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 130.256 3.422 . . . . 0.0 115.735 -174.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 61.31 10.2 2.95 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 115.799 1.777 . . . . 0.0 115.799 164.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.4 85.12 7.11 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 106.491 -1.67 . . . . 0.0 106.491 170.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 t -79.25 116.05 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -166.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -78.01 165.7 23.72 Favored 'General case' 0 CA--C 1.527 0.093 0 C-N-CA 124.647 1.179 . . . . 0.0 109.643 169.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -55.41 -45.63 76.7 Favored 'General case' 0 C--O 1.22 -0.455 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 177.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -51.07 -54.99 19.85 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 122.624 0.369 . . . . 0.0 110.803 175.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -59.77 -51.04 71.45 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.592 0.757 . . . . 0.0 109.857 -175.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -49.97 -52.12 36.17 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.663 1.185 . . . . 0.0 110.949 173.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 21.1 mm -61.07 -32.81 53.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 123.597 0.759 . . . . 0.0 110.789 178.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 26.4 m -56.29 -56.85 15.91 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 119.421 1.01 . . . . 0.0 109.91 -179.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.76 -44.61 69.83 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 119.207 -0.425 . . . . 0.0 111.304 -178.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 9.4 mt -50.1 -47.03 54.08 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 118.523 0.601 . . . . 0.0 110.374 174.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.27 -60.28 8.75 Favored Glycine 0 CA--C 1.523 0.567 0 C-N-CA 124.816 1.198 . . . . 0.0 111.49 174.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -49.81 -54.21 20.65 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.007 0.523 . . . . 0.0 110.978 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 42.2 mt -61.86 -48.51 80.21 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 123.571 0.748 . . . . 0.0 111.011 -179.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.26 -40.62 82.3 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 123.658 0.783 . . . . 0.0 110.041 -178.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 11.6 ttt -53.99 -26.11 24.41 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 122.643 0.377 . . . . 0.0 111.531 175.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 32.5 mm -90.85 -69.56 0.62 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 C-N-CA 123.883 0.873 . . . . 0.0 110.156 171.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 17.2 p90 -61.75 -33.38 73.96 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 -168.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -91.39 21.33 4.57 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.652 0.781 . . . . 0.0 111.704 -178.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -45.68 107.32 0.1 Allowed 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 -169.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -159.81 37.48 0.19 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 130.602 3.561 . . . . 0.0 104.733 167.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -127.49 -55.42 1.33 Allowed 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 128.159 2.583 . . . . 0.0 109.911 -167.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 30.9 mtmm -90.89 -28.27 18.22 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 125.097 1.359 . . . . 0.0 111.403 -176.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.36 0 C-N-CA 125.526 1.536 . . . . 0.0 110.909 -176.512 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.2 mtp . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 107.383 -1.34 . . . . 0.0 107.383 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.07 -87.74 0.4 Allowed 'General case' 0 CA--C 1.528 0.109 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 -168.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.7 p -67.27 162.27 56.77 Favored Pre-proline 0 C--N 1.327 -0.371 0 C-N-CA 123.711 0.804 . . . . 0.0 110.709 -169.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -48.87 -35.3 30.87 Favored 'Trans proline' 0 N--CA 1.455 -0.763 0 C-N-CA 122.424 2.083 . . . . 0.0 112.361 168.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 55.1 tp -63.98 -48.5 76.17 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 174.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -56.21 -49.27 74.56 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 176.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 55.0 mm-40 -54.52 -46.73 73.59 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 122.341 -0.224 . . . . 0.0 110.471 176.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.8 -53.41 58.16 Favored 'General case' 0 C--O 1.227 -0.12 0 C-N-CA 122.87 0.468 . . . . 0.0 110.567 178.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 92.8 mt -52.2 -52.41 24.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 177.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.35 -55.12 13.55 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 123.591 0.615 . . . . 0.0 111.911 176.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 50.4 tp -59.56 -53.28 59.85 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.959 0.904 . . . . 0.0 110.116 -176.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 mp -60.05 -50.96 71.65 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 124.218 1.007 . . . . 0.0 110.952 -176.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 55.6 mt -63.76 -41.68 93.4 Favored 'Isoleucine or valine' 0 C--N 1.339 0.15 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 178.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.21 -60.9 8.04 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 110.744 -0.943 . . . . 0.0 110.744 177.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 81.9 mt -59.36 -37.08 67.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 O-C-N 122.439 -0.448 . . . . 0.0 110.402 -178.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -58.75 -74.87 0.06 Allowed 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 118.777 0.717 . . . . 0.0 110.778 170.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -78.56 -31.05 47.15 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 117.326 2.343 . . . . 0.0 117.326 -164.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.37 -36.89 79.09 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 120.115 1.325 . . . . 0.0 109.65 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -67.65 -7.0 23.15 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.113 0.965 . . . . 0.0 112.076 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 51.1 m -63.64 -30.19 71.33 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 120.985 -1.072 . . . . 0.0 109.978 167.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 127.88 -74.03 0.44 Allowed Glycine 0 C--N 1.336 0.541 0 N-CA-C 106.546 -2.622 . . . . 0.0 106.546 -174.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -82.13 -135.93 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 167.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.9 mp0 -123.76 -16.6 6.62 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.306 0.643 . . . . 0.0 111.304 -169.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -165.78 37.38 0.26 Allowed Glycine 0 CA--C 1.528 0.891 0 N-CA-C 110.342 -1.103 . . . . 0.0 110.342 175.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.6 p-10 -82.47 -69.9 0.59 Allowed 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 125.659 1.584 . . . . 0.0 108.745 177.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.6 mmtm -82.87 106.28 14.57 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 105.967 -1.864 . . . . 0.0 105.967 175.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 52.5 m80 -65.72 -34.37 78.05 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 122.128 -0.357 . . . . 0.0 110.255 -175.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.3 p -97.1 156.97 16.15 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 106.496 -1.668 . . . . 0.0 106.496 166.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.9 mp -71.62 137.97 48.34 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 120.956 -1.09 . . . . 0.0 109.034 175.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.5 p -83.13 50.99 1.85 Allowed 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -169.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 36.4 mttm 67.96 -73.81 0.08 Allowed 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 125.886 1.675 . . . . 0.0 114.401 168.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -38.92 90.95 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.968 -0.458 . . . . 0.0 110.427 -170.082 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 50.6 mp0 -56.11 -35.43 67.05 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 122.433 0.293 . . . . 0.0 110.534 174.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.88 -43.84 97.72 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 119.87 -0.732 . . . . 0.0 110.469 -174.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -62.82 -20.04 64.65 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.658 -0.651 . . . . 0.0 112.273 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -79.29 -51.55 9.3 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 121.56 0.695 . . . . 0.0 109.897 169.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 tt -52.39 -42.45 64.03 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 125.852 1.661 . . . . 0.0 111.639 -176.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 7.0 pt -62.72 -32.65 56.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 120.095 -1.628 . . . . 0.0 112.608 178.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -63.27 -59.27 4.95 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 115.198 1.555 . . . . 0.0 115.198 -165.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.3 mtmm -92.86 -48.49 6.52 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 122.159 0.981 . . . . 0.0 111.27 -166.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -89.77 -49.18 6.78 Favored 'General case' 0 N--CA 1.437 -1.086 0 C-N-CA 127.181 2.193 . . . . 0.0 112.15 -165.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.7 mt -77.79 -70.12 0.5 Allowed 'General case' 0 C--N 1.342 0.26 0 CA-C-N 119.869 1.213 . . . . 0.0 112.241 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 42.0 p -77.01 93.61 3.85 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -163.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.8 mm -73.79 -77.18 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 CA-C-O 120.916 0.388 . . . . 0.0 110.181 170.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 44.11 33.51 2.83 Favored Glycine 0 CA--C 1.528 0.86 0 C-N-CA 126.319 1.914 . . . . 0.0 114.935 171.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.0 m 42.79 39.41 1.68 Allowed 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.619 1.168 . . . . 0.0 112.217 -175.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 53.0 mttt -58.67 -37.71 76.62 Favored 'General case' 0 C--N 1.34 0.157 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 -169.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 tm? 58.72 -82.29 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.223 1.409 . . . . 0.0 111.33 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -86.33 -18.11 32.77 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.013 0.925 . . . . 0.0 112.57 178.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.7 t70 58.12 -117.39 0.96 Allowed 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 -171.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 98.35 138.16 0.02 OUTLIER 'General case' 0 C--N 1.334 -0.085 0 C-N-CA 129.314 3.045 . . . . 0.0 109.498 -173.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -56.32 -32.27 64.5 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.962 -0.461 . . . . 0.0 110.71 172.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 39.5 mm -49.93 -41.76 18.0 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 C-N-CA 123.726 0.811 . . . . 0.0 110.67 169.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 52.8 t -79.96 -35.62 16.22 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.255 0 CA-C-N 118.156 0.434 . . . . 0.0 109.947 174.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.2 mttp -60.72 -22.23 63.77 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 119.74 1.155 . . . . 0.0 113.098 176.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.4 mp -52.81 -30.54 33.95 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 119.976 1.262 . . . . 0.0 110.698 168.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.4 tmm? -67.12 -56.56 9.47 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 171.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -47.1 -53.13 13.5 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 123.911 0.884 . . . . 0.0 110.71 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -65.84 20.96 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.636 1.974 . . . . 0.0 115.897 -167.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 62.8 tp -65.18 -47.46 76.89 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 121.102 -0.999 . . . . 0.0 109.363 168.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -48.26 -39.51 21.75 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 124.42 1.088 . . . . 0.0 110.408 174.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -6.4 1.49 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.171 1.788 . . . . 0.0 114.099 -177.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -27.32 -77.73 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 128.203 2.601 . . . . 0.0 114.025 176.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -79.7 85.13 5.43 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 121.283 -0.886 . . . . 0.0 110.86 -172.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.1 t70 42.14 49.34 4.29 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 126.643 1.977 . . . . 0.0 111.501 177.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 62.11 4.93 1.32 Allowed 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 115.513 1.671 . . . . 0.0 115.513 175.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -99.05 103.73 15.7 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 119.911 1.232 . . . . 0.0 110.572 -178.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.7 m -93.36 141.52 14.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 121.455 0.645 . . . . 0.0 110.795 170.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -104.34 172.71 6.65 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 128.172 2.589 . . . . 0.0 105.622 166.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -54.28 -43.43 71.02 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-O 118.612 -0.709 . . . . 0.0 112.352 -169.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -54.79 -57.36 11.86 Favored 'General case' 0 C--N 1.338 0.107 0 CA-C-N 118.768 0.713 . . . . 0.0 110.542 -178.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.14 -52.32 65.83 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -176.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -47.05 -56.38 6.59 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.51 1.124 . . . . 0.0 111.127 177.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.9 tp -73.85 -39.76 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 CA-C-O 119.338 -0.363 . . . . 0.0 110.185 -171.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 76.4 m -52.59 -52.61 54.42 Favored 'General case' 0 C--N 1.341 0.196 0 C-N-CA 123.391 0.676 . . . . 0.0 109.274 173.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -53.64 -55.45 25.83 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.744 1.218 . . . . 0.0 110.739 175.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.06 -53.34 10.39 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.036 0.534 . . . . 0.0 111.23 173.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.58 -50.62 59.54 Favored Glycine 0 CA--C 1.526 0.729 0 C-N-CA 124.474 1.035 . . . . 0.0 111.43 178.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.42 -52.45 65.58 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 117.267 0.533 . . . . 0.0 110.719 -178.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.2 mp -70.07 -34.07 72.72 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 121.547 -0.72 . . . . 0.0 110.689 -177.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.7 -50.43 73.23 Favored 'General case' 0 N--CA 1.455 -0.186 0 O-C-N 121.785 -0.572 . . . . 0.0 110.582 173.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 66.5 mtp -48.47 -37.16 16.64 Favored 'General case' 0 C--N 1.341 0.205 0 CA-C-N 118.402 0.546 . . . . 0.0 111.333 175.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 92.9 mt -76.39 -65.4 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 C-N-CA 122.782 0.433 . . . . 0.0 110.126 179.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -77.07 -29.52 55.08 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 -168.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -91.15 24.7 2.76 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.108 0.963 . . . . 0.0 113.546 -167.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -28.31 104.02 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 126.017 1.727 . . . . 0.0 114.851 -169.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 178.08 -52.8 0.01 OUTLIER 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 127.536 2.334 . . . . 0.0 107.029 -178.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.38 -39.75 33.4 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.467 1.107 . . . . 0.0 113.447 175.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 29.4 mtmm -78.02 -7.98 57.59 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.631 -0.668 . . . . 0.0 112.76 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.269 2.33 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 176.496 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mpp? . . . . . 0 N--CA 1.448 -0.525 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.64 -120.63 0.05 OUTLIER 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.495 1.118 . . . . 0.0 109.726 -178.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -64.66 157.67 72.46 Favored Pre-proline 0 CA--C 1.537 0.468 0 O-C-N 121.208 -0.932 . . . . 0.0 110.762 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -43.25 -44.78 10.04 Favored 'Trans proline' 0 CA--C 1.536 0.61 0 C-N-CA 123.733 2.955 . . . . 0.0 113.975 175.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 82.3 mt -56.53 -39.58 73.62 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.27 0.628 . . . . 0.0 111.649 177.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -74.56 -46.96 35.46 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 176.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -50.32 -37.84 38.71 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.534 0.733 . . . . 0.0 111.64 176.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.42 -42.97 71.11 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.829 -0.545 . . . . 0.0 111.797 173.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 25.2 mt -70.42 -43.83 77.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 174.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -40.93 -47.07 4.09 Favored Glycine 0 CA--C 1.527 0.81 0 C-N-CA 125.828 1.68 . . . . 0.0 112.236 170.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -53.25 -57.15 11.52 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.444 0.697 . . . . 0.0 109.271 176.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 78.5 mt -58.18 -47.05 84.63 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 122.861 0.464 . . . . 0.0 110.803 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 66.5 mt -52.16 -49.96 38.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 123.625 0.77 . . . . 0.0 109.918 177.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.92 -63.31 4.7 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 178.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.4 mp -52.65 -47.36 49.91 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.198 0 CA-C-O 117.737 -1.125 . . . . 0.0 111.032 -173.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -40.82 -71.04 0.09 Allowed 'General case' 0 C--N 1.342 0.242 0 CA-C-N 119.214 0.916 . . . . 0.0 109.414 176.069 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -79.18 -24.95 42.86 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 119.972 -0.691 . . . . 0.0 111.304 -169.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.45 -32.56 71.5 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 118.37 -1.332 . . . . 0.0 109.977 170.053 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -86.65 34.83 0.66 Allowed 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.913 1.685 . . . . 0.0 110.742 169.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 95.0 p -122.79 24.94 8.89 Favored 'General case' 0 CA--C 1.529 0.171 0 O-C-N 121.101 -0.999 . . . . 0.0 109.463 165.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 137.71 87.25 0.18 Allowed Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 107.328 -2.309 . . . . 0.0 107.328 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -41.99 -54.73 3.41 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 126.23 1.812 . . . . 0.0 109.617 174.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.6 pm0 -35.16 -41.94 0.17 Allowed 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 129.554 3.142 . . . . 0.0 113.923 169.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 131.42 56.86 0.09 OUTLIER Glycine 0 CA--C 1.527 0.787 0 C-N-CA 125.065 1.317 . . . . 0.0 111.425 175.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -120.58 161.14 21.84 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 169.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.06 110.3 6.91 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 126.748 2.019 . . . . 0.0 110.357 -168.335 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -173.55 -154.44 0.07 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 127.122 2.169 . . . . 0.0 107.225 171.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.89 162.57 6.72 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 125.391 1.476 . . . . 0.0 109.831 169.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 5.7 mp -68.44 91.38 0.4 Allowed 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -168.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.5 m -51.81 65.96 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 129.522 3.129 . . . . 0.0 118.091 -170.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 26.9 mttm 53.23 -76.92 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 115.859 1.8 . . . . 0.0 115.859 165.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.13 -36.44 72.95 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 121.916 0.865 . . . . 0.0 109.847 177.325 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -60.36 -48.97 79.47 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.039 173.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 18.7 tp -64.96 -40.95 95.77 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 -177.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -51.15 -50.16 59.46 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.272 0.629 . . . . 0.0 110.107 170.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -55.59 -49.42 72.8 Favored 'General case' 0 C--N 1.339 0.137 0 CA-C-N 118.585 0.63 . . . . 0.0 111.01 174.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.75 -46.3 74.31 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 124.029 0.932 . . . . 0.0 109.845 -175.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 1.2 pp -70.78 -36.06 63.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 O-C-N 121.956 -0.465 . . . . 0.0 111.839 177.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -56.56 -55.33 35.28 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 121.552 0.691 . . . . 0.0 109.353 176.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -92.28 -92.01 0.16 Allowed 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 126.538 1.935 . . . . 0.0 110.268 -169.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 41.3 mp0 -45.75 -51.89 11.89 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 124.892 1.277 . . . . 0.0 113.221 -171.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 9.1 mt -74.62 9.05 1.96 Allowed 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 113.731 1.011 . . . . 0.0 113.731 -171.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.17 95.0 1.23 Allowed 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 170.013 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 30.6 mm 69.63 -29.61 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 N-CA-C 115.33 1.604 . . . . 0.0 115.33 168.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.44 -78.94 0.82 Allowed Glycine 0 CA--C 1.525 0.718 0 O-C-N 120.56 -1.338 . . . . 0.0 110.058 -171.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 2.8 m -45.09 -49.54 11.64 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 126.238 1.815 . . . . 0.0 114.164 -168.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.86 -34.88 73.71 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -178.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 2.9 tm? 62.0 -71.14 0.05 OUTLIER 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.558 1.543 . . . . 0.0 113.42 -178.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 16.3 tp60 -36.65 -54.89 0.88 Allowed 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 126.696 1.998 . . . . 0.0 116.359 -167.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.29 172.61 1.06 Allowed 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -169.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . 120.15 -14.04 0.01 OUTLIER 'General case' 0 C--O 1.224 -0.249 0 C-N-CA 129.392 3.077 . . . . 0.0 113.117 169.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -64.13 -52.97 56.55 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-N 119.774 1.17 . . . . 0.0 110.587 -169.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 20.7 tt -55.18 -39.93 53.25 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.752 175.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 12.4 t -67.15 -40.37 85.08 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.329 0 CA-C-O 118.755 -0.641 . . . . 0.0 109.651 178.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -56.69 -32.49 65.49 Favored 'General case' 0 C--O 1.224 -0.258 0 C-N-CA 124.386 1.074 . . . . 0.0 111.007 -176.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 51.8 tp -45.98 -41.87 12.35 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 118.377 0.535 . . . . 0.0 110.823 170.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 66.5 mtt -84.15 -63.55 1.32 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.513 0.725 . . . . 0.0 109.567 172.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . 0.465 ' C ' ' H ' ' B' ' 60' ' ' LEU . 0.3 OUTLIER -58.29 -0.82 0.1 Allowed 'General case' 0 CA--C 1.508 -0.656 0 C-N-CA 130.563 3.545 . . . . 0.0 115.754 -173.128 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.79 26.77 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.211 0 O-C-N 120.918 -1.114 . . . . 0.0 110.936 164.536 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.465 ' H ' ' C ' ' B' ' 58' ' ' ASP . 60.6 tp -47.26 -32.14 4.34 Favored 'General case' 0 C--N 1.343 0.325 0 O-C-N 118.542 -2.599 . . . . 0.0 110.601 169.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -36.66 -35.69 0.09 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 129.003 2.921 . . . . 0.0 110.544 167.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 11.8 ptp85 -42.16 -42.04 2.87 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.4 1.08 . . . . 0.0 111.965 176.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -43.87 -38.35 3.29 Favored 'General case' 0 C--N 1.34 0.153 0 C-N-CA 126.104 1.762 . . . . 0.0 112.262 178.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.78 54.52 1.5 Allowed 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.271 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 46.61 42.02 10.71 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.989 1.315 . . . . 0.0 112.673 172.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 56.25 28.38 13.18 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.865 1.266 . . . . 0.0 112.432 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -148.27 82.34 1.48 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 122.521 1.153 . . . . 0.0 109.077 -172.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 29.3 m -78.44 154.76 5.04 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.697 0 CA-C-N 114.462 -1.245 . . . . 0.0 113.885 -168.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -105.22 171.06 7.52 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 129.081 2.952 . . . . 0.0 107.453 168.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -48.44 -45.25 36.2 Favored 'General case' 0 C--N 1.343 0.285 0 C-N-CA 124.919 1.287 . . . . 0.0 112.854 -169.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -60.76 -55.44 33.15 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 -175.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -65.74 -49.85 66.91 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 -174.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -41.02 -53.85 2.9 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 126.033 1.733 . . . . 0.0 110.234 171.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 6.3 mm -65.04 -60.52 2.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-O 118.665 -0.683 . . . . 0.0 110.718 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 96.7 m -45.32 -48.47 13.16 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 122.687 1.232 . . . . 0.0 109.473 -174.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -56.54 -61.44 2.41 Favored 'General case' 0 N--CA 1.437 -1.077 0 C-N-CA 126.263 1.825 . . . . 0.0 112.42 174.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.0 -39.08 71.34 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 118.438 0.563 . . . . 0.0 110.466 -177.264 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.56 -51.36 59.29 Favored Glycine 0 CA--C 1.527 0.816 0 C-N-CA 124.847 1.213 . . . . 0.0 112.179 172.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.66 -51.09 64.27 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 117.017 0.409 . . . . 0.0 110.464 178.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.27 -44.58 91.28 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 120.49 0.186 . . . . 0.0 110.535 178.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.13 -47.63 68.52 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 124.063 0.945 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 63.8 mtm -55.41 -19.61 9.73 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 175.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 35.5 mm -89.15 -66.46 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-N 119.605 1.093 . . . . 0.0 109.428 173.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -83.47 -37.18 23.47 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 -169.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -90.81 27.38 1.8 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.992 1.717 . . . . 0.0 111.759 -169.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -46.08 159.1 0.08 Allowed 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 123.727 1.727 . . . . 0.0 115.131 -171.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . 120.8 34.95 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.535 1 C-N-CA 133.652 4.781 . . . . 0.0 105.804 -166.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 57.9 mt -133.2 -46.19 0.84 Allowed 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 127.551 2.341 . . . . 0.0 109.014 -167.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 14.1 mtmm -109.54 -59.79 1.86 Allowed 'General case' 0 CA--C 1.521 -0.152 0 N-CA-C 107.351 -1.351 . . . . 0.0 107.351 171.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.361 0 N-CA-C 110.247 -1.141 . . . . 0.0 110.247 168.311 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.5 ttp . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.655 -0.128 . . . . 0.0 110.655 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -135.69 -140.61 0.17 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.153 0.981 . . . . 0.0 109.587 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.7 p -74.33 162.22 74.74 Favored Pre-proline 0 CA--C 1.533 0.321 0 CA-C-N 119.792 1.178 . . . . 0.0 110.676 -170.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -49.7 -36.27 41.0 Favored 'Trans proline' 0 N--CA 1.454 -0.828 0 C-N-CA 122.324 2.016 . . . . 0.0 112.043 168.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.7 mp -64.14 -47.94 77.95 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 177.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -57.24 -53.02 62.8 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 178.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.8 mm100 -52.53 -50.37 62.99 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 177.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.16 -61.0 2.69 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 119.135 -0.46 . . . . 0.0 111.059 -179.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 40.5 mm -53.59 -47.93 59.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-N 118.776 0.716 . . . . 0.0 110.417 -178.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.39 -50.91 28.43 Favored Glycine 0 CA--C 1.528 0.89 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 173.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 46.6 mt -62.23 -43.17 99.44 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 117.967 -1.016 . . . . 0.0 111.287 178.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.4 mt -58.16 -46.98 84.77 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 120.463 1.483 . . . . 0.0 110.153 -175.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 83.0 mt -68.33 -50.39 57.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 124.252 1.021 . . . . 0.0 109.986 177.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.09 -53.07 47.93 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 124.078 0.846 . . . . 0.0 112.088 -173.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.0 tt -65.48 -30.34 49.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 O-C-N 121.928 -0.748 . . . . 0.0 111.051 -174.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -44.65 -65.76 0.48 Allowed 'General case' 0 C--O 1.225 -0.234 0 C-N-CA 123.901 0.88 . . . . 0.0 113.091 -169.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -79.61 -8.21 59.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 118.856 -0.592 . . . . 0.0 111.759 178.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 tpmp? -71.12 -54.11 12.22 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 174.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -76.54 88.21 3.26 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 106.288 -1.745 . . . . 0.0 106.288 176.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.3 p 174.82 -35.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 128.892 2.877 . . . . 0.0 106.335 -169.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 134.67 -71.09 0.5 Allowed Glycine 0 C--N 1.341 0.806 0 N-CA-C 110.048 -1.221 . . . . 0.0 110.048 178.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.25 115.24 5.34 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.025 0.93 . . . . 0.0 108.723 -169.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.88 -35.34 2.76 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 126.606 1.962 . . . . 0.0 115.358 -169.285 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.67 -71.57 0.69 Allowed Glycine 0 CA--C 1.528 0.851 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 -174.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.6 p30 -91.68 -55.1 3.61 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 125.699 1.599 . . . . 0.0 110.465 -172.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -76.53 141.34 41.24 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 123.613 0.765 . . . . 0.0 110.21 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -142.93 -46.06 0.31 Allowed 'General case' 0 C--O 1.225 -0.2 0 C-N-CA 124.565 1.146 . . . . 0.0 109.99 -176.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.31 142.43 55.53 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 125.18 1.392 . . . . 0.0 112.064 -175.181 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.0 mt -67.75 82.67 0.19 Allowed 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 125.708 1.603 . . . . 0.0 109.416 -177.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.1 m -69.59 77.72 0.42 Allowed 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 125.205 1.402 . . . . 0.0 112.83 -169.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.284 0.1 OUTLIER 50.08 -72.68 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 128.68 2.792 . . . . 0.0 114.953 170.042 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.74 -25.7 68.04 Favored 'General case' 0 N--CA 1.453 -0.285 0 O-C-N 121.277 -0.889 . . . . 0.0 109.851 175.258 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -72.73 -46.25 54.51 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -56.62 -52.02 66.46 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 173.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.07 -38.54 57.52 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.784 0.834 . . . . 0.0 111.542 176.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -62.65 -59.39 4.97 Favored 'General case' 0 C--O 1.232 0.156 0 O-C-N 121.046 -1.034 . . . . 0.0 109.875 175.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.86 -55.42 14.36 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 124.542 1.137 . . . . 0.0 111.119 -175.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.8 tt -66.0 -44.9 92.04 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.534 -175.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -69.6 -47.13 64.56 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 -174.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -90.68 -53.13 4.54 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -169.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -91.0 -54.34 4.0 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 -165.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.0 mt -49.91 -75.88 0.03 OUTLIER 'General case' 0 C--O 1.233 0.208 0 N-CA-C 116.469 2.026 . . . . 0.0 116.469 -165.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 66.2 p -53.29 -18.89 2.74 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 116.032 1.864 . . . . 0.0 116.032 -166.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 23.8 pt -97.4 -6.39 9.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -175.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -46.49 117.2 2.71 Favored Glycine 0 CA--C 1.535 1.282 0 CA-C-N 119.348 0.976 . . . . 0.0 111.043 179.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.763 ' OG ' ' OXT' ' A' ' 90' ' ' GLY . 17.2 m 67.99 -58.37 0.45 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.244 1.817 . . . . 0.0 112.876 -171.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -58.66 -40.89 84.77 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 125.993 1.717 . . . . 0.0 114.171 -169.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.2 mt 53.19 -138.19 1.15 Allowed 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 105.686 -1.968 . . . . 0.0 105.686 -164.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 36.45 58.8 1.02 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.522 1.529 . . . . 0.0 113.614 166.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -91.67 179.91 5.52 Favored 'General case' 0 N--CA 1.461 0.095 0 O-C-N 122.347 -0.221 . . . . 0.0 110.787 -177.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -158.13 154.52 27.58 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.316 0.646 . . . . 0.0 109.345 178.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -49.14 -45.82 44.31 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.586 0.754 . . . . 0.0 110.663 177.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 37.1 pt -60.73 -38.11 77.83 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.737 0 C-N-CA 123.763 0.825 . . . . 0.0 111.706 176.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 97.4 t -68.55 -45.9 81.02 Favored 'Isoleucine or valine' 0 C--N 1.34 0.191 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -39.9 94.47 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.082 179.371 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.5 tp -58.63 -47.33 84.73 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 123.16 0.584 . . . . 0.0 109.966 175.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 44.3 tpp -58.64 -51.89 67.99 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 121.088 0.47 . . . . 0.0 110.255 177.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.88 -33.82 57.58 Favored 'General case' 0 C--N 1.333 -0.109 0 C-N-CA 123.801 0.84 . . . . 0.0 112.079 173.298 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.06 5.96 0.45 Allowed 'General case' 0 C--O 1.22 -0.484 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 175.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 60.9 tp -54.23 -21.23 8.5 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 119.702 -1.874 . . . . 0.0 111.112 167.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.422 ' CG ' ' HZ3' ' A' ' 64' ' ' LYS . 1.6 p-10 -60.34 -16.23 33.06 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 169.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . 0.253 0.0 OUTLIER -29.03 -27.6 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 129.136 2.974 . . . . 0.0 117.921 -168.646 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -44.12 -44.81 7.85 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 116.907 -1.521 . . . . 0.0 111.007 168.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.422 ' HZ3' ' CG ' ' A' ' 61' ' ' ASP . 52.0 mttp 32.81 58.8 0.43 Allowed 'General case' 0 CA--C 1.535 0.391 0 O-C-N 124.614 1.196 . . . . 0.0 110.161 169.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.25 29.31 0.05 Allowed 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 125.606 1.562 . . . . 0.0 114.64 -165.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 63.37 153.24 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 128.201 2.6 . . . . 0.0 112.236 -175.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 37.46 49.98 1.04 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.853 1.661 . . . . 0.0 112.412 173.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 32.9 m -74.96 157.34 6.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-O 121.328 0.585 . . . . 0.0 110.721 -171.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -106.94 168.75 8.98 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.022 1.729 . . . . 0.0 110.834 -169.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -56.48 -37.27 70.13 Favored 'General case' 0 C--O 1.219 -0.542 0 C-N-CA 123.747 0.819 . . . . 0.0 111.697 -173.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.57 -57.03 14.12 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 119.513 1.052 . . . . 0.0 110.174 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -54.95 -59.99 3.98 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 -177.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -45.57 -60.74 2.02 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 126.087 1.755 . . . . 0.0 111.087 177.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 8.0 tp -68.87 -37.36 77.26 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.229 0 C-N-CA 123.768 0.827 . . . . 0.0 110.744 -170.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 56.9 m -63.54 -48.94 75.45 Favored 'General case' 0 CA--C 1.528 0.101 0 CA-C-N 118.603 0.638 . . . . 0.0 109.448 178.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -52.11 -56.73 12.58 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.481 0.712 . . . . 0.0 110.737 171.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.43 -37.88 27.28 Favored 'General case' 0 C--O 1.222 -0.392 0 C-N-CA 124.208 1.003 . . . . 0.0 111.436 174.229 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.4 -51.79 20.53 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.46 -1.056 . . . . 0.0 110.46 174.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.31 -55.97 25.71 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 117.781 0.791 . . . . 0.0 110.316 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 65.9 mt -51.88 -49.71 62.45 Favored 'General case' 0 C--O 1.223 -0.29 0 C-N-CA 123.31 0.644 . . . . 0.0 110.166 -176.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.42 ' HA ' ' CE1' ' A' ' 84' ' ' TYR . . . -73.2 -45.06 58.51 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 125.295 1.438 . . . . 0.0 111.372 -172.058 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -49.69 -53.11 26.41 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 173.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 92.6 mt -68.36 -58.04 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 O-C-N 124.594 1.184 . . . . 0.0 109.876 -175.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.42 ' CE1' ' HA ' ' A' ' 81' ' ' ALA 0.401 0.0 OUTLIER -71.61 -18.94 62.18 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 -169.377 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 -90.98 -100.57 0.11 Allowed 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 104.293 -2.484 . . . . 0.0 104.293 166.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 178.35 84.0 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.249 0 C-N-CA 129.254 3.022 . . . . 0.0 103.293 166.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 53.2 58.0 5.7 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 107.267 -1.382 . . . . 0.0 107.267 -167.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . 0.253 7.2 mt 55.33 4.29 0.09 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.358 1.863 . . . . 0.0 115.562 -174.133 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 32.9 mtmm -76.38 78.74 3.12 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 121.747 2.067 . . . . 0.0 109.985 175.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.763 ' OXT' ' OG ' ' A' ' 46' ' ' SER . . . . . . . . 0 C--O 1.269 2.336 0 N-CA-C 109.848 -1.301 . . . . 0.0 109.848 -178.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 86.6 mmm . . . . . 0 CA--C 1.534 0.337 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 73.83 41.96 0.4 Allowed 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 126.605 1.962 . . . . 0.0 108.649 -169.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.73 173.44 4.75 Favored Pre-proline 0 CA--C 1.534 0.36 0 C-N-CA 125.257 1.423 . . . . 0.0 108.367 177.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_exo -51.39 -52.79 8.28 Favored 'Trans proline' 0 N--CA 1.454 -0.813 0 C-N-CA 122.756 2.304 . . . . 0.0 113.959 -174.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 83.1 mt -69.09 -51.27 40.42 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 122.17 -0.331 . . . . 0.0 110.938 -172.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.84 -48.46 78.0 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.387 0.675 . . . . 0.0 110.727 175.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 13.3 tp60 -56.89 -44.32 82.17 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 122.016 -0.427 . . . . 0.0 110.559 175.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.81 -50.65 72.61 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 118.374 0.534 . . . . 0.0 110.866 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 22.3 mt -58.36 -46.45 89.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 177.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.3 -50.26 47.57 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.301 -0.719 . . . . 0.0 111.301 175.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 47.9 tp -63.33 -55.91 20.76 Favored 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 121.768 -0.843 . . . . 0.0 110.263 -178.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 85.7 mt -63.59 -69.15 0.29 Allowed 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 -178.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 4.1 mm -90.54 -24.5 5.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-O 118.148 -0.929 . . . . 0.0 112.798 -169.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.23 -50.7 43.33 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 108.782 -1.727 . . . . 0.0 108.782 -179.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 32.2 mt -61.72 -50.22 81.14 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 C-N-CA 122.646 0.378 . . . . 0.0 111.363 175.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -28.94 -76.17 0.02 OUTLIER 'General case' 0 C--N 1.341 0.204 0 C-N-CA 126.325 1.85 . . . . 0.0 114.234 -166.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -76.16 -17.9 59.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.409 -172.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm -67.55 -35.56 79.29 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 118.765 0.711 . . . . 0.0 110.225 -173.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -74.88 72.72 2.09 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-O 123.142 1.449 . . . . 0.0 108.609 175.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 7.0 t -175.72 -31.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 128.005 2.522 . . . . 0.0 108.248 -168.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.23 -64.8 2.76 Favored Glycine 0 C--N 1.34 0.762 0 N-CA-C 108.68 -1.768 . . . . 0.0 108.68 -173.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -80.18 59.53 3.37 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 123.588 0.755 . . . . 0.0 109.788 177.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -59.11 -36.17 74.7 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -177.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -39.43 -69.64 0.4 Allowed Glycine 0 CA--C 1.527 0.832 0 C-N-CA 126.29 1.9 . . . . 0.0 112.401 177.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 33.1 p-10 -91.89 -56.25 3.16 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 117.919 0.859 . . . . 0.0 110.131 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 21.7 ttpp -75.16 71.51 2.2 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 121.823 0.821 . . . . 0.0 108.869 178.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -53.62 -33.5 55.27 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.26 0.624 . . . . 0.0 110.831 170.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 5.3 p -74.43 148.08 41.45 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.372 1.069 . . . . 0.0 111.788 -177.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 2.0 mp -85.54 138.72 32.01 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 104.912 -2.255 . . . . 0.0 104.912 169.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.31 165.59 20.22 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 119.095 -1.042 . . . . 0.0 108.915 170.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.49 ' HZ1' ' CG ' ' B' ' 61' ' ' ASP . 31.3 mttm -75.84 62.52 1.57 Allowed 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 121.958 0.885 . . . . 0.0 110.191 178.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -163.31 -58.36 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 126.942 2.097 . . . . 0.0 105.411 -175.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -56.23 -45.38 79.97 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 169.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 53.4 tp -56.91 -43.08 81.01 Favored 'General case' 0 C--N 1.343 0.322 0 C-N-CA 120.649 -0.42 . . . . 0.0 111.194 -179.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.25 -29.43 9.55 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.457 0.703 . . . . 0.0 111.847 178.511 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -82.5 -59.61 2.47 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 118.631 0.651 . . . . 0.0 109.987 178.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 tt -42.1 -53.6 3.9 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 125.302 1.441 . . . . 0.0 111.017 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 13.4 tt -61.21 -24.61 33.83 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.671 0 CA-C-N 114.779 -1.1 . . . . 0.0 112.481 -169.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -84.46 -59.87 2.25 Favored 'General case' 0 N--CA 1.45 -0.462 0 O-C-N 121.627 -0.67 . . . . 0.0 110.902 -177.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 13.2 mtmm -93.13 -61.88 1.49 Allowed 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 121.422 0.63 . . . . 0.0 112.416 -171.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 39.0 mp0 -55.61 -21.71 18.98 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 126.924 2.089 . . . . 0.0 116.026 -166.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 68.6 mt -65.13 27.01 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 116.699 2.111 . . . . 0.0 116.699 -176.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 39.6 m 69.49 -80.61 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.159 0 O-C-N 120.44 -1.413 . . . . 0.0 112.125 168.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 20.6 tt -59.51 -41.36 84.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 169.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -54.48 -24.24 30.38 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.955 174.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 4.3 m -72.64 -9.83 59.07 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 117.982 0.891 . . . . 0.0 112.111 -178.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 3.6 ttpm? -58.74 -47.87 83.14 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 168.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 2.0 tp 69.55 165.45 0.27 Allowed 'General case' 0 C--O 1.235 0.323 0 C-N-CA 124.104 0.962 . . . . 0.0 108.48 -173.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 53.53 51.45 15.2 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 -167.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -108.64 -55.06 2.44 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 126.803 2.041 . . . . 0.0 107.156 -177.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . 158.84 62.84 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 128.549 2.74 . . . . 0.0 107.731 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -54.12 -31.52 52.38 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.12 0.968 . . . . 0.0 113.306 -169.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 38.5 mm -67.23 -43.6 88.16 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 C-N-CA 123.521 0.729 . . . . 0.0 110.444 174.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 58.5 t -68.2 -46.16 81.66 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.2 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 178.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -48.95 -51.52 29.87 Favored 'General case' 0 C--O 1.225 -0.226 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 172.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 35.2 tp -55.5 -50.81 68.96 Favored 'General case' 0 C--O 1.223 -0.321 0 O-C-N 121.904 -0.497 . . . . 0.0 110.772 174.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 26.9 ttt -56.38 -27.41 56.1 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . 0.483 ' C ' ' H ' ' B' ' 60' ' ' LEU . 73.9 m-20 -73.93 6.69 3.12 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 174.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . 0.426 ' CG ' ' HE ' ' B' ' 62' ' ' ARG . 14.0 p-10 -64.24 26.41 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.569 1.148 . . . . 0.0 111.078 163.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.483 ' H ' ' C ' ' B' ' 58' ' ' ASP . 3.4 pp -41.54 -27.42 0.09 Allowed 'General case' 0 C--N 1.345 0.405 0 C-N-CA 130.891 3.676 . . . . 0.0 114.604 -169.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.49 ' CG ' ' HZ1' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -44.44 -24.17 0.16 Allowed 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.998 1.319 . . . . 0.0 111.58 166.657 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . 0.426 ' HE ' ' CG ' ' B' ' 59' ' ' ASP . 25.2 ttp85 -47.94 -13.16 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 127.585 2.354 . . . . 0.0 112.994 169.13 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -31.79 -44.45 0.08 Allowed 'General case' 0 C--N 1.343 0.299 0 C-N-CA 126.479 1.912 . . . . 0.0 110.834 165.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . 0.434 ' HZ2' ' CG ' ' B' ' 65' ' ' ASP . 0.1 OUTLIER 106.99 -29.06 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 129.896 3.278 . . . . 0.0 110.848 173.153 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.434 ' CG ' ' HZ2' ' B' ' 64' ' ' LYS . 0.7 OUTLIER -78.3 9.93 3.46 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.281 1.432 . . . . 0.0 112.063 -168.782 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -156.42 163.44 39.45 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 125.729 1.611 . . . . 0.0 107.607 -178.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -121.1 151.3 40.02 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 168.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 6.7 t -63.03 102.27 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.186 0 O-C-N 123.668 0.605 . . . . 0.0 110.627 -167.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -100.34 -179.26 4.06 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 169.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -55.09 -39.66 69.55 Favored 'General case' 0 N--CA 1.449 -0.504 0 O-C-N 121.941 -0.474 . . . . 0.0 110.84 -176.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -55.59 -57.51 11.65 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 118.298 0.499 . . . . 0.0 111.803 175.076 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 57.1 mp0 -56.41 -54.42 45.83 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 -177.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -47.23 -52.24 16.51 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.349 1.06 . . . . 0.0 110.656 176.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 2.6 mm -55.15 -46.59 77.69 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.426 0 CA-C-O 117.334 -1.317 . . . . 0.0 110.88 -175.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 3.6 m -30.78 -61.02 0.19 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.603 1.161 . . . . 0.0 113.803 -169.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.15 -43.48 64.58 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 119.018 -0.515 . . . . 0.0 111.808 -179.432 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 4.5 mp -51.34 -47.92 62.58 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-N 119.004 0.82 . . . . 0.0 110.294 174.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.77 -57.3 20.51 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 177.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.81 -45.34 59.39 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.128 0.571 . . . . 0.0 112.044 -178.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 61.3 mt -81.27 -39.97 24.43 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.212 0.605 . . . . 0.0 110.897 -176.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.19 -36.08 67.98 Favored 'General case' 0 CA--C 1.521 -0.154 0 C-N-CA 125.251 1.421 . . . . 0.0 110.847 176.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.27 -43.15 1.09 Allowed 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.989 0.916 . . . . 0.0 110.1 169.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.9 mp -89.72 -70.23 0.56 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 C-N-CA 124.07 0.948 . . . . 0.0 109.669 173.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -60.94 -25.54 66.86 Favored 'General case' 0 C--N 1.341 0.213 0 N-CA-C 116.188 1.921 . . . . 0.0 116.188 -165.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -60.29 -59.25 5.71 Favored 'General case' 0 C--O 1.226 -0.146 0 CA-C-N 119.498 1.045 . . . . 0.0 110.108 -172.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -177.61 39.32 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 127.132 2.173 . . . . 0.0 108.151 175.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . 49.04 33.87 5.12 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.388 -0.82 . . . . 0.0 109.58 -166.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 61.9 mt 51.88 30.95 7.69 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 126.882 2.073 . . . . 0.0 114.425 -172.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 2.4 mtmp? -96.87 -84.03 0.37 Allowed 'General case' 0 C--N 1.341 0.208 0 CA-C-N 119.78 1.173 . . . . 0.0 109.39 173.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.429 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -174.713 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.603 0.239 . . . . 0.0 111.629 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.27 48.81 1.05 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.884 0.873 . . . . 0.0 111.919 -173.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -172.56 131.1 0.64 Allowed Pre-proline 0 CA--C 1.532 0.285 0 C-N-CA 126.394 1.878 . . . . 0.0 106.71 175.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -44.71 -54.13 4.42 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 123.65 2.9 . . . . 0.0 114.258 -176.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 80.0 mt -62.5 -48.14 80.89 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 122.055 -0.403 . . . . 0.0 110.789 -177.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -59.76 -39.12 83.76 Favored 'General case' 0 C--O 1.223 -0.304 0 C-N-CA 122.675 0.39 . . . . 0.0 110.448 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -65.22 -46.65 79.79 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.475 0.71 . . . . 0.0 110.578 175.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.03 -61.95 2.18 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.986 0.914 . . . . 0.0 110.318 -178.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 65.4 mt -58.39 -37.01 61.26 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 174.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.71 -35.11 11.31 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-O 118.001 -1.444 . . . . 0.0 113.414 171.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 22.5 mt -58.59 -34.59 71.27 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 120.556 2.178 . . . . 0.0 111.71 175.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mp -63.56 -58.23 7.63 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.585 0.63 . . . . 0.0 109.665 -175.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.3 mt -68.51 -29.71 44.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-N 118.414 0.552 . . . . 0.0 110.839 173.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.93 -62.88 5.73 Favored Glycine 0 C--O 1.222 -0.602 0 C-N-CA 124.822 1.201 . . . . 0.0 111.223 -178.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 65.8 mt -52.38 -45.88 45.75 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-N 118.01 0.905 . . . . 0.0 109.961 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -49.49 -73.99 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.582 1.153 . . . . 0.0 110.883 171.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -79.52 0.02 31.46 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 116.021 1.86 . . . . 0.0 116.021 -172.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.6 tttt -51.91 -53.84 36.27 Favored 'General case' 0 CA--C 1.527 0.085 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 167.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -68.09 -27.19 66.28 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.498 -0.774 . . . . 0.0 112.022 -176.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.4 m -74.4 -5.54 42.98 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 118.896 -0.573 . . . . 0.0 112.439 170.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.19 -38.61 26.05 Favored Glycine 0 CA--C 1.528 0.905 0 CA-C-N 119.335 0.97 . . . . 0.0 112.42 -174.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.3 pttm -59.25 -31.16 68.82 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 177.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -89.45 -32.31 17.29 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 123.191 0.596 . . . . 0.0 111.393 169.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.21 -45.52 2.57 Favored Glycine 0 CA--C 1.531 1.037 0 C-N-CA 124.829 1.204 . . . . 0.0 111.426 -171.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -50.42 152.54 1.83 Allowed 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 115.281 1.585 . . . . 0.0 115.281 -170.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.56 -12.61 10.44 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 127.024 2.13 . . . . 0.0 115.349 178.11 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.529 ' CG ' ' H ' ' A' ' 28' ' ' THR . 1.9 p80 -58.14 -90.26 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 117.062 2.245 . . . . 0.0 117.062 -169.045 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.529 ' H ' ' CG ' ' A' ' 27' ' ' HIS . 9.6 p -153.75 171.55 18.7 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 126.273 1.829 . . . . 0.0 107.162 -165.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.1 pp -103.84 142.02 35.11 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 104.589 -2.375 . . . . 0.0 104.589 165.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 97.2 p -83.99 46.57 1.2 Allowed 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.117 -0.989 . . . . 0.0 113.282 -165.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.318 0.0 OUTLIER 64.2 -48.19 0.29 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 127.672 2.389 . . . . 0.0 116.913 173.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.08 -47.24 83.81 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 120.784 1.629 . . . . 0.0 109.012 -176.188 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -51.55 -29.26 16.36 Favored 'General case' 0 N--CA 1.44 -0.946 0 C-N-CA 125.178 1.391 . . . . 0.0 112.174 175.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.69 -37.09 77.87 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.454 -0.779 . . . . 0.0 109.893 176.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 43.1 mmtt -66.27 -15.83 63.53 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.618 -0.676 . . . . 0.0 112.46 175.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -90.64 -43.73 9.97 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 122.143 0.973 . . . . 0.0 110.267 174.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.7 tt -49.36 -54.98 14.51 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.409 1.884 . . . . 0.0 110.399 172.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 15.0 tt -55.42 -46.14 78.47 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 O-C-N 121.682 -0.636 . . . . 0.0 111.935 -176.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.9 mm100 -58.82 -57.65 12.1 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 122.552 0.341 . . . . 0.0 111.147 -172.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.9 mtmm -91.55 -64.74 1.08 Allowed 'General case' 0 N--CA 1.457 -0.125 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 -174.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.2 mp0 -60.65 -44.86 95.93 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 118.583 -0.723 . . . . 0.0 111.809 -171.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.3 mt -79.66 14.96 1.48 Allowed 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.695 1.134 . . . . 0.0 113.076 174.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m 72.0 -70.06 0.17 Allowed 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 125.187 1.395 . . . . 0.0 114.406 167.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 34.4 mt 68.62 -56.7 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 128.982 2.913 . . . . 0.0 109.991 -169.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 49.34 -103.01 0.07 OUTLIER Glycine 0 CA--C 1.528 0.865 0 C-N-CA 126.83 2.157 . . . . 0.0 112.528 175.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.1 p -64.76 -33.0 74.94 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 124.273 1.029 . . . . 0.0 111.186 -178.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -82.68 48.43 1.32 Allowed 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.046 0.539 . . . . 0.0 111.147 -169.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.52 44.97 0.46 Allowed 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 123.768 0.827 . . . . 0.0 113.115 -173.451 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -178.66 -60.44 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 126.804 2.042 . . . . 0.0 107.102 177.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.0 t0 55.58 172.57 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 128.036 2.535 . . . . 0.0 114.617 175.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.42 155.18 31.99 Favored 'General case' 0 CA--C 1.527 0.071 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -174.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -59.69 -38.36 81.35 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.639 1.176 . . . . 0.0 110.711 -177.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 46.0 pt -52.39 -35.42 20.03 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.783 0 O-C-N 122.1 -0.375 . . . . 0.0 110.881 169.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.5 t -73.92 -39.28 51.38 Favored 'Isoleucine or valine' 0 C--N 1.339 0.132 0 O-C-N 121.574 -0.704 . . . . 0.0 110.649 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -55.37 -41.59 72.8 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 120.091 -0.643 . . . . 0.0 109.789 169.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.73 -44.69 96.42 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 118.919 -0.562 . . . . 0.0 111.686 173.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 30.8 mmt -54.78 -55.32 31.35 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 119.286 0.948 . . . . 0.0 110.498 176.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -48.38 -58.6 4.37 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.964 0.888 . . . . 0.0 110.401 173.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.3 5.39 1.74 Allowed 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 118.466 -1.293 . . . . 0.0 112.997 -172.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 43.6 tp -56.69 -20.33 21.19 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 120.369 -1.457 . . . . 0.0 109.457 166.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -48.17 -26.69 2.01 Favored 'General case' 0 C--N 1.345 0.391 0 C-N-CA 124.073 0.949 . . . . 0.0 112.723 168.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.31 -21.34 14.43 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.291 1.436 . . . . 0.0 112.953 174.578 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -27.66 -75.71 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 126.663 1.985 . . . . 0.0 115.953 -169.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.92 43.5 2.26 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 119.606 1.094 . . . . 0.0 108.16 168.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.9 t0 8.79 53.74 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 130.706 3.602 . . . . 0.0 115.954 -168.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 173.18 175.48 0.11 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 128.528 2.731 . . . . 0.0 106.05 175.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 33.92 78.03 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 126.895 2.078 . . . . 0.0 113.173 169.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.1 m -91.17 127.84 43.32 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 174.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -93.66 171.03 9.14 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 126.987 2.115 . . . . 0.0 109.834 -179.175 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -51.83 -48.49 63.91 Favored 'General case' 0 C--O 1.217 -0.623 0 C-N-CA 123.716 0.806 . . . . 0.0 110.915 -175.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.65 -51.0 30.54 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.721 0.808 . . . . 0.0 111.748 177.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -60.4 -58.79 6.98 Favored 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 121.689 -0.632 . . . . 0.0 109.612 177.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -51.41 -44.18 62.17 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.378 1.071 . . . . 0.0 112.113 -177.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 8.7 tp -78.3 -39.8 24.67 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 O-C-N 121.418 -0.801 . . . . 0.0 108.847 -173.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 42.9 m -50.58 -47.77 57.9 Favored 'General case' 0 C--N 1.345 0.371 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 169.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -50.16 -67.52 0.25 Allowed 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 124.828 1.251 . . . . 0.0 110.968 175.216 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -38.87 -48.41 1.55 Allowed 'General case' 0 C--O 1.223 -0.303 0 C-N-CA 124.716 1.206 . . . . 0.0 111.863 171.246 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.49 -56.41 23.72 Favored Glycine 0 CA--C 1.525 0.698 0 C-N-CA 124.63 1.11 . . . . 0.0 111.457 178.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.39 -56.54 20.23 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -178.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -53.9 -49.74 67.92 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 122.978 0.511 . . . . 0.0 110.204 -177.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.71 -53.15 42.42 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-N 118.723 0.692 . . . . 0.0 111.255 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 71.0 mtp -55.32 -29.58 58.56 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 118.438 0.563 . . . . 0.0 112.413 177.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 71.8 mt -91.17 -38.08 10.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 C-N-CA 125.616 1.567 . . . . 0.0 112.486 -169.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 14.6 p90 -93.85 -48.63 6.2 Favored 'General case' 0 C--N 1.341 0.211 0 C-N-CA 124.134 0.974 . . . . 0.0 113.007 174.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -78.36 27.39 0.2 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.299 1.439 . . . . 0.0 113.005 -170.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.447 ' CD ' ' HZ3' ' A' ' 89' ' ' LYS . 22.0 tp10 -19.73 91.59 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 129.438 3.095 . . . . 0.0 113.616 -177.298 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -179.2 -46.87 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 126.0 1.72 . . . . 0.0 108.734 -173.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.9 mp -50.6 -37.13 38.36 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.331 1.052 . . . . 0.0 110.068 172.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.447 ' HZ3' ' CD ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -149.83 142.69 24.75 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 104.305 -2.48 . . . . 0.0 104.305 169.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.366 0 N-CA-C 110.372 -1.091 . . . . 0.0 110.372 175.547 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.0 ppp? . . . . . 0 N--CA 1.451 -0.407 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 59.33 25.73 14.45 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.742 1.217 . . . . 0.0 111.833 -169.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 54.7 p -80.9 179.53 1.87 Allowed Pre-proline 0 CA--C 1.538 0.514 0 C-N-CA 126.518 1.927 . . . . 0.0 108.414 175.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_exo -47.99 129.59 18.45 Favored 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 122.354 2.036 . . . . 0.0 113.134 -174.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 37.9 mt 74.35 -50.31 0.68 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 127.513 2.325 . . . . 0.0 112.113 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.97 -32.49 33.73 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.197 0.999 . . . . 0.0 110.241 171.16 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -44.28 -23.8 0.13 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.166 1.787 . . . . 0.0 114.763 169.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.43 -51.1 64.87 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 120.802 1.637 . . . . 0.0 110.764 169.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 4.5 mp -60.23 -47.08 93.6 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 173.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -44.8 -49.19 9.05 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 124.309 0.957 . . . . 0.0 112.147 172.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 63.1 tp -62.72 -47.97 81.27 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 117.93 0.865 . . . . 0.0 110.215 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 96.1 mt -57.06 -44.7 83.26 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 118.412 0.551 . . . . 0.0 111.104 177.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 94.4 mt -60.25 -42.5 90.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 123.278 0.631 . . . . 0.0 109.842 174.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.37 -61.3 7.37 Favored Glycine 0 CA--C 1.524 0.613 0 C-N-CA 124.655 1.122 . . . . 0.0 110.54 176.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 35.8 mm -53.11 -52.81 26.55 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 CA-C-N 117.786 0.793 . . . . 0.0 109.716 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -42.21 -65.44 0.46 Allowed 'General case' 0 C--N 1.339 0.146 0 C-N-CA 123.693 0.797 . . . . 0.0 110.87 172.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . 0.4 1.1 m-70 -79.53 3.27 19.28 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 115.559 1.688 . . . . 0.0 115.559 -177.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.33 -32.49 62.83 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 106.037 -1.838 . . . . 0.0 106.037 163.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -102.28 42.0 1.18 Allowed 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 126.417 1.887 . . . . 0.0 109.925 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 57.3 m -67.59 -14.89 63.33 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 116.409 2.003 . . . . 0.0 116.409 -172.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.41 68.31 0.74 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 105.038 -3.225 . . . . 0.0 105.038 -165.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 26.2 mtmm -56.46 -51.01 70.06 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 125.592 1.557 . . . . 0.0 113.07 -168.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.07 -58.53 1.9 Allowed 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 127.002 2.121 . . . . 0.0 110.138 -167.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.54 -72.79 0.52 Allowed Glycine 0 CA--C 1.528 0.863 0 C-N-CA 124.617 1.103 . . . . 0.0 111.635 -172.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -163.8 152.08 13.26 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 107.032 -1.469 . . . . 0.0 107.032 169.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.71 115.82 31.16 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.521 1.528 . . . . 0.0 112.613 -166.313 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 1.1 p80 179.33 -36.06 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.337 1.055 . . . . 0.0 113.569 174.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 3.1 p -136.14 170.76 15.5 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 -169.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 11.9 mt -73.35 73.94 1.35 Allowed 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.085 -1.079 . . . . 0.0 108.085 169.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 47.1 m -67.99 72.34 0.17 Allowed 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.771 1.228 . . . . 0.0 113.165 -174.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 21.8 mttm 67.51 -70.25 0.12 Allowed 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 127.211 2.204 . . . . 0.0 113.476 168.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.418 ' NZ ' ' OE2' ' B' ' 33' ' ' GLU . 0.0 OUTLIER -62.67 -50.53 70.82 Favored 'General case' 0 C--O 1.226 -0.181 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 -174.534 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.418 ' OE2' ' NZ ' ' B' ' 32' ' ' LYS . 0.4 OUTLIER -47.6 -44.06 26.23 Favored 'General case' 0 N--CA 1.462 0.136 0 C-N-CA 125.484 1.513 . . . . 0.0 110.821 172.183 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.4 -45.97 85.3 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 -179.182 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 39.9 mmtt -66.64 -30.15 70.35 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 120.864 -1.148 . . . . 0.0 112.363 176.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -50.5 -43.35 55.6 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.086 1.754 . . . . 0.0 108.577 168.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.35 -58.86 4.02 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.301 1.441 . . . . 0.0 111.321 171.224 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . 0.255 1.4 pt -56.49 -46.02 82.19 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.561 0 CA-C-N 118.356 0.525 . . . . 0.0 112.409 -168.304 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -68.92 -40.68 78.91 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 118.51 -1.276 . . . . 0.0 109.715 -169.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -92.83 -86.77 0.24 Allowed 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 -172.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 37.1 mp0 -78.11 -27.81 48.44 Favored 'General case' 0 C--N 1.341 0.199 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 -165.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -29.22 -61.85 0.13 Allowed 'General case' 0 C--N 1.34 0.18 0 N-CA-C 117.218 2.303 . . . . 0.0 117.218 -168.335 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 12.3 t -151.48 129.98 12.18 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 -166.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 6.0 pt -140.19 -112.3 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 N-CA-C 106.876 -1.527 . . . . 0.0 106.876 169.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 34.52 -118.52 0.27 Allowed Glycine 0 CA--C 1.528 0.887 0 C-N-CA 125.365 1.46 . . . . 0.0 112.363 177.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 22.7 m -100.72 26.77 6.46 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -174.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 4.5 tmtp? -62.38 -39.29 92.7 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 169.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 58.4 tp 63.93 -78.13 0.03 OUTLIER 'General case' 0 C--N 1.34 0.166 0 C-N-CA 126.574 1.95 . . . . 0.0 110.916 172.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 18.0 tp60 -82.55 66.97 8.41 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 176.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -87.53 -136.15 0.09 Allowed 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 167.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . 97.21 147.42 0.02 OUTLIER 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 128.643 2.777 . . . . 0.0 108.525 -169.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -52.74 -39.22 61.96 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.412 1.085 . . . . 0.0 110.029 176.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 38.7 mm -47.41 -43.38 8.52 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 C-N-CA 124.232 1.013 . . . . 0.0 110.62 170.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 38.1 t -86.37 -30.16 6.08 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.257 0 CA-C-O 118.544 -0.741 . . . . 0.0 111.349 178.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -58.28 -24.73 60.44 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 120.28 1.4 . . . . 0.0 111.03 171.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.28 -29.95 25.63 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.698 -0.626 . . . . 0.0 111.062 169.267 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 25.2 ttt -76.21 -52.16 10.61 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.193 -0.942 . . . . 0.0 109.89 169.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.25 -12.37 2.31 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 176.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -65.93 -1.67 3.23 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.715 0.806 . . . . 0.0 111.366 167.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -56.85 -6.53 0.34 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.489 1.516 . . . . 0.0 114.946 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -52.46 -24.55 8.14 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 122.258 1.027 . . . . 0.0 109.448 163.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 35.1 ttm-85 -47.55 -27.99 2.06 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 125.411 1.484 . . . . 0.0 112.896 170.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -47.85 -34.89 9.42 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.258 0.623 . . . . 0.0 112.09 173.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . 0.409 ' HZ3' ' CD ' ' B' ' 72' ' ' GLU . 0.5 OUTLIER -119.07 50.73 1.19 Allowed 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 107.818 -1.179 . . . . 0.0 107.818 175.581 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 16.3 t0 28.93 51.92 0.07 Allowed 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 126.394 1.878 . . . . 0.0 112.873 -175.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 57.9 29.63 17.88 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.451 -0.78 . . . . 0.0 111.03 168.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -127.87 57.56 1.53 Allowed 'General case' 0 C--O 1.234 0.288 0 C-N-CA 124.985 1.314 . . . . 0.0 109.293 -169.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 32.1 m -91.24 132.38 35.91 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 CA-C-O 121.158 0.504 . . . . 0.0 111.163 -169.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -85.8 175.52 8.63 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.189 1.396 . . . . 0.0 107.696 168.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -52.81 -44.7 66.84 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 119.372 0.987 . . . . 0.0 111.939 -172.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -54.93 -50.94 67.62 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 118.291 0.496 . . . . 0.0 109.766 178.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.409 ' CD ' ' HZ3' ' B' ' 64' ' ' LYS . 41.8 mt-10 -68.59 -47.4 66.84 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.231 1.012 . . . . 0.0 109.805 -172.273 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -49.66 -52.12 33.2 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 124.558 1.143 . . . . 0.0 109.664 169.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 11.8 mm -61.56 -51.7 69.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 CA-C-O 118.688 -0.673 . . . . 0.0 110.096 -178.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 90.5 m -49.8 -49.97 46.64 Favored 'General case' 0 CA--C 1.523 -0.064 0 CA-C-N 119.397 0.999 . . . . 0.0 110.117 177.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -56.82 -53.93 52.18 Favored 'General case' 0 N--CA 1.445 -0.689 0 C-N-CA 124.549 1.14 . . . . 0.0 111.372 179.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 78.0 mt -54.53 -58.97 5.42 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 173.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -34.32 -51.56 0.72 Allowed Glycine 0 CA--C 1.528 0.854 0 C-N-CA 127.731 2.586 . . . . 0.0 113.918 173.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.23 -42.02 76.64 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 117.823 0.812 . . . . 0.0 111.444 -179.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 48.7 mt -82.77 -29.58 29.56 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.095 0.558 . . . . 0.0 110.578 178.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -49.67 -57.81 6.51 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 125.411 1.484 . . . . 0.0 113.229 -168.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 67.9 mmm -66.6 -12.57 58.58 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.771 0.714 . . . . 0.0 112.786 -178.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 36.0 mt -84.32 -62.37 1.5 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 171.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -90.25 -43.36 10.44 Favored 'General case' 0 C--N 1.339 0.109 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 -169.434 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -87.04 27.91 0.97 Allowed 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 127.034 2.134 . . . . 0.0 112.911 -166.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.543 ' HB2' ' OXT' ' B' ' 90' ' ' GLY . 10.1 pt-20 -45.85 -30.21 1.62 Allowed 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 119.355 0.979 . . . . 0.0 111.629 172.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.1 -26.57 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 127.454 2.301 . . . . 0.0 113.778 169.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 21.2 mt -39.39 -39.39 0.66 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.186 1.394 . . . . 0.0 111.238 168.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -152.74 -27.88 0.15 Allowed 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 114.56 1.319 . . . . 0.0 114.56 176.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . 0.543 ' OXT' ' HB2' ' B' ' 86' ' ' GLU . . . . . . . . 0 C--O 1.27 2.37 0 C-N-CA 125.646 1.593 . . . . 0.0 110.827 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.3 mtm . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.76 -0.089 . . . . 0.0 110.76 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.17 -84.14 0.58 Allowed 'General case' 0 C--N 1.339 0.121 0 C-N-CA 123.529 0.732 . . . . 0.0 109.838 -177.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.0 m -158.97 145.19 12.41 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 105.823 -1.917 . . . . 0.0 105.823 171.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -43.3 -58.32 1.42 Allowed 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 123.712 2.941 . . . . 0.0 114.763 -169.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -39.47 89.54 Favored 'General case' 0 CA--C 1.53 0.21 0 O-C-N 122.003 -0.436 . . . . 0.0 112.087 -175.447 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -64.08 -54.55 32.24 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -48.74 -53.02 20.63 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 126.028 1.731 . . . . 0.0 109.92 175.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.61 -60.18 4.08 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -179.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 22.5 mm -54.19 -48.87 65.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 -177.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -51.65 -53.57 28.6 Favored Glycine 0 CA--C 1.526 0.779 0 C-N-CA 124.357 0.98 . . . . 0.0 111.648 174.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -58.4 -55.23 37.73 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.01 0.905 . . . . 0.0 109.566 -177.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -59.21 -52.16 66.9 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.645 0.378 . . . . 0.0 111.083 -176.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 49.7 mt -61.8 -42.82 95.97 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 118.121 0.419 . . . . 0.0 110.02 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.67 -59.61 9.91 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 111.696 -0.562 . . . . 0.0 111.696 -178.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.1 mt -53.73 -41.96 49.68 Favored 'Isoleucine or valine' 0 C--N 1.341 0.205 0 CA-C-O 118.143 -0.932 . . . . 0.0 111.869 -169.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -32.14 -68.36 0.09 Allowed 'General case' 0 C--N 1.342 0.259 0 C-N-CA 124.828 1.251 . . . . 0.0 110.079 172.293 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -91.1 10.41 26.97 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -169.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.6 tttt -53.18 -42.03 65.82 Favored 'General case' 0 C--N 1.342 0.251 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 170.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -73.42 83.07 1.45 Allowed 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 169.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.2 m 138.93 11.58 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.614 1 C-N-CA 131.898 4.079 . . . . 0.0 111.057 -172.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 68.58 19.96 73.41 Favored Glycine 0 CA--C 1.527 0.835 0 O-C-N 121.043 -1.035 . . . . 0.0 112.347 178.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.2 ttpp 54.14 44.42 29.21 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.913 0.885 . . . . 0.0 111.049 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.0 -68.15 0.21 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 126.273 1.829 . . . . 0.0 114.505 -169.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -139.36 15.38 3.2 Favored Glycine 0 CA--C 1.53 1.007 0 C-N-CA 125.997 1.76 . . . . 0.0 111.054 173.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 58.27 34.9 24.51 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 126.638 1.975 . . . . 0.0 111.446 -179.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -146.93 74.97 1.37 Allowed 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 -168.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 22.0 p80 179.07 151.17 0.32 Allowed 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 124.513 1.125 . . . . 0.0 109.592 166.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.76 154.61 32.77 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.518 1.127 . . . . 0.0 109.27 168.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -104.66 -177.42 3.36 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 167.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 79.0 p -113.04 162.03 16.38 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 168.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.54 -28.27 53.79 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -171.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.2 pttm -66.26 -29.97 70.32 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 118.288 -0.863 . . . . 0.0 112.4 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -70.73 -51.92 24.24 Favored 'General case' 0 C--N 1.342 0.242 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 169.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -50.45 -46.59 56.79 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.433 -175.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -41.72 -43.03 2.74 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.845 1.658 . . . . 0.0 112.5 174.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.08 -41.85 27.75 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 117.873 0.306 . . . . 0.0 111.229 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.9 tt -57.73 -59.9 4.5 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 125.307 1.443 . . . . 0.0 110.459 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.2 tt -54.26 -57.74 5.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 C-N-CA 124.599 1.159 . . . . 0.0 111.571 -169.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -81.59 -31.69 32.43 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -168.555 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.6 mtmm -77.88 -55.58 5.19 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 118.335 -1.346 . . . . 0.0 110.001 -178.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -91.99 -57.44 2.72 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -169.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -70.79 -56.98 5.12 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 -167.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 68.7 p -76.3 101.17 5.37 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -168.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 19.2 mt -78.11 59.92 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 N-CA-C 106.508 -1.664 . . . . 0.0 106.508 167.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 46.7 -129.03 11.48 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 106.331 -2.708 . . . . 0.0 106.331 -165.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.7 m -129.51 44.67 2.93 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 104.933 -2.247 . . . . 0.0 104.933 167.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . 0.324 0.0 OUTLIER 49.3 48.23 21.34 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.332 1.453 . . . . 0.0 110.651 -165.71 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.8 mm? 63.22 170.61 0.15 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.957 1.703 . . . . 0.0 111.414 -176.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 57.7 47.11 16.23 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.964 0.906 . . . . 0.0 109.264 -169.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.44 171.16 14.25 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 125.237 1.415 . . . . 0.0 111.445 -178.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -147.4 92.12 2.06 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.615 1.166 . . . . 0.0 109.108 174.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.419 ' CD ' ' HZ2' ' A' ' 55' ' ' LYS . 9.9 mm-40 -46.45 -43.3 16.43 Favored 'General case' 0 C--O 1.225 -0.199 0 C-N-CA 124.679 1.192 . . . . 0.0 112.492 -178.374 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.9 mp -55.77 -46.98 79.96 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 123.178 0.591 . . . . 0.0 109.823 176.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 64.7 t -67.35 -45.84 85.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 -176.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.419 ' HZ2' ' CD ' ' A' ' 52' ' ' GLU . 53.3 mtmt -58.7 -42.85 89.57 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 117.705 0.229 . . . . 0.0 110.914 177.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.1 tp -61.82 -46.03 91.27 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.831 0.453 . . . . 0.0 110.256 177.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 50.8 ttm -58.66 -53.35 59.29 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 177.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -53.69 -43.87 69.27 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.348 1.859 . . . . 0.0 110.83 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -56.02 -70.83 0.1 Allowed 'General case' 0 C--O 1.224 -0.273 0 CA-C-O 121.25 0.548 . . . . 0.0 110.632 170.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 97.2 mt -55.73 -39.07 70.61 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 123.929 0.892 . . . . 0.0 112.628 -169.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -45.1 -34.55 2.65 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 123.85 0.86 . . . . 0.0 111.844 174.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 26.5 ptt-85 -41.94 -40.03 2.04 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.79 1.236 . . . . 0.0 114.297 -175.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -43.75 24.08 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.812 1 C-N-CA 133.414 4.686 . . . . 0.0 120.787 -168.358 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -88.31 -8.09 55.7 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 120.54 -1.35 . . . . 0.0 112.505 -169.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -105.72 -63.52 1.24 Allowed 'General case' 0 C--N 1.342 0.275 0 CA-C-N 119.498 1.045 . . . . 0.0 109.089 173.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -154.08 -61.53 0.13 Allowed 'General case' 0 CA--C 1.522 -0.096 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -169.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -164.27 -59.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -168.21 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.4 p -160.49 83.89 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 124.472 1.109 . . . . 0.0 110.13 168.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -97.34 174.89 6.47 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.818 2.047 . . . . 0.0 108.985 168.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -53.47 -53.58 49.29 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 120.289 1.404 . . . . 0.0 111.235 -176.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -47.41 -37.75 12.02 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 124.171 0.988 . . . . 0.0 111.294 175.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -77.2 -65.72 0.92 Allowed 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 -176.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -36.52 -56.26 0.81 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.991 2.117 . . . . 0.0 112.658 173.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 10.1 tp -60.53 -25.48 34.7 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 C-N-CA 123.56 0.744 . . . . 0.0 112.301 -175.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 94.8 m -49.17 -64.8 0.7 Allowed 'General case' 0 C--N 1.342 0.282 0 C-N-CA 124.063 0.945 . . . . 0.0 111.439 -170.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -73.15 -40.31 64.97 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.074 -176.335 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -37.62 -48.52 1.04 Allowed 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.853 0.861 . . . . 0.0 111.025 169.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -51.6 -62.45 5.52 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 123.616 0.627 . . . . 0.0 112.608 173.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.24 -48.44 81.44 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.817 0.818 . . . . 0.0 110.822 -175.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -54.93 -49.56 71.02 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 124.089 0.956 . . . . 0.0 109.613 177.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.9 -54.22 49.08 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 119.224 0.92 . . . . 0.0 110.707 174.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 11.6 tmm? -44.76 -50.6 10.02 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.587 1.555 . . . . 0.0 110.3 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 84.1 mt -80.91 -54.75 9.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 123.887 0.875 . . . . 0.0 111.261 -173.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . 0.351 0.1 OUTLIER -73.13 -27.11 61.49 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -168.653 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -70.29 -45.35 66.49 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 118.795 -1.162 . . . . 0.0 111.666 -169.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 178.57 -170.78 0.11 Allowed 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 129.931 3.292 . . . . 0.0 104.622 -175.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -78.03 56.5 1.62 Allowed 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 119.477 1.035 . . . . 0.0 108.353 169.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 11.7 mt 59.51 53.9 4.87 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 124.89 1.276 . . . . 0.0 109.261 -168.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.7 130.69 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.808 1.643 . . . . 0.0 109.766 -173.072 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.411 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 -169.122 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.537 0.443 0 N-CA-C 112.513 0.561 . . . . 0.0 112.513 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.8 -105.03 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.224 0.61 . . . . 0.0 110.99 -174.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 66.7 m -70.79 157.22 90.73 Favored Pre-proline 0 CA--C 1.535 0.388 0 CA-C-O 118.528 -0.749 . . . . 0.0 109.974 -179.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -42.97 -41.34 8.98 Favored 'Trans proline' 0 CA--C 1.535 0.542 0 C-N-CA 124.116 3.211 . . . . 0.0 115.738 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 59.3 tp -67.42 -43.29 81.6 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.103 0.561 . . . . 0.0 110.858 176.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -67.13 -36.7 82.46 Favored 'General case' 0 C--O 1.222 -0.349 0 O-C-N 122.104 -0.372 . . . . 0.0 110.151 178.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -58.39 -51.86 68.04 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.148 0.579 . . . . 0.0 109.754 170.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.39 -58.72 6.58 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 122.613 0.365 . . . . 0.0 111.21 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 96.4 mt -54.46 -45.22 69.95 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 175.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.68 -44.33 23.17 Favored Glycine 0 CA--C 1.522 0.499 0 C-N-CA 126.619 2.056 . . . . 0.0 112.186 175.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -62.65 -49.59 74.55 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 118.939 1.37 . . . . 0.0 110.124 176.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 64.1 mt -57.59 -42.6 83.47 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 120.69 0.281 . . . . 0.0 110.32 179.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 82.2 mt -63.76 -42.57 96.38 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 C-N-CA 123.403 0.681 . . . . 0.0 109.648 174.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -41.15 -66.67 0.88 Allowed Glycine 0 C--N 1.334 0.442 0 C-N-CA 126.242 1.877 . . . . 0.0 109.58 169.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 29.5 mm -60.48 -33.86 55.92 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 123.976 0.91 . . . . 0.0 110.999 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -51.7 -48.12 63.66 Favored 'General case' 0 C--O 1.225 -0.216 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 178.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . 0.31 0.1 OUTLIER -93.52 21.79 5.94 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 115.919 1.822 . . . . 0.0 115.919 169.669 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -61.78 -33.62 74.42 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 104.728 -2.323 . . . . 0.0 104.728 163.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . 0.527 ' CE1' ' CB ' ' B' ' 37' ' ' LEU . 81.2 m-85 -65.53 108.82 2.14 Favored 'General case' 0 N--CA 1.439 -0.984 0 N-CA-C 105.604 -1.999 . . . . 0.0 105.604 164.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 19.1 m 89.48 12.99 0.06 Allowed 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 127.685 2.394 . . . . 0.0 112.577 -168.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 74.97 -42.08 1.31 Allowed Glycine 0 CA--C 1.531 1.052 0 C-N-CA 125.236 1.398 . . . . 0.0 114.981 169.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.66 163.42 38.57 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 124.382 1.073 . . . . 0.0 110.605 -167.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -62.35 175.92 0.69 Allowed 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 127.352 2.261 . . . . 0.0 108.649 169.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 62.09 74.98 0.34 Allowed Glycine 0 N--CA 1.449 -0.474 0 N-CA-C 105.923 -2.871 . . . . 0.0 105.923 -168.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -163.01 -173.26 3.37 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 123.079 0.552 . . . . 0.0 110.444 -171.086 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -67.77 108.1 2.84 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 175.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 21.5 m170 -75.3 64.49 1.5 Allowed 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 171.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 159.61 115.52 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 131.565 3.946 . . . . 0.0 105.025 -176.455 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -94.61 129.24 41.54 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 -168.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 70.7 m -89.17 163.48 15.42 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 123.281 0.632 . . . . 0.0 109.426 175.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -45.25 -43.26 10.27 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -53.75 53.71 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 122.632 0.373 . . . . 0.0 110.965 -174.393 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -53.84 -49.1 69.19 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 170.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.24 -43.45 64.33 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 111.949 0.352 . . . . 0.0 111.949 -175.192 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.18 -23.37 3.26 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.19 0.996 . . . . 0.0 112.634 179.068 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -55.1 15.06 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 119.538 1.063 . . . . 0.0 111.28 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.527 ' CB ' ' CE1' ' B' ' 19' ' ' TYR 0.287 0.4 OUTLIER -90.93 -39.82 12.06 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -169.209 . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 13.9 pt -53.62 -35.36 25.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -167.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -54.23 -27.87 37.51 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 178.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 44.1 tttm -81.27 -58.81 2.88 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 122.795 0.438 . . . . 0.0 110.08 170.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -68.28 -25.94 65.4 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 114.85 1.426 . . . . 0.0 114.85 -166.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 96.7 mt -69.34 26.78 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.361 1.464 . . . . 0.0 113.3 175.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -54.56 9.09 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 128.745 2.818 . . . . 0.0 118.265 -167.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 5.4 mt 74.52 -51.19 0.22 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.177 0 C-N-CA 128.912 2.885 . . . . 0.0 113.802 167.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.83 -72.42 0.53 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -169.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 14.2 m -166.45 97.51 0.58 Allowed 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.599 1.159 . . . . 0.0 109.644 -174.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . 0.419 ' NZ ' ' OD2' ' B' ' 50' ' ' ASP . 0.0 OUTLIER 53.22 60.69 3.58 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.845 0.858 . . . . 0.0 111.605 168.393 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 8.6 tt -129.29 -65.3 0.86 Allowed 'General case' 0 N--CA 1.461 0.11 0 C-N-CA 124.138 0.975 . . . . 0.0 108.64 175.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 24.6 mm100 -77.42 67.8 3.42 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 125.016 1.326 . . . . 0.0 107.621 172.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.419 ' OD2' ' NZ ' ' B' ' 47' ' ' LYS . 78.3 m-20 -64.63 79.32 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.261 1.824 . . . . 0.0 112.11 -173.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . 28.17 -89.05 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 127.957 2.503 . . . . 0.0 114.208 169.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 40.9 tp10 -39.62 -54.48 2.01 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.537 1.535 . . . . 0.0 111.625 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 14.2 pt -90.48 8.49 3.65 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -172.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 2.6 t -43.52 -51.01 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-N 119.857 1.208 . . . . 0.0 113.388 -171.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -67.45 -31.71 72.07 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 122.87 0.106 . . . . 0.0 110.807 -175.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -72.77 -48.95 34.04 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 175.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 11.7 tpt -58.19 -41.28 83.61 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 -178.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -49.65 -62.63 1.45 Allowed 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.154 1.381 . . . . 0.0 110.259 170.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.97 -15.34 60.18 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -172.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 23.4 tp -66.84 -61.21 2.07 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 124.401 1.081 . . . . 0.0 109.835 -175.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -52.26 -43.26 64.27 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 122.579 0.352 . . . . 0.0 110.906 -171.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 5.5 ptt-85 -78.03 -99.6 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.0 -0.545 . . . . 0.0 112.061 -174.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -86.55 0.55 54.12 Favored 'General case' 0 C--O 1.224 -0.246 0 O-C-N 121.057 -1.027 . . . . 0.0 113.242 -167.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 14.8 mmtm 65.77 51.13 1.46 Allowed 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 -169.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . 0.33 6.4 t0 60.48 97.84 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 128.575 2.75 . . . . 0.0 114.6 -169.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -178.15 -164.63 0.08 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.165 1.386 . . . . 0.0 108.942 174.427 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -74.28 176.14 6.95 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.642 0.777 . . . . 0.0 109.522 -178.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 5.2 t -128.88 125.81 63.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -167.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -94.04 171.2 9.0 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.033 0.933 . . . . 0.0 110.735 169.213 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -57.08 -48.77 77.79 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-O 119.229 -0.415 . . . . 0.0 110.43 -177.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 7.9 tm0? -52.57 -51.21 60.85 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -54.93 -62.96 1.32 Allowed 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 118.205 0.457 . . . . 0.0 110.218 176.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -43.64 -58.33 2.72 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.961 0.904 . . . . 0.0 110.639 -179.122 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 11.3 tp -69.96 -41.33 79.39 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 O-C-N 122.119 -0.363 . . . . 0.0 110.346 -170.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 87.3 m -63.73 -47.48 80.89 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 -178.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -58.18 -60.33 3.91 Favored 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 125.577 1.551 . . . . 0.0 110.883 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 22.7 mt -59.02 -36.73 75.47 Favored 'General case' 0 C--O 1.225 -0.196 0 O-C-N 122.096 -0.378 . . . . 0.0 110.366 177.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.85 -48.69 76.45 Favored Glycine 0 CA--C 1.526 0.72 0 C-N-CA 124.048 0.833 . . . . 0.0 111.203 174.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.12 -49.6 73.76 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 117.811 0.806 . . . . 0.0 109.856 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 46.1 mt -57.52 -47.28 82.39 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 178.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.9 -49.68 76.72 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.198 0.999 . . . . 0.0 110.705 178.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 30.1 ttp -50.78 -55.4 16.96 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.892 0.877 . . . . 0.0 109.879 175.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 89.0 mt -58.27 -54.24 35.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 123.086 0.555 . . . . 0.0 110.064 -178.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . 0.351 2.0 p90 -81.61 -6.37 58.94 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 -173.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -85.34 -108.21 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 105.791 -1.929 . . . . 0.0 105.791 166.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 175.56 -60.76 0.01 OUTLIER 'General case' 0 C--O 1.236 0.361 0 C-N-CA 127.552 2.341 . . . . 0.0 108.711 168.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -37.04 -43.62 0.48 Allowed 'General case' 0 C--O 1.225 -0.185 0 C-N-CA 127.455 2.302 . . . . 0.0 113.868 -167.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 6.4 mp -51.29 -36.59 43.08 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 124.561 1.144 . . . . 0.0 111.811 -172.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? -172.38 -62.14 0.02 OUTLIER 'General case' 0 CA--C 1.52 -0.185 0 C-N-CA 125.628 1.571 . . . . 0.0 106.897 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.371 0 N-CA-C 107.579 -2.208 . . . . 0.0 107.579 169.672 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.539 0.548 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 90.62 35.33 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 127.948 2.499 . . . . 0.0 111.747 177.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.63 175.6 0.61 Allowed Pre-proline 0 CA--C 1.542 0.66 0 C-N-CA 125.406 1.483 . . . . 0.0 109.233 168.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -52.53 -70.78 0.05 OUTLIER 'Trans proline' 0 CA--C 1.542 0.909 0 C-N-CA 121.954 1.769 . . . . 0.0 114.232 -176.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 78.9 mt -63.69 -52.56 60.1 Favored 'General case' 0 C--O 1.226 -0.168 0 O-C-N 121.526 -0.734 . . . . 0.0 109.694 -177.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -31.64 -61.51 0.22 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 127.806 2.442 . . . . 0.0 111.851 169.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -60.38 -49.27 78.25 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.667 1.187 . . . . 0.0 111.352 -179.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.28 -48.77 80.33 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 118.225 0.466 . . . . 0.0 110.907 -178.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 93.1 mt -53.02 -56.91 5.73 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 C-N-CA 124.646 1.178 . . . . 0.0 108.324 174.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.6 -51.26 12.8 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 124.459 1.028 . . . . 0.0 111.924 176.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.1 tt -57.52 -52.61 64.69 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.686 0.794 . . . . 0.0 110.244 178.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.2 mt -60.21 -48.09 83.22 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 122.72 0.408 . . . . 0.0 111.329 -176.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.3 mp -66.17 -39.4 84.24 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 177.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.07 -56.7 17.66 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.005 -1.238 . . . . 0.0 110.005 175.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.5 mt -59.38 -47.46 90.52 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 123.014 0.525 . . . . 0.0 110.277 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -45.61 -61.93 1.5 Allowed 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 119.001 0.819 . . . . 0.0 111.461 170.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . 0.284 0.1 OUTLIER -80.94 -36.87 30.4 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 -167.437 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -33.77 67.01 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 120.463 1.483 . . . . 0.0 112.201 -170.389 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -66.14 -4.19 7.03 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 112.856 0.688 . . . . 0.0 112.856 178.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.8 m -65.95 -10.38 38.53 Favored 'General case' 0 CA--C 1.538 0.481 0 O-C-N 121.624 -0.672 . . . . 0.0 110.939 167.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.88 -66.74 3.79 Favored Glycine 0 C--N 1.341 0.828 0 N-CA-C 107.08 -2.408 . . . . 0.0 107.08 -179.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.6 tttm -118.56 135.9 54.16 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 104.723 -2.325 . . . . 0.0 104.723 167.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -98.31 -167.03 1.44 Allowed 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 125.325 1.45 . . . . 0.0 108.052 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.1 -51.72 4.16 Favored Glycine 0 CA--C 1.529 0.907 0 O-C-N 121.359 -0.838 . . . . 0.0 111.146 -177.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.84 -85.31 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.028 0.931 . . . . 0.0 111.749 177.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -72.53 106.73 4.71 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 123.97 0.908 . . . . 0.0 110.183 -175.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 52.5 m170 -80.1 -39.19 30.12 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 124.36 1.064 . . . . 0.0 109.419 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.54 -178.04 5.63 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 128.034 2.534 . . . . 0.0 108.008 167.487 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.6 mp -138.09 132.21 31.7 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 119.423 1.01 . . . . 0.0 108.601 169.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.0 p -81.92 58.66 3.98 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 121.71 -0.619 . . . . 0.0 112.521 -169.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.4 ' NZ ' ' OE2' ' A' ' 67' ' ' GLU . 14.3 mtmm 61.86 -70.78 0.05 OUTLIER 'General case' 0 C--O 1.225 -0.188 0 C-N-CA 127.121 2.168 . . . . 0.0 113.361 176.499 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -40.22 -52.16 2.64 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 126.218 1.807 . . . . 0.0 110.24 -174.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.7 mp0 -56.16 -43.73 78.62 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 125.364 1.465 . . . . 0.0 110.288 -177.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.7 mt -81.96 -29.01 32.41 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-O 117.53 -1.224 . . . . 0.0 111.549 176.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 45.5 tptt -57.78 -47.53 82.27 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 121.431 1.923 . . . . 0.0 109.713 177.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -44.16 -55.23 4.95 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.925 1.29 . . . . 0.0 110.83 170.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 tt -65.57 -74.24 0.11 Allowed 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 125.269 1.427 . . . . 0.0 111.806 -178.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.4 pp -42.95 -56.76 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 C-N-CA 126.991 2.116 . . . . 0.0 111.902 -167.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -61.32 -49.39 77.18 Favored 'General case' 0 N--CA 1.443 -0.821 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 -170.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.6 mtmm -77.01 -59.58 2.72 Favored 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 119.779 -0.768 . . . . 0.0 110.251 -173.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -84.03 -28.69 27.48 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -167.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 31.8 mt -92.32 -63.0 1.29 Allowed 'General case' 0 C--N 1.339 0.133 0 CA-C-N 119.343 0.974 . . . . 0.0 112.049 178.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.8 p -59.89 156.33 14.63 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -167.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.26 10.0 tt 39.65 60.78 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.184 0 C-N-CA 126.865 2.066 . . . . 0.0 111.346 177.108 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 48.22 52.71 17.29 Favored Glycine 0 CA--C 1.527 0.805 0 CA-C-N 112.857 -1.974 . . . . 0.0 111.289 -179.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.1 m 60.84 64.44 1.15 Allowed 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.34 0.656 . . . . 0.0 111.323 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.3 42.25 31.56 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.497 1.519 . . . . 0.0 113.211 177.28 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 51.2 tp -60.7 -33.8 73.41 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 121.931 -0.48 . . . . 0.0 110.842 177.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -135.21 -57.5 0.8 Allowed 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.5 0.72 . . . . 0.0 111.399 178.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.4 t0 66.44 162.15 0.16 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.364 1.466 . . . . 0.0 110.174 -168.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -170.73 151.02 3.38 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 127.277 2.231 . . . . 0.0 107.086 176.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -52.54 -45.78 66.49 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 122.873 0.469 . . . . 0.0 109.893 178.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 41.0 mm -49.3 -50.25 16.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.614 171.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 65.7 t -63.78 -51.08 74.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 118.782 0.719 . . . . 0.0 109.79 -175.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -69.07 -17.69 63.91 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -176.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 69.0 mt -83.69 -43.45 15.53 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 118.44 0.564 . . . . 0.0 110.629 169.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 21.2 mmt -73.82 -45.92 48.39 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-O 119.471 -0.3 . . . . 0.0 111.733 -172.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 53.4 p-10 -29.24 -61.24 0.14 Allowed 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 126.074 1.75 . . . . 0.0 114.36 -173.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -61.85 -8.91 5.55 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -171.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 pp -51.06 -39.42 55.97 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 120.578 1.535 . . . . 0.0 113.203 -172.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -64.96 -39.2 93.12 Favored 'General case' 0 CA--C 1.529 0.14 0 O-C-N 121.631 -0.668 . . . . 0.0 110.379 177.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.7 mtp85 -73.84 25.57 0.07 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.597 1.959 . . . . 0.0 113.73 -169.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -89.04 -15.96 32.76 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.681 1.592 . . . . 0.0 113.613 -173.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.8 mttp -78.42 -44.51 24.6 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 123.959 0.903 . . . . 0.0 110.609 -167.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -115.58 96.27 5.55 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 172.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -40.85 -35.1 0.46 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 113.559 -1.655 . . . . 0.0 114.369 169.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.4 ' OE2' ' NZ ' ' A' ' 31' ' ' LYS . 26.8 mm-40 -100.39 46.68 0.95 Allowed 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 120.035 1.289 . . . . 0.0 110.39 178.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 8.3 m -16.09 83.77 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 C-N-CA 130.957 3.703 . . . . 0.0 115.7 -169.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -68.52 -178.89 1.21 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.149 1.38 . . . . 0.0 111.98 169.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -54.42 -43.71 71.78 Favored 'General case' 0 C--O 1.225 -0.227 0 C-N-CA 123.82 0.848 . . . . 0.0 111.692 -176.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.8 tm0? -49.79 -54.58 18.27 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-O 118.835 -0.602 . . . . 0.0 110.371 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -61.22 -57.86 10.69 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 118.756 0.707 . . . . 0.0 110.442 -178.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -41.55 -52.59 3.68 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.684 1.194 . . . . 0.0 111.475 177.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.1 tp -79.1 -41.79 23.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-O 118.629 -0.7 . . . . 0.0 111.419 -173.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 49.9 m -48.7 -54.77 13.54 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 119.342 0.974 . . . . 0.0 108.862 173.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -52.05 -55.67 19.2 Favored 'General case' 0 N--CA 1.442 -0.857 0 C-N-CA 125.513 1.525 . . . . 0.0 110.728 175.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.98 -44.92 51.19 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.671 0.669 . . . . 0.0 112.262 174.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.94 -51.98 53.9 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 123.987 0.803 . . . . 0.0 111.105 177.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.75 -54.36 47.17 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 122.489 -0.418 . . . . 0.0 110.115 176.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 74.8 mt -53.35 -46.06 69.37 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.201 1.0 . . . . 0.0 112.126 -178.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.62 -45.3 81.58 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 121.743 -0.598 . . . . 0.0 110.51 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 67.8 mtm -67.69 -8.12 32.56 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 175.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 85.8 mt -92.69 -69.9 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 168.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.5 p90 -80.8 -40.45 24.99 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -169.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -92.97 23.17 4.39 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 124.539 1.136 . . . . 0.0 111.549 -170.344 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -54.35 78.53 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 117.724 2.49 . . . . 0.0 117.724 -165.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -123.67 22.53 9.03 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 126.934 2.094 . . . . 0.0 108.178 164.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.4 mp -108.27 -63.14 1.36 Allowed 'General case' 0 C--N 1.341 0.22 0 C-N-CA 127.235 2.214 . . . . 0.0 110.874 -169.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.5 mtmm -80.77 -47.51 13.81 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 177.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.269 2.338 0 N-CA-C 107.096 -2.401 . . . . 0.0 107.096 168.88 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.6 tpt . . . . . 0 N--CA 1.45 -0.454 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -174.57 69.3 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.879 0.872 . . . . 0.0 110.348 -174.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.86 158.67 53.15 Favored Pre-proline 0 N--CA 1.471 0.576 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 170.038 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -56.67 -55.36 2.79 Favored 'Trans proline' 0 N--CA 1.456 -0.734 0 C-N-CA 122.113 1.875 . . . . 0.0 110.978 173.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 68.6 mt -62.39 -49.68 74.57 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -179.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.08 -53.91 14.92 Favored 'General case' 0 C--O 1.225 -0.232 0 C-N-CA 124.707 1.203 . . . . 0.0 111.224 176.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -66.68 -42.69 86.11 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 121.861 -0.524 . . . . 0.0 111.889 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.11 -53.1 61.15 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 118.701 0.682 . . . . 0.0 110.401 177.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 62.3 mt -55.32 -43.71 72.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 172.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -40.73 -46.22 3.76 Favored Glycine 0 CA--C 1.525 0.703 0 C-N-CA 127.296 2.379 . . . . 0.0 113.162 173.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.9 mp -59.82 -48.37 81.97 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.988 1.394 . . . . 0.0 110.223 176.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.4 mp -62.81 -35.25 79.27 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.844 -0.535 . . . . 0.0 110.641 179.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 97.9 mt -61.19 -48.31 89.53 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 C-N-CA 123.935 0.894 . . . . 0.0 109.267 172.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.54 -40.44 69.86 Favored Glycine 0 CA--C 1.526 0.768 0 C-N-CA 124.639 1.114 . . . . 0.0 111.391 177.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 30.0 mm -70.15 -55.02 16.1 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 CA-C-N 117.437 0.618 . . . . 0.0 110.674 174.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . 0.508 ' CZ ' ' CE1' ' B' ' 17' ' ' HIS . 5.3 t80 -39.61 -61.33 0.83 Allowed 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.006 1.322 . . . . 0.0 111.228 173.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . 0.508 ' CE1' ' CZ ' ' B' ' 16' ' ' PHE . 3.7 m-70 -90.2 21.3 3.84 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -178.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.63 -54.85 33.3 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 121.419 -0.8 . . . . 0.0 109.375 169.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -67.85 -33.63 75.13 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.077 -178.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 2.3 m -58.94 -27.05 64.95 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 120.804 0.335 . . . . 0.0 111.799 169.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.63 -42.09 94.01 Favored Glycine 0 CA--C 1.526 0.74 0 C-N-CA 123.711 0.672 . . . . 0.0 113.096 -168.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -53.43 -36.57 61.69 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 -174.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -106.21 -43.84 4.7 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 176.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 178.18 119.44 0.6 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.553 -1.019 . . . . 0.0 110.553 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -38.63 -50.15 1.59 Allowed 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 125.171 1.388 . . . . 0.0 112.719 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -72.86 65.31 0.72 Allowed 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.167 0.987 . . . . 0.0 113.36 -168.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 26.6 p80 -160.02 142.42 13.31 Favored 'General case' 0 CA--C 1.517 -0.324 0 O-C-N 121.246 -0.909 . . . . 0.0 113.07 165.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 3.4 p -38.98 145.56 0.09 Allowed 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 127.623 2.369 . . . . 0.0 111.527 171.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 35.8 mt -70.65 124.98 25.55 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 107.694 -1.225 . . . . 0.0 107.694 171.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -82.83 50.35 1.68 Allowed 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.894 0.878 . . . . 0.0 110.896 -169.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 34.1 mtmm 60.26 -68.93 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 126.898 2.079 . . . . 0.0 113.119 -175.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 45.1 tttm -55.32 -41.09 71.96 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.012 -1.055 . . . . 0.0 110.134 -178.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -53.54 -48.14 69.34 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 122.865 0.466 . . . . 0.0 110.524 174.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 37.0 tp -60.31 -43.03 96.7 Favored 'General case' 0 C--N 1.341 0.196 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 175.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 45.3 tptt -56.36 -52.33 64.99 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.2 0.455 . . . . 0.0 110.914 178.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -57.43 -43.93 84.25 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.469 -0.769 . . . . 0.0 111.568 175.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 tt -51.63 -51.5 55.26 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.916 0.886 . . . . 0.0 111.033 176.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.12 -45.09 91.29 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.101 0 O-C-N 121.083 -1.011 . . . . 0.0 111.282 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -53.54 -52.01 61.03 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.409 0.549 . . . . 0.0 110.56 177.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 18.6 ttpp -92.73 -95.01 0.14 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.6 0.76 . . . . 0.0 111.626 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 23.5 mp0 -38.13 -53.09 1.44 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.431 1.892 . . . . 0.0 115.199 -168.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 20.0 mt -65.02 -26.8 68.43 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 119.555 1.07 . . . . 0.0 112.757 -174.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 8.4 p 80.89 144.42 0.08 Allowed 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 127.807 2.443 . . . . 0.0 109.222 -167.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 16.6 tt -146.95 -38.35 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 123.378 0.671 . . . . 0.0 111.782 -169.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 62.44 -121.97 26.81 Favored Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 178.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 26.1 t -47.63 -45.38 27.73 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.108 0.963 . . . . 0.0 112.101 -172.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -75.88 5.31 6.6 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.29 0.636 . . . . 0.0 112.066 -173.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 33.9 tp -51.75 -49.31 62.83 Favored 'General case' 0 C--N 1.344 0.34 0 CA-C-N 119.413 1.006 . . . . 0.0 110.748 173.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -77.68 54.88 1.27 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 126.501 1.92 . . . . 0.0 110.411 -176.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -72.44 155.07 40.5 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.738 1.215 . . . . 0.0 113.303 -168.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -92.92 130.77 38.4 Favored 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 125.442 1.497 . . . . 0.0 109.375 -179.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . 0.463 ' CD ' ' HZ1' ' B' ' 55' ' ' LYS . 3.0 mm-40 -47.49 -46.37 27.11 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 119.623 1.101 . . . . 0.0 112.807 -169.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 79.6 mt -56.77 -44.66 82.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 176.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.4 t -77.24 -28.13 16.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 O-C-N 122.008 -0.432 . . . . 0.0 110.284 -177.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.463 ' HZ1' ' CD ' ' B' ' 52' ' ' GLU . 50.8 mttp -57.64 -47.78 81.29 Favored 'General case' 0 C--N 1.341 0.197 0 O-C-N 121.349 -0.844 . . . . 0.0 109.018 172.224 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 63.3 tp -60.45 -47.56 85.58 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 123.378 0.424 . . . . 0.0 110.03 174.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 26.5 ttt -56.5 -54.85 40.93 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -177.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -31.97 -66.9 0.11 Allowed 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 126.146 1.778 . . . . 0.0 113.192 -169.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -35.82 -48.41 0.56 Allowed 'General case' 0 C--O 1.223 -0.301 0 C-N-CA 125.91 1.684 . . . . 0.0 112.051 -178.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 33.9 mt -61.97 -11.96 16.05 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 127.162 2.185 . . . . 0.0 114.041 -167.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.41 -38.6 43.78 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 165.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.77 20.4 4.77 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 177.044 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -24.67 -81.21 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 128.215 2.606 . . . . 0.0 114.057 -168.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.66 -74.27 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.787 1.635 . . . . 0.0 112.139 176.097 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 174.16 142.08 0.04 OUTLIER 'General case' 0 N--CA 1.436 -1.131 0 C-N-CA 131.089 3.756 . . . . 0.0 103.146 -177.058 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 32.96 -112.7 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 127.307 2.243 . . . . 0.0 113.175 166.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -91.08 165.17 13.66 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.843 0.857 . . . . 0.0 113.071 -168.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 46.8 t -98.21 114.25 35.13 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 C-N-CA 125.67 1.588 . . . . 0.0 112.458 -165.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -82.91 173.7 11.58 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 125.165 1.386 . . . . 0.0 109.774 168.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -56.84 -45.12 82.57 Favored 'General case' 0 C--O 1.221 -0.413 0 O-C-N 122.157 -0.339 . . . . 0.0 110.383 -177.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.1 tm0? -50.65 -50.28 54.92 Favored 'General case' 0 C--O 1.222 -0.363 0 C-N-CA 122.719 0.408 . . . . 0.0 110.598 176.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -63.67 -54.42 36.01 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 124.251 1.02 . . . . 0.0 109.797 -173.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -49.19 -46.8 46.12 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.799 0.839 . . . . 0.0 110.153 172.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 6.9 mm -64.36 -57.81 9.89 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 CA-C-O 118.375 -0.821 . . . . 0.0 111.101 -177.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 99.1 m -43.76 -51.57 7.17 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 124.468 1.107 . . . . 0.0 109.216 -178.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -58.54 -57.14 14.25 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 113.499 -1.682 . . . . 0.0 111.793 178.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.97 -39.24 77.68 Favored 'General case' 0 C--O 1.222 -0.347 0 O-C-N 121.851 -0.53 . . . . 0.0 110.769 -178.59 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.33 -52.33 53.88 Favored Glycine 0 CA--C 1.527 0.788 0 C-N-CA 124.297 0.951 . . . . 0.0 112.204 173.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.77 -49.38 68.36 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-O 121.161 0.505 . . . . 0.0 109.897 179.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 34.9 mt -65.35 -44.44 87.7 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.032 0.533 . . . . 0.0 111.066 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.75 -44.03 90.45 Favored 'General case' 0 CA--C 1.522 -0.103 0 C-N-CA 124.332 1.053 . . . . 0.0 110.746 -177.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 66.7 mtm -52.96 -22.9 6.19 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 118.225 -0.893 . . . . 0.0 112.359 173.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 52.2 mt -90.66 -71.47 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-N 119.674 1.125 . . . . 0.0 109.423 171.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 39.8 p90 -65.0 -36.9 85.89 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.081 -1.012 . . . . 0.0 112.495 -168.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -92.87 22.21 5.05 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.622 1.169 . . . . 0.0 112.183 174.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.411 ' OE2' ' NZ ' ' B' ' 89' ' ' LYS . 8.6 tp10 -45.39 141.09 2.76 Favored 'General case' 0 C--N 1.346 0.429 0 CA-C-O 123.093 1.425 . . . . 0.0 112.394 -175.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . 151.96 -35.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 1 C-N-CA 132.531 4.332 . . . . 0.0 105.753 -168.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 7.1 mp -49.07 -43.65 41.23 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 126.28 1.832 . . . . 0.0 112.307 176.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . 0.411 ' NZ ' ' OE2' ' B' ' 86' ' ' GLU . 2.7 pptp? -150.14 4.03 0.53 Allowed 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -169.565 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.423 0 N-CA-C 110.052 -1.219 . . . . 0.0 110.052 175.241 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.451 -0.424 0 N-CA-C 107.119 -1.437 . . . . 0.0 107.119 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.88 98.51 0.2 Allowed 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 176.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 p -50.79 149.38 6.19 Favored Pre-proline 0 CA--C 1.538 0.502 0 C-N-CA 124.881 1.272 . . . . 0.0 110.205 173.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -36.1 -51.79 1.09 Allowed 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 124.931 3.754 . . . . 0.0 115.946 -173.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.89 -54.71 41.3 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.213 0.605 . . . . 0.0 110.583 177.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -60.07 -38.95 84.38 Favored 'General case' 0 C--O 1.224 -0.261 0 C-N-CA 124.746 1.218 . . . . 0.0 109.917 -178.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -63.71 -47.97 78.97 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.396 1.079 . . . . 0.0 110.875 177.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.38 -48.82 80.19 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.389 0.675 . . . . 0.0 109.853 176.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 24.4 mm -53.24 -46.92 57.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 171.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -42.99 -52.71 5.67 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 125.162 1.363 . . . . 0.0 111.416 169.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.1 tp -61.86 -47.3 85.64 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.705 -0.88 . . . . 0.0 111.317 177.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -55.23 -33.5 63.16 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.361 0.982 . . . . 0.0 112.068 174.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 52.4 mt -70.03 -44.55 78.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 123.497 0.719 . . . . 0.0 109.519 174.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.19 -31.88 62.69 Favored Glycine 0 CA--C 1.531 1.051 0 C-N-CA 125.241 1.401 . . . . 0.0 111.931 172.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.2 mm -67.58 -66.1 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 168.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -43.06 -82.79 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 127.398 2.279 . . . . 0.0 112.191 -178.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . 0.526 1.5 m-70 -70.36 22.27 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 120.923 3.675 . . . . 0.0 120.923 -167.033 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.1 mtmm -77.44 -50.59 12.37 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 103.116 -2.92 . . . . 0.0 103.116 159.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -68.94 129.54 40.22 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 126.688 1.995 . . . . 0.0 107.547 174.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 93.4 p 57.26 40.52 27.79 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.763 0.792 . . . . 0.0 109.47 -167.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -138.18 -63.37 0.05 OUTLIER Glycine 0 C--N 1.337 0.621 0 C-N-CA 126.295 1.903 . . . . 0.0 108.758 177.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.6 48.11 0.19 Allowed 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.821 0.848 . . . . 0.0 112.115 171.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -173.09 130.77 0.48 Allowed 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 106.093 -1.817 . . . . 0.0 106.093 -176.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.65 -38.38 96.33 Favored Glycine 0 CA--C 1.528 0.896 0 CA-C-O 119.84 -0.422 . . . . 0.0 112.748 -169.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -60.43 174.06 0.61 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.155 1.382 . . . . 0.0 113.534 -169.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.7 128.68 1.52 Allowed 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 125.632 1.573 . . . . 0.0 112.889 -169.538 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -85.82 55.51 3.55 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 122.021 0.915 . . . . 0.0 110.901 -171.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 66.5 p -138.8 152.06 47.57 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 130.104 3.362 . . . . 0.0 102.895 168.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.4 mp -78.73 143.19 36.43 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 106.709 -1.589 . . . . 0.0 106.709 175.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.8 p -95.28 -85.79 0.31 Allowed 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 106.261 -1.755 . . . . 0.0 106.261 172.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.42 -51.21 0.69 Allowed 'General case' 0 N--CA 1.448 -0.525 0 C-N-CA 126.933 2.093 . . . . 0.0 107.779 168.329 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -44.28 -48.94 9.55 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 119.145 0.884 . . . . 0.0 112.192 -173.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.0 mp0 -62.38 -40.24 95.83 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 124.878 1.271 . . . . 0.0 109.837 -177.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.09 -46.46 74.19 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 178.062 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 46.1 mmtt -65.86 -19.09 65.76 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 121.538 -0.726 . . . . 0.0 111.675 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -73.32 -59.73 2.57 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 121.845 0.831 . . . . 0.0 109.254 168.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.3 tt -49.36 -58.12 5.67 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 128.159 2.583 . . . . 0.0 113.757 -178.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -31.18 -59.7 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.23 0.057 0 C-N-CA 128.011 2.524 . . . . 0.0 113.931 -168.565 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -57.57 -49.55 76.02 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.696 0.798 . . . . 0.0 111.863 -168.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.14 -35.95 11.68 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 -172.375 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -91.51 -29.08 17.19 Favored 'General case' 0 CA--C 1.528 0.111 0 N-CA-C 118.248 2.684 . . . . 0.0 118.248 -163.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.8 mt -69.59 22.32 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 116.097 1.888 . . . . 0.0 116.097 -168.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.1 m 50.53 58.88 5.02 Favored 'General case' 0 C--O 1.224 -0.25 0 C-N-CA 125.941 1.697 . . . . 0.0 110.932 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.2 mp -80.24 74.02 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-O 123.164 1.459 . . . . 0.0 108.2 -177.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 53.38 -149.49 13.11 Favored Glycine 0 CA--C 1.527 0.792 0 C-N-CA 127.242 2.353 . . . . 0.0 111.902 174.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.3 m -74.86 50.04 0.44 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.795 1.238 . . . . 0.0 112.13 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -152.97 -49.97 0.1 Allowed 'General case' 0 CA--C 1.521 -0.173 0 C-N-CA 126.562 1.945 . . . . 0.0 108.055 169.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . 0.271 1.1 pt? 42.27 50.76 4.57 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 124.254 1.021 . . . . 0.0 111.648 -170.166 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 34.2 tp60 -165.52 101.36 0.71 Allowed 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 106.041 -1.837 . . . . 0.0 106.041 170.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -139.92 -175.13 4.12 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 124.983 1.313 . . . . 0.0 108.239 -175.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -164.05 -176.61 4.59 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.729 0.812 . . . . 0.0 109.192 -172.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 16.21 -57.56 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.288 1 C-N-CA 134.278 5.031 . . . . 0.0 117.024 179.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 69.2 mt -50.04 -46.77 24.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 124.483 1.113 . . . . 0.0 109.175 172.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 38.4 t -72.94 -40.26 59.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 177.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -52.61 -39.26 61.47 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.842 0.857 . . . . 0.0 111.02 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.5 tp -51.49 -39.8 58.27 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 121.792 -0.567 . . . . 0.0 111.37 174.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.7 mmt -86.46 -40.59 15.17 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.093 0.957 . . . . 0.0 110.53 -176.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -48.91 -33.41 10.74 Favored 'General case' 0 CA--C 1.517 -0.293 0 C-N-CA 124.376 1.071 . . . . 0.0 112.333 -174.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.78 -4.74 1.61 Allowed 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 -173.429 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.0 mp -54.76 -19.72 6.93 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.08 -1.012 . . . . 0.0 111.002 165.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.83 -18.61 3.43 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.038 1.335 . . . . 0.0 112.896 168.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 55.4 ttm-85 -65.59 -6.69 11.75 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.269 1.427 . . . . 0.0 113.185 169.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -29.22 -73.54 0.03 OUTLIER 'General case' 0 C--N 1.339 0.152 0 C-N-CA 128.368 2.667 . . . . 0.0 116.987 -171.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -130.0 131.05 45.74 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -169.431 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.264 0.4 OUTLIER 66.28 -48.76 0.43 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 129.577 3.151 . . . . 0.0 113.542 -179.108 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? 146.41 -54.59 0.01 OUTLIER 'General case' 0 C--O 1.231 0.112 0 C-N-CA 128.9 2.88 . . . . 0.0 109.064 -169.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -77.79 167.08 22.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.979 0.895 . . . . 0.0 112.593 -170.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 58.7 t -140.03 94.43 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 C-N-CA 126.66 1.984 . . . . 0.0 107.954 -172.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -78.68 -176.21 4.77 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 124.773 1.229 . . . . 0.0 108.575 168.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -58.64 -42.38 88.19 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-O 119.123 -0.465 . . . . 0.0 110.738 -178.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -53.63 -57.13 11.88 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-N 118.197 0.453 . . . . 0.0 110.014 177.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -56.92 -56.11 25.85 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.114 0.966 . . . . 0.0 110.446 -178.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -48.76 -51.68 27.75 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 123.64 0.776 . . . . 0.0 110.052 178.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.7 mm -62.61 -53.23 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -178.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 60.7 m -50.98 -48.86 61.13 Favored 'General case' 0 CA--C 1.52 -0.18 0 C-N-CA 124.529 1.132 . . . . 0.0 108.792 -175.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -58.23 -60.29 3.98 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 114.284 -1.325 . . . . 0.0 111.691 176.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.13 -42.08 76.36 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 120.99 0.424 . . . . 0.0 109.948 -176.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -63.48 -45.0 95.84 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 124.749 1.166 . . . . 0.0 113.404 177.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.27 -47.6 75.24 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 118.099 0.95 . . . . 0.0 109.485 174.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 70.6 mt -61.0 -41.0 95.67 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 116.768 -0.197 . . . . 0.0 110.762 174.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.27 -43.13 87.79 Favored 'General case' 0 N--CA 1.457 -0.102 0 O-C-N 121.423 -0.798 . . . . 0.0 112.688 -179.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 42.1 mtm -57.01 -18.95 15.83 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 118.056 -0.973 . . . . 0.0 112.744 173.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 30.8 mm -90.33 -70.64 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 119.488 1.04 . . . . 0.0 108.863 169.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 25.7 p90 -56.66 -38.44 72.19 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 121.1 -1.0 . . . . 0.0 112.268 -169.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.56 26.08 3.2 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.646 1.578 . . . . 0.0 113.243 179.279 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -16.28 -46.19 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 129.04 2.936 . . . . 0.0 117.986 -169.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.892 ' O ' ' OXT' ' A' ' 90' ' ' GLY . . . -28.8 -40.83 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 126.883 2.073 . . . . 0.0 114.899 173.296 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.3 mp -41.53 -51.25 3.93 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 123.981 0.912 . . . . 0.0 112.129 172.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 22.8 mtmm -87.47 -42.22 12.95 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.646 1.178 . . . . 0.0 109.184 178.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.892 ' OXT' ' O ' ' A' ' 87' ' ' ALA . . . . . . . . 0 C--O 1.271 2.456 0 N-CA-C 110.369 -1.092 . . . . 0.0 110.369 171.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.7 ptm . . . . . 0 N--CA 1.45 -0.439 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -163.57 51.3 0.15 Allowed 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.504 1.122 . . . . 0.0 108.737 -177.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.62 167.97 32.11 Favored Pre-proline 0 CA--C 1.541 0.63 0 C-N-CA 125.7 1.6 . . . . 0.0 109.357 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -58.8 144.08 98.64 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 CA-C-N 120.508 1.217 . . . . 0.0 109.39 169.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 43.4 tp 73.21 -56.41 0.66 Allowed 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 127.438 2.295 . . . . 0.0 110.791 -173.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -42.04 -51.0 4.63 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.797 1.639 . . . . 0.0 110.169 171.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -41.01 -54.63 2.74 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.83 1.252 . . . . 0.0 113.352 169.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.85 -46.76 74.06 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 123.021 0.528 . . . . 0.0 109.979 -174.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.7 mp -52.93 -50.4 44.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 173.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.99 -56.24 9.11 Favored Glycine 0 CA--C 1.526 0.743 0 C-N-CA 125.515 1.531 . . . . 0.0 111.522 174.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 58.7 tp -57.96 -49.28 77.33 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.032 0.916 . . . . 0.0 110.71 179.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 45.0 mt -56.9 -41.06 77.42 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.008 0.523 . . . . 0.0 111.215 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 58.9 mt -66.64 -46.15 86.69 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.124 0 C-N-CA 123.368 0.667 . . . . 0.0 110.225 174.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.46 -55.68 27.32 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 109.918 -1.273 . . . . 0.0 109.918 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 4.3 tp -64.9 -46.23 92.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-O 118.78 -0.629 . . . . 0.0 109.901 -177.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -42.97 -57.12 2.99 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 119.157 0.889 . . . . 0.0 110.586 169.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -74.52 -32.68 62.56 Favored 'General case' 0 N--CA 1.434 -1.23 0 CA-C-O 118.215 -0.898 . . . . 0.0 112.667 -168.138 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 3.6 tpmp? -69.14 -31.2 69.7 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 119.14 -1.024 . . . . 0.0 113.607 -172.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -77.69 69.11 3.88 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 119.346 0.975 . . . . 0.0 110.749 178.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 9.1 p -133.26 38.29 3.32 Favored 'General case' 0 N--CA 1.442 -0.849 0 C-N-CA 125.947 1.699 . . . . 0.0 110.011 -172.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 39.94 75.44 0.11 Allowed Glycine 0 C--N 1.339 0.728 0 C-N-CA 125.921 1.724 . . . . 0.0 114.867 168.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 20.8 ttpp 40.13 -95.05 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 127.541 2.336 . . . . 0.0 114.003 168.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 53.2 mp0 -56.93 108.06 0.47 Allowed 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 124.423 1.089 . . . . 0.0 110.154 -178.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.1 121.05 0.06 OUTLIER Glycine 0 CA--C 1.527 0.832 0 C-N-CA 125.127 1.346 . . . . 0.0 110.757 178.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -74.0 73.15 1.67 Allowed 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 121.734 0.778 . . . . 0.0 109.791 178.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -34.36 104.29 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 128.48 2.712 . . . . 0.0 110.217 174.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 35.1 m170 -57.89 -48.43 79.88 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 123.16 0.584 . . . . 0.0 111.693 -172.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 24.4 p -97.65 134.83 40.32 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 105.296 -2.113 . . . . 0.0 105.296 169.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.23 138.36 32.4 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 119.185 0.902 . . . . 0.0 109.686 -172.159 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.7 m -80.66 39.97 0.5 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.762 1.225 . . . . 0.0 111.008 -174.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.49 -67.03 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 127.105 2.162 . . . . 0.0 113.953 -171.019 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 15.1 tptp -53.96 -29.71 43.89 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 119.275 0.943 . . . . 0.0 112.034 -174.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -66.57 -54.45 23.53 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 173.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -61.6 -34.62 75.94 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.772 -0.58 . . . . 0.0 110.95 -178.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -43.12 -41.01 3.46 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.658 1.183 . . . . 0.0 111.102 174.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.91 -26.39 65.08 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -178.111 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 tt -71.43 -64.95 0.82 Allowed 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.747 1.219 . . . . 0.0 107.986 172.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 3.4 tp -56.13 -48.62 78.87 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 C-N-CA 123.245 0.618 . . . . 0.0 112.286 -171.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -55.85 -31.94 63.18 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 118.382 0.537 . . . . 0.0 112.021 -173.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -93.75 -101.07 0.14 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.618 1.167 . . . . 0.0 113.225 -178.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 9.7 pm0 -63.08 -36.1 82.46 Favored 'General case' 0 C--N 1.342 0.266 0 N-CA-C 116.443 2.016 . . . . 0.0 116.443 -165.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 15.4 mt -59.72 -68.41 0.29 Allowed 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 119.924 1.238 . . . . 0.0 111.636 -169.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.78 -7.01 30.02 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 115.202 1.556 . . . . 0.0 115.202 -168.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 pp -89.17 -5.23 10.59 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.15 0 CA-C-N 118.836 0.744 . . . . 0.0 112.976 177.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -54.0 120.93 16.82 Favored Glycine 0 CA--C 1.533 1.187 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 176.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 70.7 m 51.57 31.8 8.15 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.327 1.851 . . . . 0.0 113.63 -172.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -133.77 -19.67 2.05 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.937 1.695 . . . . 0.0 111.592 169.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 3.2 tt 76.71 -61.51 0.44 Allowed 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 125.557 1.543 . . . . 0.0 110.94 171.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -162.07 89.34 0.71 Allowed 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 121.616 -0.678 . . . . 0.0 111.016 -176.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -137.06 155.36 49.75 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 105.773 -1.936 . . . . 0.0 105.773 168.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -130.73 -13.27 3.72 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 126.066 1.746 . . . . 0.0 111.96 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -55.78 -45.55 78.14 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 119.948 1.249 . . . . 0.0 111.167 -169.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -60.16 -33.47 53.52 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 C-N-CA 123.734 0.814 . . . . 0.0 113.041 177.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 69.5 t -52.81 -47.93 50.85 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.248 0 C-N-CA 123.214 0.606 . . . . 0.0 110.959 -169.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.46 -21.65 62.58 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -173.135 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 10.0 tt -92.34 -50.38 5.67 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.613 0.765 . . . . 0.0 109.57 172.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 53.4 mtt -65.19 -47.46 76.84 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 119.486 -0.292 . . . . 0.0 111.771 -169.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -29.72 -61.93 0.14 Allowed 'General case' 0 CA--C 1.513 -0.457 0 C-N-CA 127.335 2.254 . . . . 0.0 113.954 -174.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -91.93 16.92 10.03 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 114.755 1.391 . . . . 0.0 114.755 -169.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 85.1 mt -80.36 -7.86 59.26 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.692 -0.63 . . . . 0.0 112.591 171.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 29.0 p-10 -72.89 -32.89 65.68 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 124.08 0.952 . . . . 0.0 109.072 169.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.48 25.17 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 126.494 1.918 . . . . 0.0 114.613 174.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -56.34 -100.9 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 127.131 2.172 . . . . 0.0 116.01 -168.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.87 86.41 3.28 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-N 120.345 1.429 . . . . 0.0 110.562 -168.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 2.3 p30 60.08 -23.59 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 118.725 2.861 . . . . 0.0 118.725 167.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 25.5 pt20 -85.27 51.15 2.1 Favored 'General case' 0 C--N 1.332 -0.187 0 O-C-N 120.748 -1.22 . . . . 0.0 112.485 -166.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 43.48 -96.27 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 126.128 1.771 . . . . 0.0 109.668 -168.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 45.3 t -156.72 135.49 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 C-N-CA 128.101 2.56 . . . . 0.0 104.288 166.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -148.4 179.08 8.06 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 173.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -54.71 -38.37 66.99 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-O 118.446 -0.788 . . . . 0.0 112.118 -170.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -56.44 -57.78 10.85 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 118.946 0.793 . . . . 0.0 109.027 177.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -63.97 -47.47 80.29 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 121.897 -0.502 . . . . 0.0 110.559 -176.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -51.58 -46.43 63.47 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.002 0.921 . . . . 0.0 111.609 176.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 4.0 tp -81.39 -40.63 18.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 O-C-N 121.819 -0.551 . . . . 0.0 110.206 -172.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 56.1 m -49.26 -52.34 27.93 Favored 'General case' 0 C--N 1.341 0.219 0 C-N-CA 124.129 0.972 . . . . 0.0 108.905 169.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -52.36 -61.76 2.07 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.801 1.64 . . . . 0.0 109.901 174.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -45.3 -52.58 9.55 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 118.407 0.549 . . . . 0.0 111.094 178.332 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.97 -54.53 33.14 Favored Glycine 0 CA--C 1.533 1.187 0 C-N-CA 123.315 0.483 . . . . 0.0 112.717 176.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.3 -54.16 47.56 Favored 'General case' 0 N--CA 1.457 -0.094 0 C-N-CA 123.141 0.576 . . . . 0.0 110.24 -175.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 9.2 mp -54.92 -50.65 68.29 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 124.455 1.102 . . . . 0.0 109.303 177.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.85 -46.32 78.23 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 123.35 0.66 . . . . 0.0 111.343 -177.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 53.1 mtm -52.53 -24.62 8.45 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 119.066 0.848 . . . . 0.0 113.163 175.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 38.4 mm -90.83 -70.53 0.56 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-N 119.035 0.834 . . . . 0.0 110.287 171.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -65.75 -36.42 83.51 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 120.966 -1.084 . . . . 0.0 111.796 -169.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -91.12 26.74 2.06 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.861 2.065 . . . . 0.0 110.453 176.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -14.81 -66.55 0.01 OUTLIER 'General case' 0 C--O 1.238 0.466 0 C-N-CA 130.746 3.618 . . . . 0.0 114.228 -169.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -38.61 -36.86 0.28 Allowed 'General case' 0 C--O 1.232 0.176 0 C-N-CA 126.233 1.813 . . . . 0.0 113.252 -175.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.02 -25.54 30.99 Favored 'General case' 0 C--N 1.339 0.149 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 -175.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 33.5 mtmm -56.87 -33.93 67.34 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.699 0.681 . . . . 0.0 111.615 176.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.38 0 C-N-CA 124.249 0.928 . . . . 0.0 111.808 174.112 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.7 tpt . . . . . 0 N--CA 1.45 -0.463 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.43 -38.67 0.04 OUTLIER 'General case' 0 C--O 1.228 -0.063 0 C-N-CA 123.686 0.794 . . . . 0.0 112.212 178.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.1 t -168.05 123.92 0.84 Allowed Pre-proline 0 C--N 1.329 -0.297 0 C-N-CA 124.486 1.115 . . . . 0.0 108.411 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -44.67 -42.58 14.7 Favored 'Trans proline' 0 N--CA 1.454 -0.845 0 C-N-CA 123.272 2.648 . . . . 0.0 112.316 172.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 50.6 tp -60.72 -56.88 15.99 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 122.547 0.339 . . . . 0.0 110.28 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.414 ' CG ' ' HZ3' ' B' ' 89' ' ' LYS . 11.7 t70 -54.71 -45.93 74.1 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 123.002 0.521 . . . . 0.0 111.079 -178.348 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.62 -52.83 48.96 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.253 -0.431 . . . . 0.0 109.984 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.94 -53.78 54.41 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.37 0.668 . . . . 0.0 111.464 -177.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.6 mm -55.48 -50.78 63.6 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.068 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 173.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -42.03 -51.87 5.02 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 123.401 0.524 . . . . 0.0 112.435 174.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.1 mt -55.31 -27.17 45.13 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 118.195 -0.907 . . . . 0.0 113.172 -178.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -59.69 -39.83 85.87 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 120.678 1.581 . . . . 0.0 110.312 174.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 mt -82.51 -31.24 9.56 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 CA-C-N 118.129 0.422 . . . . 0.0 110.199 172.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.77 -55.45 28.87 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 121.109 -0.994 . . . . 0.0 111.533 177.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.6 mm -52.2 -65.83 0.26 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.175 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 176.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -28.77 -65.36 0.09 Allowed 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 126.121 1.768 . . . . 0.0 111.404 170.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . 0.358 1.9 m-70 -76.94 -8.19 56.94 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 117.09 2.255 . . . . 0.0 117.09 -175.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -56.76 -42.89 80.14 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 121.223 1.828 . . . . 0.0 108.045 166.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.421 ' CE2' ' HG ' ' A' ' 37' ' ' LEU . 94.4 m-85 -73.34 3.84 5.39 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.896 0.878 . . . . 0.0 112.892 -177.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 38.6 m -87.26 -9.54 54.76 Favored 'General case' 0 N--CA 1.455 -0.198 0 O-C-N 121.492 -0.755 . . . . 0.0 111.663 168.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.14 -52.67 34.62 Favored Glycine 0 CA--C 1.532 1.104 0 CA-C-N 118.915 0.779 . . . . 0.0 113.556 -169.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -82.1 -142.12 0.05 Allowed 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 -168.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -76.32 113.99 14.51 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 126.148 1.779 . . . . 0.0 108.551 -169.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 139.67 -164.65 26.0 Favored Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 109.077 -1.609 . . . . 0.0 109.077 177.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.43 ' CG ' ' H ' ' A' ' 26' ' ' LYS . 14.2 t70 -70.12 -176.2 1.11 Allowed 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.227 1.011 . . . . 0.0 111.821 -174.026 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.43 ' H ' ' CG ' ' A' ' 25' ' ' ASP . 0.8 OUTLIER -138.29 -26.71 0.9 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.909 1.684 . . . . 0.0 113.479 178.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.402 ' NE2' ' OD2' ' A' ' 25' ' ' ASP . 23.6 p80 -72.15 -35.29 69.02 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 120.467 1.485 . . . . 0.0 107.95 168.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.44 172.54 6.92 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 127.466 2.306 . . . . 0.0 107.189 167.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.0 pp -112.14 -179.81 3.79 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 120.955 -1.091 . . . . 0.0 109.361 173.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.4 t -109.4 144.59 37.4 Favored 'General case' 0 C--N 1.343 0.325 0 CA-C-N 119.195 0.907 . . . . 0.0 112.994 -177.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.5 pttm -56.55 -37.42 70.5 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.674 1.189 . . . . 0.0 112.613 -175.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -62.5 -54.35 41.28 Favored 'General case' 0 CA--C 1.528 0.125 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 -177.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.2 mp0 -60.57 -41.43 94.59 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 124.507 1.123 . . . . 0.0 109.078 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 26.7 tp -50.73 -38.91 50.16 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 120.805 -1.184 . . . . 0.0 111.987 172.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 35.6 mttm -72.48 -17.29 61.77 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.519 -0.738 . . . . 0.0 111.67 178.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -77.49 -41.16 40.46 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.232 -0.917 . . . . 0.0 108.681 166.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.421 ' HG ' ' CE2' ' A' ' 19' ' ' TYR . 3.6 tt -54.66 -63.92 1.0 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.172 1.389 . . . . 0.0 110.024 179.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.6 tt -44.38 -44.22 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 C-N-CA 124.338 1.055 . . . . 0.0 112.792 -171.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -55.09 -48.97 72.83 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 123.551 0.74 . . . . 0.0 111.922 -174.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.23 -86.66 0.25 Allowed 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 117.932 0.333 . . . . 0.0 111.793 -176.521 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -50.32 -45.01 54.49 Favored 'General case' 0 C--O 1.232 0.132 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 -167.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.9 mt -69.37 -1.54 8.59 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -175.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.5 m 63.64 31.77 14.31 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.48 1.037 . . . . 0.0 111.334 167.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.5 tp -60.36 -36.65 70.45 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 O-C-N 121.33 -0.856 . . . . 0.0 110.961 -178.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -46.29 -38.11 8.65 Favored Glycine 0 CA--C 1.53 0.991 0 C-N-CA 125.124 1.345 . . . . 0.0 113.208 -179.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.5 m -59.2 -12.65 5.6 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 -179.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.411 ' HZ2' ' CG ' ' A' ' 58' ' ' ASP . 35.9 ttmt -59.92 -33.14 71.49 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 118.736 0.698 . . . . 0.0 111.19 169.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 71.8 mt 65.46 -66.04 0.15 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 126.831 2.052 . . . . 0.0 112.049 -176.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -79.48 53.28 1.52 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.904 1.282 . . . . 0.0 110.081 -177.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -85.14 -173.27 4.61 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.847 0.859 . . . . 0.0 109.579 171.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -178.95 157.46 0.87 Allowed 'General case' 0 C--O 1.224 -0.238 0 C-N-CA 126.085 1.754 . . . . 0.0 108.11 -175.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.88 -54.22 13.3 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.927 0.785 . . . . 0.0 111.849 173.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 20.6 pt -61.01 -34.04 58.29 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 O-C-N 121.057 -1.027 . . . . 0.0 111.481 176.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.6 t -70.23 -35.87 65.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 O-C-N 121.545 -0.722 . . . . 0.0 109.65 178.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.29 -39.9 93.13 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 121.5 -0.75 . . . . 0.0 110.047 174.322 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 tt -55.11 -48.9 72.97 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 169.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 41.7 tpp -57.87 -40.62 80.61 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.246 -0.909 . . . . 0.0 111.767 176.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.438 ' C ' ' H ' ' A' ' 60' ' ' LEU . 61.2 m-20 -70.13 -0.44 7.76 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 113.93 1.085 . . . . 0.0 113.93 176.017 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.93 27.92 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 119.404 1.002 . . . . 0.0 111.221 168.024 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.438 ' H ' ' C ' ' A' ' 58' ' ' ASP . 84.8 mt -56.3 -23.85 39.46 Favored 'General case' 0 C--N 1.344 0.365 0 C-N-CA 126.561 1.944 . . . . 0.0 111.92 -175.593 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -52.8 -22.92 5.93 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 123.875 0.87 . . . . 0.0 111.579 169.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.1 ptp85 -53.54 -18.36 2.77 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 172.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -28.03 -63.03 0.1 Allowed 'General case' 0 C--N 1.345 0.373 0 C-N-CA 128.121 2.568 . . . . 0.0 114.008 -173.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.77 -53.52 0.14 Allowed 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 169.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -68.53 -43.73 76.08 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 119.312 -0.375 . . . . 0.0 111.312 -169.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 70.08 -63.15 0.41 Allowed 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 126.292 1.837 . . . . 0.0 110.301 -178.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.03 71.2 1.08 Allowed 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 105.182 -2.155 . . . . 0.0 105.182 165.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.0 m -59.96 155.0 3.51 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 -167.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -103.74 176.85 5.02 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 127.785 2.434 . . . . 0.0 106.811 168.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -57.58 -48.64 78.81 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 -175.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . 0.308 0.0 OUTLIER -54.72 -43.14 72.33 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 118.228 -0.892 . . . . 0.0 113.021 179.436 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -70.68 -46.04 63.93 Favored 'General case' 0 C--O 1.227 -0.099 0 CA-C-N 119.957 1.253 . . . . 0.0 111.487 177.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -46.22 -48.04 17.82 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.194 0.598 . . . . 0.0 110.033 172.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 14.2 mm -66.57 -53.6 33.99 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 CA-C-O 118.916 -0.564 . . . . 0.0 111.269 177.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 64.9 m -47.24 -48.46 24.38 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.857 0.837 . . . . 0.0 109.538 -179.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -57.82 -62.39 1.84 Allowed 'General case' 0 N--CA 1.44 -0.95 0 C-N-CA 126.112 1.765 . . . . 0.0 111.211 175.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.75 -42.56 75.6 Favored 'General case' 0 C--N 1.339 0.137 0 CA-C-N 118.769 0.713 . . . . 0.0 110.92 -175.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -62.41 -47.73 87.33 Favored Glycine 0 CA--C 1.529 0.935 0 CA-C-O 119.34 -0.7 . . . . 0.0 112.486 175.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.82 -46.87 78.0 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.873 1.337 . . . . 0.0 110.453 176.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 73.9 mt -61.07 -46.29 91.29 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 122.548 0.339 . . . . 0.0 110.546 176.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.01 -41.02 74.26 Favored 'General case' 0 C--O 1.227 -0.121 0 C-N-CA 123.634 0.774 . . . . 0.0 111.177 177.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -53.13 -26.94 18.43 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 173.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 44.1 mt -89.2 -68.82 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 173.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 19.6 p90 -66.83 -38.07 85.71 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 112.778 0.658 . . . . 0.0 112.778 -168.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -91.56 23.57 3.44 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.893 1.277 . . . . 0.0 111.621 -176.406 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -45.84 137.91 5.23 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-O 122.44 1.114 . . . . 0.0 111.748 -176.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 150.19 33.01 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.582 1 C-N-CA 133.335 4.654 . . . . 0.0 108.032 -171.05 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -157.85 -18.06 0.08 Allowed 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 -172.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 10.9 mtmm -104.66 -70.92 0.76 Allowed 'General case' 0 C--N 1.34 0.177 0 N-CA-C 107.718 -1.215 . . . . 0.0 107.718 167.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.375 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 -174.993 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.583 ' H2 ' ' HB2' ' B' ' 6' ' ' ASP . 56.6 ttp . . . . . 0 CA--C 1.536 0.411 0 CA-C-O 118.185 -0.912 . . . . 0.0 112.631 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.8 -33.55 0.09 Allowed 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 116.131 1.9 . . . . 0.0 116.131 -168.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.38 172.66 8.15 Favored Pre-proline 0 CA--C 1.538 0.49 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 177.305 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_exo -48.4 -62.64 0.4 Allowed 'Trans proline' 0 CA--C 1.539 0.732 0 C-N-CA 122.391 2.061 . . . . 0.0 114.91 -169.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 82.8 mt -63.75 -53.35 52.45 Favored 'General case' 0 CA--C 1.528 0.098 0 CA-C-O 120.822 0.344 . . . . 0.0 110.332 -174.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . 0.583 ' HB2' ' H2 ' ' B' ' 1' ' ' MET . 1.5 p-10 -59.46 -37.18 77.49 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.293 1.437 . . . . 0.0 111.972 -178.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -66.56 -51.17 59.47 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 121.409 -0.807 . . . . 0.0 109.806 174.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.04 -51.59 69.04 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 121.241 0.543 . . . . 0.0 110.653 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 95.2 mt -56.5 -47.26 82.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 175.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.2 -52.18 18.52 Favored Glycine 0 CA--C 1.53 0.975 0 C-N-CA 124.213 0.911 . . . . 0.0 112.127 173.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 63.3 tp -57.86 -49.82 75.39 Favored 'General case' 0 CA--C 1.529 0.168 0 O-C-N 121.875 -0.779 . . . . 0.0 109.948 178.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 65.8 mt -57.8 -41.9 83.07 Favored 'General case' 0 CA--C 1.535 0.404 0 O-C-N 122.185 -0.322 . . . . 0.0 111.457 178.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 91.2 mt -60.58 -43.35 94.43 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.127 0 C-N-CA 124.271 1.028 . . . . 0.0 109.553 174.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.76 -59.24 11.2 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 176.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 32.9 mm -54.28 -47.07 68.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 122.99 0.516 . . . . 0.0 110.104 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -51.13 -74.89 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.668 1.187 . . . . 0.0 110.982 171.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -84.49 10.39 11.01 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 116.861 2.171 . . . . 0.0 116.861 -168.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -57.94 -46.69 84.67 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 106.18 -1.785 . . . . 0.0 106.18 164.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -61.57 131.36 49.81 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 114.236 -1.347 . . . . 0.0 109.913 169.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 13.7 p -169.95 -13.74 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 114.82 -1.082 . . . . 0.0 113.488 -166.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.41 -64.7 3.49 Favored Glycine 0 C--N 1.34 0.75 0 C-N-CA 127.7 2.572 . . . . 0.0 111.694 171.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.6 pttp 169.94 -114.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 130.444 3.498 . . . . 0.0 104.151 -176.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -53.4 55.35 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 120.488 1.494 . . . . 0.0 109.631 169.37 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 31.67 -118.09 0.11 Allowed Glycine 0 CA--C 1.527 0.793 0 C-N-CA 128.211 2.815 . . . . 0.0 113.202 169.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -128.49 162.1 28.0 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 169.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 30.1 mmtm -131.44 -19.66 2.72 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 127.198 2.199 . . . . 0.0 111.83 -178.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 15.4 p-80 -93.01 -33.89 13.94 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 169.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.9 169.87 8.23 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 125.757 1.623 . . . . 0.0 109.77 174.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 40.4 mt -98.26 134.02 41.86 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 168.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 5.7 m -75.81 67.47 2.23 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.521 0.729 . . . . 0.0 111.916 -175.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 49.0 mttm 42.94 -78.01 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 128.925 2.89 . . . . 0.0 115.296 174.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -43.89 -47.42 8.34 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 124.467 1.107 . . . . 0.0 109.405 175.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -43.48 -59.11 2.28 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 125.055 1.342 . . . . 0.0 111.291 173.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -62.78 -44.5 96.01 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 123.443 0.697 . . . . 0.0 110.111 -178.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -61.91 -19.22 62.46 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.736 -0.602 . . . . 0.0 112.001 177.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -82.58 -48.0 11.48 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.451 1.023 . . . . 0.0 110.675 169.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 tt -44.58 -51.29 9.13 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 126.184 1.794 . . . . 0.0 110.269 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 21.2 pt -56.6 -38.03 55.16 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.102 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -71.83 -58.1 3.76 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 -175.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.39 -71.22 0.63 Allowed 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.757 -171.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 43.0 mp0 -59.07 -37.47 77.16 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.256 1.023 . . . . 0.0 113.536 -169.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 17.7 mt -70.35 -0.99 9.22 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 119.849 1.204 . . . . 0.0 113.308 175.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m 92.1 -2.28 0.16 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 126.552 1.941 . . . . 0.0 111.857 169.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 28.7 mt -58.9 -56.28 17.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-N 119.589 1.086 . . . . 0.0 110.292 -172.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -58.13 -53.44 45.61 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 175.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.2 m -52.6 -36.99 57.35 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.608 1.563 . . . . 0.0 112.682 -177.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.19 -12.14 60.45 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.275 1.43 . . . . 0.0 112.028 178.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 39.7 mt 75.82 157.97 0.2 Allowed 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 127.515 2.326 . . . . 0.0 112.141 174.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . 0.303 0.0 OUTLIER 41.95 59.79 2.45 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.415 1.486 . . . . 0.0 112.298 -168.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -60.82 162.8 6.34 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 114.714 -1.13 . . . . 0.0 108.724 168.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -141.66 150.44 41.92 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.673 1.189 . . . . 0.0 109.941 -176.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -62.37 -32.52 73.33 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 171.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 79.2 mt -49.39 -55.16 4.71 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 C-N-CA 124.333 1.053 . . . . 0.0 110.777 170.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.7 m -71.83 -42.9 69.74 Favored 'Isoleucine or valine' 0 C--N 1.342 0.254 0 C-N-CA 119.017 -1.073 . . . . 0.0 110.979 -170.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 39.0 mtmm -56.68 -49.96 73.54 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 120.88 0.372 . . . . 0.0 110.476 173.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 62.5 tp -57.9 -38.69 76.27 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 123.569 0.748 . . . . 0.0 110.541 177.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 43.0 tpp -59.66 -63.14 1.41 Allowed 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 118.839 0.745 . . . . 0.0 109.388 171.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -66.4 -16.5 64.14 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 115.154 1.539 . . . . 0.0 115.154 -168.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -63.73 0.82 0.72 Allowed 'General case' 0 CA--C 1.557 1.223 0 O-C-N 121.437 -0.789 . . . . 0.0 111.341 166.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.7 pp -48.73 -12.59 0.04 OUTLIER 'General case' 0 C--N 1.345 0.384 0 C-N-CA 127.712 2.405 . . . . 0.0 114.541 169.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -47.24 -26.99 1.34 Allowed 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 120.155 1.343 . . . . 0.0 110.157 165.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 7.8 ptp85 -54.89 -12.88 0.9 Allowed 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 114.028 1.121 . . . . 0.0 114.028 175.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 -29.04 -49.55 0.08 Allowed 'General case' 0 C--N 1.342 0.252 0 C-N-CA 128.677 2.791 . . . . 0.0 113.683 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 18.7 pttm -150.32 -52.26 0.14 Allowed 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.422 0.289 . . . . 0.0 111.076 -174.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -114.66 -46.64 2.94 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.418 1.087 . . . . 0.0 112.944 -168.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . 0.313 4.3 pt20 43.68 41.38 3.54 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.963 0.905 . . . . 0.0 112.687 -164.526 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -107.45 69.24 0.74 Allowed 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 101.46 -3.533 . . . . 0.0 101.46 165.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 43.2 t -67.29 100.09 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.697 0 CA-C-O 122.584 1.183 . . . . 0.0 113.023 -166.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -88.34 -162.48 0.84 Allowed 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 104.663 -2.347 . . . . 0.0 104.663 164.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -63.81 -26.49 68.65 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 120.606 -1.308 . . . . 0.0 111.49 -176.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -60.29 -71.47 0.13 Allowed 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 118.703 -0.665 . . . . 0.0 112.266 -172.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -57.29 -41.7 80.29 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 120.186 1.357 . . . . 0.0 111.227 -175.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -44.65 -64.46 0.69 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.852 0.861 . . . . 0.0 110.314 170.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 3.6 tp -67.86 -30.62 48.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 O-C-N 121.494 -0.754 . . . . 0.0 110.798 -173.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 51.8 m -54.17 -53.98 45.98 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 118.774 -0.631 . . . . 0.0 110.522 170.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.74 -46.8 86.39 Favored 'General case' 0 C--N 1.343 0.315 0 C-N-CA 118.659 -1.217 . . . . 0.0 111.606 178.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 4.7 mp -48.12 -52.91 18.46 Favored 'General case' 0 C--N 1.343 0.316 0 CA-C-N 119.002 0.819 . . . . 0.0 109.905 175.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.67 -48.67 60.59 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 123.799 0.714 . . . . 0.0 112.591 176.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.71 -53.8 54.24 Favored 'General case' 0 CA--C 1.527 0.072 0 C-N-CA 123.463 0.705 . . . . 0.0 111.056 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 93.1 mt -60.62 -43.56 97.35 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 178.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -47.51 -53.58 13.93 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.968 1.307 . . . . 0.0 113.612 -169.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 93.5 mtp -49.2 -33.69 13.04 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 118.629 0.65 . . . . 0.0 111.683 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 37.7 mm -90.48 -73.39 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 C-N-CA 123.516 0.727 . . . . 0.0 109.917 177.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . 0.254 0.0 OUTLIER -74.92 -22.14 58.78 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 -168.036 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -93.7 22.78 5.2 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 123.729 0.812 . . . . 0.0 110.173 169.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -54.71 122.3 10.38 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 171.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . 150.2 -34.28 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.66 1 C-N-CA 134.128 4.971 . . . . 0.0 103.095 -163.422 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 83.7 mt -53.92 -13.25 0.71 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.618 0.767 . . . . 0.0 111.429 166.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . 0.414 ' HZ3' ' CG ' ' A' ' 6' ' ' ASP 0.3 2.4 ptpp? 59.35 63.17 1.62 Allowed 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 126.206 1.803 . . . . 0.0 109.924 178.918 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.269 2.337 0 C-N-CA 125.79 1.662 . . . . 0.0 109.158 -176.987 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpp? . . . . . 0 CA--C 1.532 0.259 0 N-CA-C 111.267 0.099 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.71 -158.25 0.89 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.878 0.871 . . . . 0.0 110.001 -177.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -52.97 150.51 10.09 Favored Pre-proline 0 CA--C 1.537 0.48 0 C-N-CA 126.176 1.791 . . . . 0.0 113.059 -172.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -55.35 -41.26 79.96 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 122.605 2.203 . . . . 0.0 111.725 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -54.23 -56.75 15.27 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.448 0.699 . . . . 0.0 110.011 173.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -51.75 -50.27 60.96 Favored 'General case' 0 C--O 1.224 -0.257 0 C-N-CA 123.864 0.866 . . . . 0.0 110.555 178.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -63.33 -49.24 74.73 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 117.541 0.155 . . . . 0.0 110.63 -177.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.68 -56.0 27.81 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.267 0.627 . . . . 0.0 110.794 -177.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.0 mm -58.3 -41.0 80.07 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 174.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.43 -45.25 11.45 Favored Glycine 0 CA--C 1.522 0.53 0 C-N-CA 127.076 2.274 . . . . 0.0 112.631 174.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 93.0 mt -54.64 -54.73 37.69 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 118.863 1.331 . . . . 0.0 110.075 175.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.38 -40.34 90.5 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.4 mt -61.32 -38.21 79.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 O-C-N 121.741 -0.6 . . . . 0.0 110.776 173.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.55 -61.48 6.99 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 109.427 -1.469 . . . . 0.0 109.427 174.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.1 mp -53.9 -42.19 52.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 178.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -44.4 -75.56 0.03 OUTLIER 'General case' 0 C--N 1.342 0.262 0 C-N-CA 124.147 0.979 . . . . 0.0 112.213 -170.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.22 -17.58 60.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 118.196 -0.907 . . . . 0.0 111.889 -178.326 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -54.05 -37.3 64.0 Favored 'General case' 0 C--N 1.346 0.427 0 CA-C-N 120.006 1.275 . . . . 0.0 109.187 169.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -74.69 52.85 0.53 Allowed 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 121.961 0.886 . . . . 0.0 110.92 172.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.1 m -122.76 -26.31 4.5 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 127.244 2.217 . . . . 0.0 109.905 167.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 148.74 -70.48 0.32 Allowed Glycine 0 CA--C 1.527 0.8 0 N-CA-C 108.746 -1.742 . . . . 0.0 108.746 -178.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -71.62 -175.08 1.25 Allowed 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 125.289 1.436 . . . . 0.0 110.948 -174.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.9 mp0 -74.18 -54.91 6.76 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 126.209 1.804 . . . . 0.0 112.545 -165.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.45 -77.41 1.31 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.537 -1.025 . . . . 0.0 110.537 -176.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.4 t0 61.31 172.65 0.11 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.453 1.501 . . . . 0.0 109.909 -170.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 45.1 tttp -144.13 -16.07 0.59 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.637 1.575 . . . . 0.0 113.183 -174.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.2 p80 -88.48 -147.75 0.16 Allowed 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 120.502 1.501 . . . . 0.0 110.966 -172.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.2 p -58.41 165.86 1.94 Allowed 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 126.195 1.798 . . . . 0.0 111.057 169.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.6 tt -84.74 148.85 26.14 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 104.468 -2.419 . . . . 0.0 104.468 166.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.4 t -102.19 136.25 42.34 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.872 0.844 . . . . 0.0 111.107 -174.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.6 ptpp? -49.9 -23.65 2.07 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.28 -66.07 0.59 Allowed 'General case' 0 C--N 1.341 0.215 0 CA-C-N 119.597 1.09 . . . . 0.0 109.825 175.047 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.7 mp0 -62.3 -29.59 70.54 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -175.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 26.6 tp -46.91 -40.27 13.83 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 118.071 -0.966 . . . . 0.0 111.238 169.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.29 -40.21 47.8 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-N 119.526 1.057 . . . . 0.0 111.763 178.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -71.38 -51.07 26.07 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 -178.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 tt -52.62 -53.37 47.75 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.261 -1.336 . . . . 0.0 109.463 -173.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.4 pt -65.61 -14.39 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.125 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -173.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -94.42 -73.82 0.56 Allowed 'General case' 0 N--CA 1.449 -0.504 0 O-C-N 121.556 -0.715 . . . . 0.0 109.795 169.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -69.79 -67.23 0.5 Allowed 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.956 -167.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -64.14 -38.48 91.21 Favored 'General case' 0 CA--C 1.526 0.057 0 C-N-CA 122.16 0.184 . . . . 0.0 110.77 -170.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.4 mt -65.62 -54.7 24.12 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.38 173.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.4 m 72.51 148.07 0.09 Allowed 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.252 0.933 . . . . 0.0 111.85 -178.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 17.8 pt -83.86 49.6 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 O-C-N 120.658 -1.276 . . . . 0.0 109.974 168.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 27.93 -101.21 0.01 OUTLIER Glycine 0 CA--C 1.527 0.808 0 C-N-CA 127.267 2.365 . . . . 0.0 112.087 -169.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 45.9 m -149.55 52.94 0.94 Allowed 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 168.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 45.7 tptt 61.25 24.02 14.17 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.485 1.114 . . . . 0.0 111.884 -178.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.3 mt -73.49 115.88 13.4 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 121.272 -0.892 . . . . 0.0 109.337 -169.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 51.85 36.71 18.76 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.411 1.085 . . . . 0.0 110.698 -170.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.1 t0 59.12 82.7 0.14 Allowed 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.706 1.202 . . . . 0.0 110.775 -171.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.22 -41.97 72.75 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 114.451 -1.25 . . . . 0.0 111.474 -178.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -60.86 -52.03 66.79 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 119.013 0.824 . . . . 0.0 110.332 178.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 19.8 mm -60.45 -48.8 86.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 CA-C-N 118.262 0.483 . . . . 0.0 110.117 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.1 t -55.52 -48.38 77.4 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 O-C-N 121.744 -0.598 . . . . 0.0 110.305 176.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.6 tptp -60.7 -40.16 91.19 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.46 0.704 . . . . 0.0 110.219 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.7 tt -60.53 -48.4 81.95 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.368 0.667 . . . . 0.0 109.358 177.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 73.7 mtm -61.1 -52.23 65.78 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 120.905 0.384 . . . . 0.0 110.249 179.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -49.16 -44.59 42.89 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.859 1.263 . . . . 0.0 111.577 174.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -50.48 -33.99 23.36 Favored 'General case' 0 C--O 1.224 -0.255 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -173.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 67.9 mt -56.35 -29.33 61.24 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.305 1.042 . . . . 0.0 112.606 -173.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -60.29 -16.28 32.93 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.733 -0.604 . . . . 0.0 112.108 177.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -55.5 -22.54 21.58 Favored 'General case' 0 C--N 1.34 0.181 0 C-N-CA 124.394 1.077 . . . . 0.0 113.558 172.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -40.78 -50.72 3.15 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 114.336 1.236 . . . . 0.0 114.336 -176.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.1 pttm -79.78 18.75 0.74 Allowed 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 118.175 -0.917 . . . . 0.0 111.331 -174.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -28.5 -66.87 0.08 Allowed 'General case' 0 CA--C 1.509 -0.616 0 C-N-CA 127.425 2.29 . . . . 0.0 110.714 -178.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 50.7 -80.5 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.685 0 O-C-N 125.666 1.854 . . . . 0.0 108.952 -167.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -144.56 131.32 20.15 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 103.963 -2.606 . . . . 0.0 103.963 161.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.5 t -46.2 120.98 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 -163.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -102.15 147.72 26.28 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.559 1.544 . . . . 0.0 109.346 -170.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -63.1 -44.9 94.37 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-O 119.098 -0.477 . . . . 0.0 110.507 -170.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -46.98 -56.49 6.32 Favored 'General case' 0 C--O 1.223 -0.31 0 O-C-N 123.672 0.608 . . . . 0.0 109.564 175.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -55.71 -65.77 0.54 Allowed 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -40.3 -51.65 2.74 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.609 1.164 . . . . 0.0 112.103 -178.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 5.8 tp -81.42 -34.91 13.54 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 123.122 0.569 . . . . 0.0 112.175 -174.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 45.9 m -56.42 -47.43 79.07 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 172.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -64.7 -59.59 4.08 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 128.211 2.604 . . . . 0.0 109.424 -174.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 19.7 mt -46.99 -45.6 21.11 Favored 'General case' 0 C--N 1.343 0.319 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 169.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.54 -53.81 40.79 Favored Glycine 0 CA--C 1.527 0.826 0 C-N-CA 125.51 1.529 . . . . 0.0 113.096 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.02 -47.97 81.46 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.063 0.945 . . . . 0.0 109.461 -177.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 70.8 mt -61.16 -52.92 62.82 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 176.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -48.53 -60.2 2.89 Favored 'General case' 0 CA--C 1.516 -0.337 0 C-N-CA 126.041 1.736 . . . . 0.0 110.367 -176.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -34.23 -57.65 0.48 Allowed 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 126.077 1.751 . . . . 0.0 110.055 178.018 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 31.4 mm -75.52 -71.27 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 C-N-CA 123.715 0.806 . . . . 0.0 110.995 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . 0.284 0.0 OUTLIER -69.69 -9.82 55.84 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 116.336 1.976 . . . . 0.0 116.336 -165.209 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.25 -70.36 0.27 Allowed 'General case' 0 C--N 1.342 0.266 0 CA-C-N 119.907 1.23 . . . . 0.0 109.005 171.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -164.77 42.53 0.08 Allowed 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 125.814 1.646 . . . . 0.0 110.874 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 45.81 43.64 10.11 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 118.277 0.489 . . . . 0.0 110.182 -172.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 58.3 mt 71.49 51.93 0.25 Allowed 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 127.283 2.233 . . . . 0.0 112.064 -178.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt 50.12 51.96 15.65 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.395 0 N-CA-C 109.213 -1.555 . . . . 0.0 109.213 -168.574 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 46.7 ttp . . . . . 0 N--CA 1.45 -0.465 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.7 73.89 0.57 Allowed 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.656 0.782 . . . . 0.0 111.059 -178.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 42.4 t -49.26 145.88 6.83 Favored Pre-proline 0 CA--C 1.537 0.444 0 C-N-CA 124.35 1.06 . . . . 0.0 109.213 169.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -40.12 -45.12 4.01 Favored 'Trans proline' 0 N--CA 1.459 -0.509 0 C-N-CA 123.859 3.039 . . . . 0.0 114.457 179.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 86.1 mt -58.88 -53.42 58.64 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 122.413 0.285 . . . . 0.0 110.726 176.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -59.6 -40.18 86.64 Favored 'General case' 0 C--O 1.224 -0.275 0 C-N-CA 123.127 0.571 . . . . 0.0 110.477 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 12.0 tp60 -62.75 -50.56 70.58 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 118.348 0.522 . . . . 0.0 110.539 176.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.99 -54.02 51.85 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.065 0.546 . . . . 0.0 110.248 -178.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 19.4 mm -51.61 -44.81 35.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 C-N-CA 123.699 0.799 . . . . 0.0 109.378 171.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -51.07 -45.02 51.57 Favored Glycine 0 CA--C 1.523 0.562 0 C-N-CA 126.7 2.095 . . . . 0.0 111.692 176.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 73.0 mt -56.75 -53.42 58.04 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 118.765 1.283 . . . . 0.0 109.674 174.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 73.1 mt -56.11 -43.28 77.99 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 122.649 0.38 . . . . 0.0 110.938 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.41 -34.78 67.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 123.722 0.809 . . . . 0.0 111.109 177.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.02 -47.66 64.12 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.088 -1.205 . . . . 0.0 110.088 178.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 78.4 mt -61.36 -48.9 86.75 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 C-N-CA 125.928 1.691 . . . . 0.0 109.765 177.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -29.93 -71.13 0.05 OUTLIER 'General case' 0 C--O 1.225 -0.185 0 C-N-CA 127.236 2.215 . . . . 0.0 113.683 -170.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -92.05 3.02 56.18 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -175.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . 0.427 ' HZ3' ' CA ' ' B' ' 18' ' ' LYS . 0.0 OUTLIER -55.12 -34.8 64.02 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 119.159 0.89 . . . . 0.0 111.013 176.619 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -55.34 -38.82 69.26 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 124.178 0.991 . . . . 0.0 111.294 176.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 67.3 m -73.21 5.53 3.46 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-O 118.446 -0.788 . . . . 0.0 112.888 175.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -44.34 -37.08 4.54 Favored Glycine 0 CA--C 1.532 1.128 0 CA-C-N 119.702 1.137 . . . . 0.0 114.261 -174.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -56.53 -41.9 77.57 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.82 0.848 . . . . 0.0 112.006 177.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -73.94 -49.68 23.56 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 125.147 1.379 . . . . 0.0 108.434 173.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.16 176.04 25.23 Favored Glycine 0 CA--C 1.526 0.726 0 C-N-CA 126.707 2.099 . . . . 0.0 108.228 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -65.28 -11.76 44.76 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 117.784 -1.103 . . . . 0.0 112.444 178.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -17.0 117.13 0.02 OUTLIER 'General case' 0 C--N 1.35 0.587 0 C-N-CA 129.493 3.117 . . . . 0.0 111.753 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -73.55 44.84 0.17 Allowed 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 116.594 2.072 . . . . 0.0 116.594 -163.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 10.8 p -150.05 134.0 16.96 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.932 2.093 . . . . 0.0 105.726 168.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 2.5 tt -88.61 115.26 26.01 Favored 'General case' 0 CA--C 1.528 0.125 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -169.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.6 p -62.67 130.79 46.58 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 121.594 -0.691 . . . . 0.0 111.041 177.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.451 ' HZ3' ' CG ' ' B' ' 65' ' ' ASP . 2.4 pttm -46.13 -45.15 16.35 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 122.874 0.47 . . . . 0.0 112.156 -179.138 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 17.9 pttp -68.8 -17.29 64.0 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -176.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -93.83 -7.56 42.96 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 119.482 1.037 . . . . 0.0 112.043 168.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 9.3 tp -67.2 -33.54 75.6 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.901 0.773 . . . . 0.0 110.265 171.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 3.0 pptp? -41.36 -53.47 3.29 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 119.117 0.871 . . . . 0.0 112.376 176.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -42.99 -48.9 6.03 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 125.207 1.403 . . . . 0.0 112.235 174.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 tt -72.44 -46.75 53.55 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 125.916 1.686 . . . . 0.0 108.767 -171.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 2.2 pt -72.72 -49.62 39.3 Favored 'Isoleucine or valine' 0 C--N 1.341 0.233 0 CA-C-O 118.986 -0.53 . . . . 0.0 111.648 -177.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -50.1 -50.01 49.77 Favored 'General case' 0 C--N 1.339 0.119 0 CA-C-N 118.609 0.641 . . . . 0.0 110.254 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -94.19 -102.93 0.14 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.238 0.615 . . . . 0.0 112.349 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -30.49 -64.2 0.13 Allowed 'General case' 0 C--N 1.343 0.319 0 C-N-CA 129.155 2.982 . . . . 0.0 114.511 -168.09 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . 0.402 2.2 pp -89.5 15.16 9.79 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 -169.289 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 45.6 p -133.29 -166.67 1.8 Allowed 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 167.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . 0.271 61.2 mt 78.99 -47.41 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 125.997 1.719 . . . . 0.0 112.204 178.674 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -47.85 125.63 12.15 Favored Glycine 0 CA--C 1.532 1.112 0 N-CA-C 108.793 -1.723 . . . . 0.0 108.793 168.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 2.6 m 46.46 32.51 1.62 Allowed 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.684 1.194 . . . . 0.0 113.769 -176.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 59.2 mttt -134.9 -41.67 0.75 Allowed 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.518 1.127 . . . . 0.0 110.76 175.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 7.6 mp 60.38 73.46 0.48 Allowed 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.851 1.26 . . . . 0.0 109.684 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 74.17 -39.03 0.41 Allowed 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 126.121 1.769 . . . . 0.0 113.562 175.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . 0.272 3.3 p30 50.64 -119.17 1.33 Allowed 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.59 1.556 . . . . 0.0 111.816 -178.579 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -156.29 140.8 16.82 Favored 'General case' 0 C--O 1.221 -0.414 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 -175.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -62.44 -20.71 64.8 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 119.266 0.939 . . . . 0.0 112.683 -178.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 74.8 mt -62.96 -47.58 92.13 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 167.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 70.4 t -66.05 -43.64 92.36 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.28 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.39 -45.55 84.39 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.547 1.139 . . . . 0.0 110.881 178.153 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 62.4 tp -58.97 -47.54 84.76 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 173.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 41.1 tpp -56.08 -39.33 71.93 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 118.533 -0.746 . . . . 0.0 111.349 176.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . 0.447 ' C ' ' H ' ' B' ' 60' ' ' LEU . 72.1 m-20 -62.23 -11.23 13.69 Favored 'General case' 0 CA--C 1.517 -0.323 0 C-N-CA 124.374 1.069 . . . . 0.0 113.174 176.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -69.67 27.96 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 120.101 1.319 . . . . 0.0 110.136 165.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.447 ' H ' ' C ' ' B' ' 58' ' ' ASP . 39.2 tp -60.25 -23.91 64.46 Favored 'General case' 0 C--N 1.343 0.304 0 C-N-CA 127.173 2.189 . . . . 0.0 112.542 -169.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -61.28 -7.29 2.73 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 125.56 1.544 . . . . 0.0 112.57 167.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 10.0 ttm105 -25.19 -37.55 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 131.076 3.75 . . . . 0.0 116.374 -172.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -47.7 -23.62 0.74 Allowed 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 171.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -6.5 1.5 Allowed 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 114.857 1.428 . . . . 0.0 114.857 173.056 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.451 ' CG ' ' HZ3' ' B' ' 31' ' ' LYS . 32.9 t70 -26.56 -48.42 0.03 OUTLIER 'General case' 0 C--N 1.343 0.29 0 C-N-CA 127.06 2.144 . . . . 0.0 115.79 -169.127 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -48.56 -65.5 0.56 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 122.625 0.37 . . . . 0.0 111.862 177.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -169.33 153.23 5.22 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 130.422 3.489 . . . . 0.0 105.192 170.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 1.8 t -85.99 121.64 37.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 C-N-CA 123.601 0.76 . . . . 0.0 108.969 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -86.06 164.58 17.24 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 168.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -55.35 -41.72 72.91 Favored 'General case' 0 N--CA 1.454 -0.226 0 O-C-N 121.903 -0.498 . . . . 0.0 111.351 -172.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -58.23 -55.12 39.13 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -176.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -56.87 -52.53 64.77 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 121.731 -0.606 . . . . 0.0 109.739 178.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -45.92 -55.52 6.63 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.582 1.153 . . . . 0.0 111.512 177.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 11.0 tp -75.96 -36.92 33.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 O-C-N 121.845 -0.535 . . . . 0.0 111.501 -173.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 82.2 m -55.12 -53.53 54.71 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 122.124 0.964 . . . . 0.0 109.021 173.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -55.6 -56.51 19.44 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 126.366 1.866 . . . . 0.0 111.044 178.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 16.7 mt -48.0 -48.58 32.56 Favored 'General case' 0 C--O 1.224 -0.246 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 173.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.76 -60.13 7.28 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 124.31 0.957 . . . . 0.0 112.827 175.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.71 -50.0 71.52 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.539 0.735 . . . . 0.0 110.397 -176.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 95.2 mt -66.85 -46.03 76.32 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 119.488 -0.291 . . . . 0.0 111.123 -178.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -48.44 -48.44 37.43 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 124.756 1.223 . . . . 0.0 111.723 -174.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 86.4 mtp -45.25 -43.18 10.2 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.437 0.695 . . . . 0.0 111.387 176.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 33.0 mm -90.3 -62.2 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 C-N-CA 123.714 0.806 . . . . 0.0 110.326 -175.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -74.75 -32.23 62.02 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -168.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.38 -84.6 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 119.384 0.993 . . . . 0.0 112.358 -167.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -154.91 33.18 0.4 Allowed 'General case' 0 C--O 1.234 0.248 0 C-N-CA 124.916 1.286 . . . . 0.0 110.54 -174.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . 46.55 44.52 13.42 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 -168.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 21.8 mt 73.69 49.86 0.13 Allowed 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 127.278 2.231 . . . . 0.0 112.864 178.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt 73.24 137.85 0.05 Allowed 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 127.656 2.382 . . . . 0.0 112.34 174.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.352 0 N-CA-C 108.72 -1.752 . . . . 0.0 108.72 -169.556 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.4 mtp . . . . . 0 N--CA 1.451 -0.394 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 86.94 25.64 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 127.377 2.271 . . . . 0.0 110.798 176.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -60.4 162.52 10.81 Favored Pre-proline 0 N--CA 1.449 -0.489 0 C-N-CA 124.928 1.291 . . . . 0.0 108.8 169.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -47.15 -56.95 2.61 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 122.388 2.059 . . . . 0.0 111.669 175.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 pp -56.56 -42.16 78.11 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 121.776 -0.578 . . . . 0.0 111.662 178.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -55.96 -47.42 77.66 Favored 'General case' 0 C--O 1.222 -0.38 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 177.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -60.81 -48.4 81.96 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 120.898 0.38 . . . . 0.0 110.56 177.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.61 -26.7 67.95 Favored 'General case' 0 C--O 1.233 0.206 0 N-CA-C 112.797 0.665 . . . . 0.0 112.797 -176.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.4 mp -75.47 -49.53 26.91 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 N-CA-C 107.686 -1.228 . . . . 0.0 107.686 168.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.42 -44.83 11.25 Favored Glycine 0 C--O 1.225 -0.415 0 C-N-CA 127.78 2.61 . . . . 0.0 112.01 -179.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.72 -52.66 55.29 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 117.789 0.794 . . . . 0.0 109.999 176.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.1 mp -69.2 -37.38 78.08 Favored 'General case' 0 CA--C 1.531 0.233 0 O-C-N 121.707 -0.621 . . . . 0.0 110.819 -177.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.5 mm -60.5 -43.14 93.68 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 O-C-N 121.665 -0.647 . . . . 0.0 110.445 173.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.71 -57.87 14.44 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 109.9 -1.28 . . . . 0.0 109.9 174.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 75.0 mt -56.31 -47.4 81.24 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 C-N-CA 122.974 0.509 . . . . 0.0 111.261 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -38.46 -62.7 0.57 Allowed 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 115.726 1.751 . . . . 0.0 115.726 -167.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -82.77 9.47 9.67 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -174.596 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 tptp -64.62 -34.33 78.03 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 119.218 0.917 . . . . 0.0 112.366 -176.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.404 ' CZ ' ' HG ' ' A' ' 37' ' ' LEU . 86.3 m-85 -72.44 156.3 39.19 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 -166.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 96.1 p 39.33 37.73 0.29 Allowed 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 128.437 2.695 . . . . 0.0 114.932 -174.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 85.59 126.62 1.75 Allowed Glycine 0 CA--C 1.526 0.737 0 CA-C-N 119.226 0.921 . . . . 0.0 112.071 169.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.263 14.9 pttp 75.87 135.59 0.06 Allowed 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 130.406 3.483 . . . . 0.0 112.923 169.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -81.85 -170.47 2.86 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-O 122.392 1.092 . . . . 0.0 110.384 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.69 -95.96 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 125.94 1.733 . . . . 0.0 111.035 173.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -68.2 79.44 0.24 Allowed 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 122.117 0.96 . . . . 0.0 111.498 175.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -145.28 48.46 1.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 102.025 -3.324 . . . . 0.0 102.025 163.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.3 p-80 -51.74 -38.2 54.32 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 126.637 1.975 . . . . 0.0 110.724 -169.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.1 p -134.57 150.14 50.7 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 106.166 -1.79 . . . . 0.0 106.166 168.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -107.43 179.42 4.25 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.962 1.705 . . . . 0.0 107.913 174.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.2 p -158.71 96.79 1.4 Allowed 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.092 -1.005 . . . . 0.0 110.297 -178.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.283 0.1 OUTLIER 58.02 -61.63 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 128.622 2.769 . . . . 0.0 115.901 175.196 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.08 -42.23 85.12 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.508 0.723 . . . . 0.0 110.009 -172.101 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 59.2 mp0 -60.49 -46.49 89.93 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 175.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -60.81 -39.92 90.78 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 -176.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -61.75 -45.09 95.39 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 118.076 0.398 . . . . 0.0 111.844 171.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -55.97 -35.97 67.33 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 121.753 0.787 . . . . 0.0 111.371 173.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.449 ' CD2' ' HG ' ' A' ' 42' ' ' LEU . 4.9 tt -89.02 -78.89 0.33 Allowed 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 127.262 2.225 . . . . 0.0 111.889 -168.27 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 7.5 pt -54.91 -37.77 42.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.175 0 C-N-CA 123.746 0.818 . . . . 0.0 112.599 -166.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -68.06 -29.96 69.05 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 122.943 0.497 . . . . 0.0 110.728 -175.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -91.73 -62.31 1.45 Allowed 'General case' 0 C--O 1.235 0.291 0 C-N-CA 123.015 0.526 . . . . 0.0 110.624 175.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.3 mp0 -86.47 -100.69 0.07 Allowed 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.084 0.954 . . . . 0.0 111.968 -169.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.449 ' HG ' ' CD2' ' A' ' 37' ' ' LEU . 23.0 mt -28.66 -93.51 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 116.967 2.21 . . . . 0.0 116.967 -164.217 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.9 p -81.39 48.54 1.17 Allowed 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 124.203 1.001 . . . . 0.0 112.799 -166.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.8 tt -172.96 -51.77 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.527 0.074 0 C-N-CA 124.311 1.044 . . . . 0.0 109.273 175.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.12 37.24 63.91 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.219 -1.152 . . . . 0.0 110.219 -175.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.2 m 62.57 -37.06 0.14 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 127.748 2.419 . . . . 0.0 116.903 176.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.62 34.85 0.1 Allowed 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 126.287 1.835 . . . . 0.0 114.504 -168.162 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 37.1 mt 53.78 -148.77 0.44 Allowed 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.757 0.823 . . . . 0.0 109.845 -170.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 50.08 77.0 0.12 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.944 0.897 . . . . 0.0 109.204 -171.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -150.55 176.96 10.48 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 128.84 2.856 . . . . 0.0 104.77 176.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -131.65 153.26 50.14 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 118.9 0.773 . . . . 0.0 109.598 173.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.05 -46.08 89.19 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 176.207 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 43.7 pt -57.96 -39.71 73.14 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 C-N-CA 122.467 0.307 . . . . 0.0 111.227 174.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 41.5 t -65.35 -55.34 20.64 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.276 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 178.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -35.03 77.34 Favored 'General case' 0 CA--C 1.53 0.195 0 O-C-N 121.928 -0.482 . . . . 0.0 111.902 -175.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 64.3 tp -59.58 -50.66 73.03 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.19 0.596 . . . . 0.0 109.987 170.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.3 tpt -62.22 -53.66 52.05 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.091 0.405 . . . . 0.0 110.993 -177.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -35.01 -64.46 0.27 Allowed 'General case' 0 C--N 1.337 0.065 0 C-N-CA 126.374 1.869 . . . . 0.0 110.659 -176.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -55.96 -13.07 1.66 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.886 1.674 . . . . 0.0 114.412 -169.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.0 mt -90.74 -36.42 14.31 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.919 1.288 . . . . 0.0 111.766 -175.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.417 ' C ' ' H ' ' A' ' 63' ' ' ASN . 2.6 t70 -54.64 -45.58 73.81 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-O 121.374 0.607 . . . . 0.0 109.616 -177.428 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 25.3 ptt85 -65.24 23.14 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.496 1.918 . . . . 0.0 114.634 174.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.417 ' H ' ' C ' ' A' ' 61' ' ' ASP . 3.5 p30 -29.51 -34.43 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 129.77 3.228 . . . . 0.0 117.412 -176.189 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -72.86 57.05 0.43 Allowed 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 119.665 1.121 . . . . 0.0 109.714 172.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -55.04 -24.15 23.43 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.644 1.578 . . . . 0.0 110.947 176.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -57.98 -47.83 81.81 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.286 0.634 . . . . 0.0 112.656 170.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -154.91 112.05 3.33 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 126.351 1.86 . . . . 0.0 107.613 -169.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.4 t -115.9 126.11 73.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -176.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -110.54 179.62 4.02 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 125.118 1.367 . . . . 0.0 108.563 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -53.27 -39.78 64.16 Favored 'General case' 0 C--O 1.221 -0.397 0 C-N-CA 123.373 0.669 . . . . 0.0 109.327 172.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.22 -53.85 31.21 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.459 1.104 . . . . 0.0 111.028 -177.476 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 58.4 mp0 -64.89 -55.33 20.02 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 177.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -45.65 -41.59 10.46 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.981 1.312 . . . . 0.0 112.826 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 9.3 tp -82.57 -45.21 19.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.291 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.0 m -48.35 -46.7 37.05 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 119.465 1.03 . . . . 0.0 109.875 176.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -50.21 -55.86 13.49 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 127.305 2.242 . . . . 0.0 111.688 177.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 92.9 mt -58.07 -48.62 79.59 Favored 'General case' 0 C--O 1.224 -0.24 0 O-C-N 121.72 -0.613 . . . . 0.0 109.667 171.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -43.96 -37.28 4.14 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 126.165 1.841 . . . . 0.0 113.495 175.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -82.97 -60.49 2.14 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 117.763 0.782 . . . . 0.0 112.396 173.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -78.82 -34.06 45.59 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 -166.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . 0.312 . . -61.91 -21.94 65.17 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 117.25 2.315 . . . . 0.0 117.25 -166.271 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.447 ' CB ' ' HG ' ' A' ' 88' ' ' LEU . 2.1 mmm -69.89 -35.68 74.82 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 120.725 1.602 . . . . 0.0 108.064 173.127 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 30.6 mm -69.59 -53.11 26.29 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 -179.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -91.27 -49.47 6.35 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 114.946 1.462 . . . . 0.0 114.946 -170.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -95.23 -104.73 0.15 Allowed 'General case' 0 C--N 1.346 0.428 0 CA-C-N 119.932 1.242 . . . . 0.0 111.377 -170.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 176.02 -179.15 0.15 Allowed 'General case' 0 N--CA 1.445 -0.721 1 C-N-CA 131.798 4.039 . . . . 0.0 104.552 176.057 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 48.64 17.17 0.13 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.569 1.548 . . . . 0.0 112.659 -170.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.447 ' HG ' ' CB ' ' A' ' 82' ' ' MET . 0.5 OUTLIER 37.89 39.56 0.24 Allowed 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.641 1.576 . . . . 0.0 111.643 -164.831 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt 171.97 154.17 0.07 Allowed 'General case' 0 C--N 1.339 0.128 0 C-N-CA 124.364 1.066 . . . . 0.0 110.081 175.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.426 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 172.351 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.514 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -166.93 -20.79 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 115.179 1.548 . . . . 0.0 115.179 -172.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.58 164.55 37.8 Favored Pre-proline 0 CA--C 1.537 0.476 0 CA-C-N 119.582 1.083 . . . . 0.0 111.149 -172.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -49.45 -41.92 42.71 Favored 'Trans proline' 0 N--CA 1.454 -0.839 0 C-N-CA 123.007 2.471 . . . . 0.0 112.231 171.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 86.0 mt -63.63 -55.7 21.6 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.72 -56.8 5.59 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 125.765 1.626 . . . . 0.0 109.615 178.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -52.48 -53.22 48.52 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.029 0.932 . . . . 0.0 110.34 176.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.26 -48.31 82.1 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.155 0.582 . . . . 0.0 112.102 -176.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.7 mp -58.09 -53.93 39.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 175.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.28 -46.0 28.09 Favored Glycine 0 CA--C 1.532 1.141 0 CA-C-N 118.33 0.514 . . . . 0.0 111.861 176.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 49.2 tp -56.02 -27.4 52.89 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.24 1.016 . . . . 0.0 112.044 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.75 -43.04 99.63 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 120.408 1.458 . . . . 0.0 110.639 174.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -68.11 -42.24 84.87 Favored 'Isoleucine or valine' 0 C--N 1.342 0.271 0 CA-C-N 118.762 0.71 . . . . 0.0 109.258 169.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -46.11 -59.21 5.23 Favored Glycine 0 CA--C 1.533 1.204 0 CA-C-N 118.806 0.73 . . . . 0.0 111.851 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 21.5 mm -58.34 -52.74 55.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 125.435 1.494 . . . . 0.0 110.069 176.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -37.14 -76.44 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 125.165 1.386 . . . . 0.0 114.456 -167.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -71.04 -21.19 62.29 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 122.253 -0.279 . . . . 0.0 111.464 -176.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.32 -33.85 72.0 Favored 'General case' 0 C--N 1.341 0.206 0 O-C-N 121.496 -0.752 . . . . 0.0 109.699 -179.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -78.51 53.44 1.3 Allowed 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 121.995 0.902 . . . . 0.0 111.132 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 7.1 m -129.67 25.85 5.34 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 126.216 1.807 . . . . 0.0 110.135 168.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.77 -55.43 3.82 Favored Glycine 0 C--N 1.337 0.618 0 C-N-CA 126.435 1.969 . . . . 0.0 113.905 168.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -87.1 -140.9 0.1 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.923 0.889 . . . . 0.0 110.722 -168.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.5 pm0 -38.58 -54.59 1.51 Allowed 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 126.541 1.936 . . . . 0.0 112.519 176.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.27 31.24 6.25 Favored Glycine 0 CA--C 1.529 0.915 0 C-N-CA 124.862 1.22 . . . . 0.0 112.887 173.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 25.0 p-10 -80.99 -46.16 15.51 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 128.971 2.909 . . . . 0.0 109.995 171.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 39.5 mmtm -44.92 113.92 0.64 Allowed 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 126.281 1.832 . . . . 0.0 109.258 -173.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 14.2 p80 -76.88 60.87 1.83 Allowed 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.444 0.698 . . . . 0.0 109.9 -177.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 3.3 p -163.61 162.69 24.43 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 128.175 2.59 . . . . 0.0 105.48 -171.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 mp -111.36 131.4 55.2 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 104.833 -2.284 . . . . 0.0 104.833 168.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 28.0 m -87.97 152.93 21.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 118.558 0.617 . . . . 0.0 110.722 -174.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 7.4 pttm -59.73 140.63 56.34 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.878 -0.514 . . . . 0.0 109.866 175.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.475 ' HZ2' ' CD ' ' B' ' 33' ' ' GLU 0.409 0.0 OUTLIER 92.04 -41.71 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 129.979 3.311 . . . . 0.0 110.834 -169.674 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.475 ' CD ' ' HZ2' ' B' ' 32' ' ' LYS . 58.3 mp0 -66.56 -36.36 82.45 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.902 1.228 . . . . 0.0 111.45 174.45 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.91 -49.5 75.92 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 119.497 1.044 . . . . 0.0 109.544 174.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.77 -25.85 12.52 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.184 0.594 . . . . 0.0 111.3 171.196 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -77.86 -58.93 3.0 Favored 'General case' 0 N--CA 1.449 -0.514 0 O-C-N 121.048 -1.033 . . . . 0.0 111.502 177.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . 0.278 4.0 pp -53.67 -41.83 67.27 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -178.123 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 20.8 tt -60.86 -34.53 59.78 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 120.294 -0.563 . . . . 0.0 111.754 178.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 11.8 tp60 -72.45 -60.79 2.06 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 119.187 -0.435 . . . . 0.0 111.131 -169.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 16.2 mtmm -93.57 -63.68 1.18 Allowed 'General case' 0 CA--C 1.529 0.168 0 CA-C-O 121.57 0.7 . . . . 0.0 110.361 -175.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 33.5 mp0 -54.2 -55.46 27.74 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 126.803 2.041 . . . . 0.0 111.473 -167.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 22.1 mt -63.06 -9.68 11.37 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 178.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 32.1 m 73.22 -68.08 0.24 Allowed 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 125.227 1.411 . . . . 0.0 113.201 168.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 43.6 pt 38.53 44.63 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 126.784 2.034 . . . . 0.0 113.477 -178.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -76.55 -56.92 4.04 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 109.207 -1.557 . . . . 0.0 109.207 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 7.6 m -68.77 70.22 0.19 Allowed 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.706 1.202 . . . . 0.0 109.553 171.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.0 45.85 0.55 Allowed 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 125.243 1.417 . . . . 0.0 113.13 -169.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 62.0 tp -48.94 122.68 6.04 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.706 1.202 . . . . 0.0 109.528 172.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 71.11 -34.53 0.3 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.93 1.692 . . . . 0.0 114.55 175.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -40.59 139.07 0.85 Allowed 'General case' 0 C--O 1.236 0.357 0 C-N-CA 125.187 1.395 . . . . 0.0 112.716 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -135.69 161.82 34.47 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 125.29 1.436 . . . . 0.0 108.279 172.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -56.84 -30.99 64.31 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 123.529 0.732 . . . . 0.0 109.764 177.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 78.0 mt -55.63 -48.26 77.89 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 C-N-CA 123.143 0.577 . . . . 0.0 109.917 169.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 38.6 t -63.86 -44.11 98.01 Favored 'Isoleucine or valine' 0 C--N 1.34 0.185 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -55.0 -52.66 62.42 Favored 'General case' 0 C--O 1.222 -0.358 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 176.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -56.89 -40.73 76.78 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.264 0.483 . . . . 0.0 111.39 178.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 46.3 tpp -58.1 -56.44 21.99 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 118.344 0.52 . . . . 0.0 110.521 175.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . 0.442 ' C ' ' H ' ' B' ' 60' ' ' LEU . 60.9 m-20 -84.14 -4.76 59.01 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 -172.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . 0.43 ' CG ' HH21 ' B' ' 62' ' ' ARG . 20.8 t0 -68.2 32.03 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.856 1.662 . . . . 0.0 108.543 163.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.442 ' H ' ' C ' ' B' ' 58' ' ' ASP . 25.4 tp -47.37 -19.89 0.18 Allowed 'General case' 0 C--N 1.348 0.509 0 C-N-CA 129.446 3.098 . . . . 0.0 112.398 -170.253 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -36.46 -37.26 0.12 Allowed 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.878 2.071 . . . . 0.0 110.021 162.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . 0.43 HH21 ' CG ' ' B' ' 59' ' ' ASP . 0.1 OUTLIER -63.65 -10.98 21.7 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 126.483 1.913 . . . . 0.0 113.549 -177.121 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -51.34 -37.69 49.14 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.897 0.879 . . . . 0.0 109.252 168.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . 0.267 18.1 pttp 60.63 -53.43 0.09 Allowed 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 118.191 2.663 . . . . 0.0 118.191 168.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -78.06 32.57 0.18 Allowed 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 120.426 1.466 . . . . 0.0 113.544 -166.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.2 -174.11 0.86 Allowed 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 127.014 2.126 . . . . 0.0 106.735 -177.157 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -110.66 159.69 17.36 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 105.361 -2.089 . . . . 0.0 105.361 165.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 25.0 t -97.07 149.58 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 123.437 0.695 . . . . 0.0 109.251 -168.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -107.12 166.4 10.65 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.717 1.207 . . . . 0.0 110.451 176.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.411 ' CE1' ' HB3' ' A' ' 88' ' ' LEU . 7.4 t80 -48.81 -48.62 41.31 Favored 'General case' 0 C--N 1.343 0.304 0 C-N-CA 124.26 1.024 . . . . 0.0 110.526 -175.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -51.96 -56.23 15.47 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 122.866 0.466 . . . . 0.0 109.775 -174.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -56.0 -50.33 71.15 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 122.859 0.464 . . . . 0.0 110.488 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -48.56 -66.43 0.4 Allowed 'General case' 0 C--O 1.231 0.09 0 C-N-CA 123.733 0.813 . . . . 0.0 110.286 175.315 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 9.2 tp -62.54 -32.79 56.49 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 -171.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 85.2 m -62.14 -46.48 88.79 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 118.453 -0.784 . . . . 0.0 111.1 174.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . 0.276 0.3 OUTLIER -65.35 -44.22 88.37 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 119.798 1.181 . . . . 0.0 110.597 176.903 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 6.9 mp -51.78 -37.96 53.58 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.436 -0.79 . . . . 0.0 111.224 169.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -69.58 -45.17 60.57 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 124.481 1.039 . . . . 0.0 112.802 178.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.41 -48.68 74.01 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.459 0.703 . . . . 0.0 109.278 174.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 85.7 mt -59.53 -48.54 81.26 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 119.215 -0.421 . . . . 0.0 110.537 171.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -46.02 -57.38 4.48 Favored 'General case' 0 CA--C 1.517 -0.318 0 C-N-CA 125.476 1.51 . . . . 0.0 111.732 -175.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 75.2 mtm -42.85 -47.5 5.58 Favored 'General case' 0 CA--C 1.529 0.168 0 O-C-N 124.268 0.98 . . . . 0.0 110.461 178.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 65.2 mt -77.55 -73.98 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.628 0 C-N-CA 124.061 0.944 . . . . 0.0 110.267 -177.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.45 -25.96 68.24 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 113.348 0.869 . . . . 0.0 113.348 -167.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -68.64 -55.84 10.17 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 119.159 0.891 . . . . 0.0 110.702 -179.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 27.1 pt-20 -157.85 13.57 0.21 Allowed 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 115.636 1.717 . . . . 0.0 115.636 -174.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . 49.23 33.27 4.93 Favored 'General case' 0 CA--C 1.537 0.442 0 CA-C-N 119.736 1.153 . . . . 0.0 110.754 -169.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.679 ' O ' ' OXT' ' B' ' 90' ' ' GLY . 57.4 mt 49.05 26.23 1.33 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.47 1.508 . . . . 0.0 112.591 -173.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . 0.421 ' C ' ' OXT' ' B' ' 90' ' ' GLY . 0.4 OUTLIER 43.05 42.16 3.08 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.887 1.275 . . . . 0.0 110.331 -171.323 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . 0.679 ' OXT' ' O ' ' B' ' 88' ' ' LEU . . . . . . . . 0 C--O 1.27 2.353 0 N-CA-C 109.793 -1.323 . . . . 0.0 109.793 -169.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.5 mtp . . . . . 0 N--CA 1.448 -0.56 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.15 -14.27 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 115.112 1.523 . . . . 0.0 115.112 -172.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.06 165.26 22.76 Favored Pre-proline 0 CA--C 1.539 0.519 0 C-N-CA 123.694 0.798 . . . . 0.0 110.882 -175.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -50.75 -46.56 29.48 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 122.864 2.376 . . . . 0.0 112.716 176.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 84.3 mt -57.17 -55.5 33.87 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 175.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -47.96 -49.42 30.51 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.608 1.563 . . . . 0.0 110.465 177.12 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -58.15 -45.39 87.52 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.308 0.643 . . . . 0.0 110.669 175.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.03 -43.22 86.67 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 121.868 -0.52 . . . . 0.0 111.013 175.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 43.1 mm -55.68 -45.01 79.0 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-N 118.99 0.814 . . . . 0.0 109.091 171.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.53 -53.19 13.08 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 123.653 0.644 . . . . 0.0 112.275 169.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.5 mt -57.08 -48.13 79.34 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 121.281 -1.129 . . . . 0.0 110.53 177.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 mp -57.77 -40.74 80.51 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.32 0.648 . . . . 0.0 111.645 178.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 67.4 mt -58.83 -44.57 90.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 C-N-CA 123.856 0.862 . . . . 0.0 109.478 171.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -50.06 -64.21 3.71 Favored Glycine 0 CA--C 1.528 0.859 0 N-CA-C 110.427 -1.069 . . . . 0.0 110.427 171.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.8 mp -52.58 -48.43 47.54 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 117.731 0.765 . . . . 0.0 110.172 -177.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -43.12 -73.82 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 124.351 1.061 . . . . 0.0 110.178 170.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . 0.331 1.0 OUTLIER -75.0 -7.12 52.73 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 115.177 1.547 . . . . 0.0 115.177 -170.811 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -64.0 -20.01 65.59 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 118.738 -0.648 . . . . 0.0 112.406 170.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -87.72 -40.02 14.47 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 120.022 1.283 . . . . 0.0 110.83 -179.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.3 p -59.49 -1.45 0.23 Allowed 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.25 -58.94 10.42 Favored Glycine 0 CA--C 1.528 0.9 0 N-CA-C 110.228 -1.149 . . . . 0.0 110.228 173.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -78.54 -128.03 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.217 1.007 . . . . 0.0 111.716 -169.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.6 pm0 -58.31 -39.99 80.84 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 120.597 1.544 . . . . 0.0 112.455 -177.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -42.56 139.48 2.5 Favored Glycine 0 CA--C 1.529 0.958 0 C-N-CA 125.254 1.407 . . . . 0.0 114.742 -178.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.402 ' OD1' ' NE2' ' A' ' 27' ' ' HIS . 20.9 t70 -48.46 145.54 3.41 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.643 1.177 . . . . 0.0 112.482 173.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -100.28 47.45 0.93 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.057 0.943 . . . . 0.0 112.062 -172.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.402 ' NE2' ' OD1' ' A' ' 25' ' ' ASP . 0.1 OUTLIER -167.1 -44.88 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.043 0.937 . . . . 0.0 110.067 169.3 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 48.3 p -98.46 -149.32 0.34 Allowed 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 169.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 21.1 mt -138.43 134.39 34.01 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 106.218 -1.771 . . . . 0.0 106.218 167.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.4 m -68.44 140.04 55.75 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 173.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -43.24 -51.28 6.23 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.163 1.385 . . . . 0.0 111.547 -177.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.8 tmtt? -48.49 -43.95 35.37 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.599 1.16 . . . . 0.0 111.834 177.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -66.29 -39.09 89.13 Favored 'General case' 0 N--CA 1.451 -0.424 0 O-C-N 121.845 -0.534 . . . . 0.0 109.88 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.5 tp -66.03 -37.49 86.0 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 119.712 -0.795 . . . . 0.0 110.238 177.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -59.53 -37.63 78.88 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 118.068 0.394 . . . . 0.0 111.925 171.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -68.37 -44.39 75.3 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 123.167 1.46 . . . . 0.0 110.702 176.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 tt -62.45 -66.55 0.52 Allowed 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 125.379 1.472 . . . . 0.0 109.822 -177.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -35.9 -49.13 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 C-N-CA 125.462 1.505 . . . . 0.0 113.797 -169.224 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -51.22 -39.23 56.11 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 118.706 -0.664 . . . . 0.0 112.403 -169.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.23 -86.92 0.26 Allowed 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 121.476 0.655 . . . . 0.0 112.636 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.4 mp0 -50.76 -46.72 59.53 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 126.455 1.902 . . . . 0.0 114.743 -165.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.4 mt -77.16 -9.89 59.05 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -168.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.1 p -73.76 177.07 5.74 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 118.454 0.57 . . . . 0.0 110.633 -175.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 31.7 pt -50.11 -31.73 7.99 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-O 121.191 0.52 . . . . 0.0 110.955 169.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 157.16 -34.18 0.55 Allowed Glycine 0 CA--C 1.528 0.887 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 -171.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.4 m -150.91 55.38 0.89 Allowed 'General case' 0 CA--C 1.53 0.21 0 O-C-N 121.869 -0.783 . . . . 0.0 111.558 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 48.4 tptt 52.34 22.2 1.95 Allowed 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 167.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.8 tp 43.63 50.41 6.53 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.262 -0.898 . . . . 0.0 110.23 -170.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.25 20.15 2.51 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.959 2.104 . . . . 0.0 114.738 -177.131 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.9 t70 48.28 41.25 15.85 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 126.047 1.739 . . . . 0.0 113.32 173.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.38 139.69 23.99 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 169.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.6 mp0 -48.32 -43.7 33.45 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.8 0.84 . . . . 0.0 108.903 175.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.2 mm -48.9 -47.09 16.6 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 C-N-CA 124.449 1.1 . . . . 0.0 111.427 172.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 67.2 t -70.43 -58.9 4.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 CA-C-N 118.954 0.797 . . . . 0.0 108.921 -176.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.0 pttm -60.92 -33.14 72.69 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 120.097 -0.641 . . . . 0.0 111.89 -174.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 66.8 tp -53.73 -39.37 65.22 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 118.961 -0.542 . . . . 0.0 110.883 172.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 66.9 mtt -90.36 -55.15 3.71 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 122.998 0.519 . . . . 0.0 111.876 -175.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.48 -19.39 56.57 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 126.211 1.804 . . . . 0.0 115.379 -168.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -57.94 -7.19 0.69 Allowed 'General case' 0 CA--C 1.556 1.183 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.541 165.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 pp -36.69 -15.88 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 131.088 3.755 . . . . 0.0 117.413 177.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.41 -17.42 0.76 Allowed 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 119.036 0.835 . . . . 0.0 109.32 163.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -39.61 -46.09 1.74 Allowed 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.899 -0.5 . . . . 0.0 111.699 165.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -63.36 -75.79 0.07 Allowed 'General case' 0 C--N 1.338 0.08 0 N-CA-C 115.097 1.517 . . . . 0.0 115.097 -167.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -63.97 130.12 42.8 Favored 'General case' 0 N--CA 1.436 -1.131 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 -164.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 19.02 43.86 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.389 1 C-N-CA 134.104 4.961 . . . . 0.0 116.035 167.521 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 59.13 -121.76 1.15 Allowed 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.37 1.068 . . . . 0.0 110.575 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -59.66 157.83 11.16 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 119.277 0.944 . . . . 0.0 111.205 -173.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.0 m -122.95 129.14 75.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 113.094 0.775 . . . . 0.0 113.094 -164.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -105.06 -164.66 1.06 Allowed 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 169.614 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -57.64 -40.52 79.45 Favored 'General case' 0 C--N 1.339 0.143 0 CA-C-N 119.053 0.842 . . . . 0.0 110.738 -178.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.76 -61.78 2.04 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 176.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.4 mp0 -56.72 -48.5 77.6 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-O 118.898 -0.572 . . . . 0.0 111.129 -179.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -50.57 -57.48 8.06 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.489 0.715 . . . . 0.0 111.051 178.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 7.6 mm -62.28 -47.1 94.64 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.136 0 CA-C-O 121.066 0.46 . . . . 0.0 110.386 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.408 ' HA ' ' CG2' ' B' ' 74' ' ' ILE . 31.0 m -54.21 -47.5 72.06 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.656 1.182 . . . . 0.0 110.923 -176.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -56.05 -60.65 3.19 Favored 'General case' 0 N--CA 1.436 -1.174 0 C-N-CA 125.039 1.336 . . . . 0.0 110.038 169.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -38.84 -60.88 0.79 Allowed 'General case' 0 C--N 1.343 0.289 0 C-N-CA 124.217 1.007 . . . . 0.0 111.95 176.518 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.19 -53.88 32.16 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 174.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.7 -36.68 57.69 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 118.338 1.069 . . . . 0.0 112.868 -179.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 40.9 mt -51.68 -30.39 21.76 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.805 0.73 . . . . 0.0 111.748 175.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -49.32 -44.83 44.72 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.375 0.67 . . . . 0.0 111.157 173.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 72.3 mtm -62.12 -17.61 58.28 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.245 0.618 . . . . 0.0 112.289 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 20.9 mm -93.66 -70.77 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 C-N-CA 124.033 0.933 . . . . 0.0 109.369 169.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -77.52 -41.04 40.67 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 113.866 1.062 . . . . 0.0 113.866 -168.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -92.53 21.08 5.65 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.579 0.751 . . . . 0.0 111.544 -176.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -51.63 130.82 29.04 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 122.277 1.036 . . . . 0.0 112.095 -168.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 165.07 34.85 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 131.196 3.798 . . . . 0.0 108.609 -174.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -153.87 -40.42 0.09 Allowed 'General case' 0 C--O 1.235 0.299 0 C-N-CA 123.754 0.822 . . . . 0.0 112.874 -171.25 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.83 -59.75 1.97 Allowed 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.158 0.583 . . . . 0.0 112.419 -166.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.269 2.334 0 C-N-CA 125.903 1.716 . . . . 0.0 110.254 -179.116 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 59.1 ttp . . . . . 0 C--O 1.223 -0.29 0 N-CA-C 110.898 -0.038 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.3 61.15 0.63 Allowed 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.294 1.038 . . . . 0.0 113.647 -170.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.52 173.06 2.59 Favored Pre-proline 0 CA--C 1.541 0.604 0 C-N-CA 124.813 1.245 . . . . 0.0 110.116 169.14 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -52.57 -48.56 21.29 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 122.787 2.324 . . . . 0.0 112.747 178.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 5.8 mp -58.69 -58.8 6.97 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 177.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -46.57 -48.36 19.59 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 125.461 1.505 . . . . 0.0 112.158 179.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -53.32 -55.7 22.64 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.097 0.559 . . . . 0.0 110.842 176.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.76 -50.72 71.24 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 122.236 -0.29 . . . . 0.0 110.773 -178.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 58.5 mt -45.97 -43.58 4.74 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 C-N-CA 125.204 1.402 . . . . 0.0 110.049 174.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -40.41 -49.26 3.81 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 124.991 1.281 . . . . 0.0 112.878 172.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 63.3 tp -62.45 -47.49 83.8 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.128 0.964 . . . . 0.0 110.178 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.68 -40.28 94.41 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 119.281 -0.39 . . . . 0.0 110.632 -178.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 71.3 mt -61.28 -51.28 74.89 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.141 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 172.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -45.27 -55.26 6.78 Favored Glycine 0 C--N 1.336 0.55 0 N-CA-C 110.019 -1.232 . . . . 0.0 110.019 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 94.9 mt -60.68 -61.25 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 CA-C-O 119.179 -0.439 . . . . 0.0 110.077 177.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -38.53 -62.77 0.56 Allowed 'General case' 0 C--N 1.344 0.349 0 C-N-CA 125.148 1.379 . . . . 0.0 111.072 179.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . 0.294 0.9 OUTLIER -90.72 16.78 8.58 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -175.195 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 tmtm? -74.66 -50.32 18.11 Favored 'General case' 0 C--N 1.338 0.094 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 166.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -83.21 44.85 0.98 Allowed 'General case' 0 CA--C 1.518 -0.268 0 C-N-CA 124.219 1.008 . . . . 0.0 111.255 -176.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 19.4 m -79.38 51.73 1.26 Allowed 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.455 0.702 . . . . 0.0 110.393 177.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.69 60.16 2.67 Favored Glycine 0 C--N 1.334 0.461 0 N-CA-C 107.705 -2.158 . . . . 0.0 107.705 -178.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 24.7 mmmt 72.48 -67.04 0.28 Allowed 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.992 1.317 . . . . 0.0 108.886 -169.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -152.19 146.38 25.41 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 126.925 2.09 . . . . 0.0 106.443 170.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.98 171.37 27.99 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.574 -0.611 . . . . 0.0 111.574 178.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -76.73 -36.72 56.97 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.181 0.993 . . . . 0.0 112.248 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -32.85 114.59 0.17 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 126.471 1.908 . . . . 0.0 112.985 -169.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -76.06 -22.77 55.28 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -167.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 22.0 p -105.33 163.92 12.24 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.414 1.086 . . . . 0.0 109.968 172.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 85.5 mt -117.27 129.48 55.94 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.805 1.642 . . . . 0.0 109.242 176.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 90.6 p -86.7 153.51 21.68 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 125.12 1.368 . . . . 0.0 108.529 170.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.5 mttp -54.48 -31.92 56.8 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 115.101 1.519 . . . . 0.0 115.101 -169.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 2.2 tmtm? -56.48 -38.15 71.32 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 119.477 1.035 . . . . 0.0 111.672 173.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -68.07 -47.5 68.12 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 178.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.41 -45.22 72.92 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-O 118.552 -0.737 . . . . 0.0 112.447 176.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 9.4 mmpt? -53.86 -31.27 49.02 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 119.119 0.872 . . . . 0.0 111.719 177.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -75.98 -54.96 6.09 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-O 121.944 0.878 . . . . 0.0 110.36 174.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.07 -47.06 75.37 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 125.765 1.626 . . . . 0.0 111.838 -173.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 10.1 pt -67.03 -24.6 32.55 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-N 118.203 0.456 . . . . 0.0 112.165 177.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -61.79 -44.47 96.81 Favored 'General case' 0 N--CA 1.448 -0.528 0 O-C-N 121.99 -0.444 . . . . 0.0 110.077 -169.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -90.83 -102.96 0.1 Allowed 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 -173.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.95 -34.98 12.17 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 120.381 3.474 . . . . 0.0 120.381 -161.187 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -41.15 -50.19 3.51 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 -165.186 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 56.3 p -25.85 -83.56 0.0 OUTLIER 'General case' 0 C--O 1.231 0.102 0 C-N-CA 128.057 2.543 . . . . 0.0 112.417 -169.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mt -106.34 39.46 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 126.276 1.831 . . . . 0.0 107.984 -179.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -26.53 -57.45 0.08 OUTLIER Glycine 0 C--N 1.341 0.834 0 C-N-CA 127.834 2.635 . . . . 0.0 113.885 -170.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 4.4 m -28.58 -48.31 0.06 Allowed 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 127.407 2.283 . . . . 0.0 113.99 174.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 3.4 ptmm? -160.78 62.13 0.3 Allowed 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 123.573 0.749 . . . . 0.0 109.266 170.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -19.87 77.04 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 129.508 3.123 . . . . 0.0 116.38 -177.309 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 39.7 tp60 -83.76 55.75 3.37 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 174.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -75.64 169.94 17.14 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 115.175 -0.92 . . . . 0.0 112.909 -168.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -167.69 158.53 11.14 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 126.161 1.784 . . . . 0.0 110.251 -179.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.51 -50.38 32.06 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.969 0.908 . . . . 0.0 111.887 172.548 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 31.4 pt -57.13 -36.47 51.6 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 O-C-N 121.046 -1.034 . . . . 0.0 111.397 174.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 87.9 t -69.23 -36.12 71.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-O 118.541 -0.742 . . . . 0.0 109.772 178.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 11.6 mmpt? -56.39 -54.1 49.52 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 119.701 1.137 . . . . 0.0 109.737 169.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 95.9 mt -56.94 -40.32 76.16 Favored 'General case' 0 C--O 1.234 0.283 0 O-C-N 122.218 -0.301 . . . . 0.0 111.273 -177.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 72.6 mtm -64.94 -54.08 36.32 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 119.348 -0.358 . . . . 0.0 110.83 173.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -65.68 -20.31 66.24 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.699 1.2 . . . . 0.0 113.204 -174.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -66.49 9.2 0.18 Allowed 'General case' 0 CA--C 1.552 1.054 0 O-C-N 121.525 -0.734 . . . . 0.0 110.628 165.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.6 mt -53.72 -7.75 0.13 Allowed 'General case' 0 C--N 1.348 0.517 0 C-N-CA 127.178 2.191 . . . . 0.0 111.338 165.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -41.68 -28.59 0.15 Allowed 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.887 1.275 . . . . 0.0 109.603 160.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -51.67 -13.52 0.26 Allowed 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.946 1.461 . . . . 0.0 114.946 172.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -25.6 -80.44 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 130.241 3.416 . . . . 0.0 114.792 -169.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 10.4 pttp 178.92 -42.11 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 123.807 0.843 . . . . 0.0 110.847 178.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -71.64 3.2 4.22 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -168.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . 0.263 0.1 OUTLIER 75.74 -103.85 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.44 1.496 . . . . 0.0 112.698 168.411 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -73.72 146.36 44.46 Favored 'General case' 0 C--O 1.231 0.112 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 -176.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 93.7 t -107.76 125.73 64.2 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 CA-C-O 121.606 0.717 . . . . 0.0 112.623 -168.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -101.92 175.55 5.51 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 105.502 -2.036 . . . . 0.0 105.502 165.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -53.73 -45.55 70.56 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 119.189 0.904 . . . . 0.0 111.164 -176.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -53.86 -39.12 65.4 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.077 0.551 . . . . 0.0 110.701 178.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.51 -29.99 37.25 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 119.401 1.001 . . . . 0.0 111.776 -179.344 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -60.91 -46.32 91.12 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 169.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . 0.408 ' CG2' ' HA ' ' A' ' 75' ' ' THR . 24.4 mm -67.46 -37.72 79.39 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 CA-C-O 117.767 -1.111 . . . . 0.0 110.677 177.585 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 2.9 m -38.74 -52.57 1.69 Allowed 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 120.208 1.367 . . . . 0.0 112.018 -179.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -77.49 -49.45 14.73 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 119.535 -0.866 . . . . 0.0 112.283 178.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.25 -37.84 75.73 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 118.933 0.788 . . . . 0.0 111.064 -173.541 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.94 -45.81 79.4 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 124.697 1.141 . . . . 0.0 112.914 169.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.98 -50.39 73.59 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 118.299 1.05 . . . . 0.0 109.353 175.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -52.66 -42.13 64.44 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.187 174.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.96 -46.92 87.16 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 118.814 0.734 . . . . 0.0 110.273 178.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 8.8 ttt -50.92 -45.71 60.52 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 173.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 96.5 mt -67.5 -63.16 0.98 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 122.921 0.489 . . . . 0.0 111.434 -179.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -68.69 -34.97 76.58 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 120.951 -1.093 . . . . 0.0 112.036 -171.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -91.3 25.52 2.53 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.692 1.197 . . . . 0.0 112.07 -175.083 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.31 74.74 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 116.699 2.111 . . . . 0.0 116.699 -168.216 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -118.74 24.89 10.6 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 126.483 1.913 . . . . 0.0 107.639 166.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 4.4 mp -90.72 -41.39 11.3 Favored 'General case' 0 CA--C 1.519 -0.237 0 C-N-CA 124.396 1.078 . . . . 0.0 108.587 -178.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.19 27.95 0.51 Allowed 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 122.839 0.456 . . . . 0.0 111.62 170.229 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.363 0 CA-C-N 118.611 0.641 . . . . 0.0 112.261 175.947 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.3 tmm? . . . . . 0 CA--C 1.533 0.318 0 N-CA-C 110.444 -0.206 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 129.16 33.39 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 130.936 3.694 . . . . 0.0 109.965 -175.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.38 165.72 50.37 Favored Pre-proline 0 CA--C 1.539 0.555 0 C-N-CA 124.731 1.212 . . . . 0.0 108.572 173.107 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -57.08 141.17 94.2 Favored 'Trans proline' 0 N--CA 1.455 -0.791 0 CA-C-N 120.491 1.211 . . . . 0.0 109.689 170.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tt 76.24 -59.13 0.52 Allowed 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 126.362 1.865 . . . . 0.0 109.453 -175.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -42.94 -47.07 5.63 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 126.285 1.834 . . . . 0.0 110.506 174.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -31.23 -40.12 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 126.9 2.08 . . . . 0.0 114.757 169.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.83 -54.27 48.15 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 119.704 1.138 . . . . 0.0 110.885 175.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 45.7 mt -60.92 -47.17 94.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 177.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -44.77 -47.57 9.2 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 124.936 1.255 . . . . 0.0 111.715 172.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -66.2 -51.92 53.01 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.113 0.956 . . . . 0.0 109.841 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.8 mp -52.98 -47.76 67.94 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 118.225 0.466 . . . . 0.0 111.386 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 90.8 mt -65.2 -44.33 95.26 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.135 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 175.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -50.58 -53.6 24.48 Favored Glycine 0 C--O 1.223 -0.593 0 C-N-CA 125.307 1.432 . . . . 0.0 111.179 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 33.9 mm -58.26 -60.98 1.56 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 CA-C-N 117.918 0.859 . . . . 0.0 109.893 178.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -38.79 -59.3 0.97 Allowed 'General case' 0 C--N 1.341 0.212 0 C-N-CA 124.94 1.296 . . . . 0.0 111.401 176.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . 0.331 0.1 OUTLIER -90.07 -12.64 37.83 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 -170.626 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 43.8 tttm -62.06 -45.1 95.05 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 166.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.0 m-30 -78.51 52.35 1.16 Allowed 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 122.583 1.182 . . . . 0.0 110.537 -176.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 83.0 p -161.45 43.87 0.16 Allowed 'General case' 0 N--CA 1.445 -0.716 0 CA-C-O 122.357 1.075 . . . . 0.0 109.49 176.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.17 -42.1 31.41 Favored Glycine 0 CA--C 1.535 1.285 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 175.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.57 -153.96 0.52 Allowed 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 127.137 2.175 . . . . 0.0 105.387 170.658 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 60.68 -92.33 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 120.36 1.437 . . . . 0.0 110.65 176.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.92 -36.41 87.64 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 169.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 43.2 t0 58.49 -179.52 0.07 Allowed 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.576 1.55 . . . . 0.0 111.556 177.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -77.49 57.17 1.51 Allowed 'General case' 0 CA--C 1.539 0.532 0 O-C-N 119.192 -2.192 . . . . 0.0 112.013 -173.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -145.81 -62.41 0.33 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 128.794 2.838 . . . . 0.0 105.537 174.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.57 160.73 19.6 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 127.149 2.18 . . . . 0.0 111.008 -172.452 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.0 tp -94.54 125.42 39.17 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 124.955 1.302 . . . . 0.0 107.786 -176.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.6 m -65.73 131.29 45.97 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.8 pttm -54.97 -32.13 61.31 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.491 -0.755 . . . . 0.0 112.268 176.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.23 -59.2 2.85 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -177.656 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -55.89 -26.27 46.57 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.313 0.961 . . . . 0.0 112.885 173.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.6 tt -54.61 -34.25 61.73 Favored 'General case' 0 C--N 1.342 0.249 0 CA-C-N 120.238 1.381 . . . . 0.0 110.103 171.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . 0.287 5.1 mptt -67.98 -1.18 5.27 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 120.493 -1.38 . . . . 0.0 113.864 176.625 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -74.84 -47.34 30.96 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 163.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 tt -47.16 -52.48 15.44 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 126.845 2.058 . . . . 0.0 109.783 178.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -44.46 96.19 Favored 'Isoleucine or valine' 0 C--N 1.343 0.3 0 C-N-CA 120.33 -0.548 . . . . 0.0 111.202 -176.449 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.17 -60.99 2.89 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 -177.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.403 ' NZ ' ' OE2' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -92.99 -84.18 0.3 Allowed 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.974 1.102 . . . . 0.0 113.974 -173.143 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.403 ' OE2' ' NZ ' ' A' ' 40' ' ' LYS . 18.2 mp0 -44.11 -57.22 3.52 Favored 'General case' 0 C--O 1.231 0.101 0 N-CA-C 115.877 1.806 . . . . 0.0 115.877 -164.396 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . 0.305 0.2 OUTLIER -68.45 -2.25 8.25 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 118.378 -1.329 . . . . 0.0 113.332 -171.79 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.0 m 60.69 -114.77 0.63 Allowed 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.095 -1.003 . . . . 0.0 110.283 168.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.6 mt -65.44 -20.57 27.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 124.042 0.937 . . . . 0.0 111.39 178.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -49.43 130.25 25.37 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.422 -0.671 . . . . 0.0 111.422 175.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.0 m 57.04 26.87 12.47 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.209 0.604 . . . . 0.0 112.28 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.2 mmtm -115.37 17.36 16.53 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.011 0.924 . . . . 0.0 110.042 169.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.4 mp -74.94 72.84 2.13 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.297 1.039 . . . . 0.0 108.262 -175.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.7 tp60 56.67 81.4 0.13 Allowed 'General case' 0 C--N 1.339 0.126 0 C-N-CA 124.933 1.293 . . . . 0.0 107.758 -168.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -53.73 151.6 6.09 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.655 -175.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -165.71 -172.2 2.32 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 125.427 1.491 . . . . 0.0 108.808 -171.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.48 -45.97 28.81 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 106.862 -1.533 . . . . 0.0 106.862 168.45 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 65.4 mt -46.71 -42.57 5.74 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 C-N-CA 125.179 1.391 . . . . 0.0 110.315 171.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 99.5 t -70.11 -25.48 27.75 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 O-C-N 121.442 -0.786 . . . . 0.0 111.635 -178.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -65.97 -45.86 80.17 Favored 'General case' 0 C--O 1.227 -0.123 0 O-C-N 121.048 -1.033 . . . . 0.0 108.998 169.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -57.54 -41.78 81.61 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 110.27 -0.271 . . . . 0.0 110.27 175.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 27.2 ttt -57.48 -52.35 65.75 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 122.131 -0.356 . . . . 0.0 110.628 175.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -61.25 -33.83 74.16 Favored 'General case' 0 CA--C 1.522 -0.127 0 O-C-N 121.413 -0.804 . . . . 0.0 111.85 178.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -67.75 15.99 0.04 OUTLIER 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 170.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.4 mt -55.44 -27.6 49.09 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 120.304 1.411 . . . . 0.0 108.409 163.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.481 ' CG ' HH21 ' A' ' 62' ' ' ARG . 1.0 OUTLIER -46.71 -38.83 10.48 Favored 'General case' 0 C--N 1.346 0.448 0 CA-C-O 121.857 0.837 . . . . 0.0 111.138 169.151 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.481 HH21 ' CG ' ' A' ' 61' ' ' ASP . 0.3 OUTLIER -68.77 -11.18 60.05 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 113.383 0.883 . . . . 0.0 113.383 -176.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -55.36 -38.71 69.14 Favored 'General case' 0 CA--C 1.521 -0.15 0 C-N-CA 123.906 0.882 . . . . 0.0 113.363 -174.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -152.5 162.05 41.74 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 107.192 -1.411 . . . . 0.0 107.192 170.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 75.55 -35.49 0.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 127.081 2.152 . . . . 0.0 112.788 169.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 74.24 -73.0 0.1 Allowed 'General case' 0 N--CA 1.457 -0.088 0 C-N-CA 125.751 1.62 . . . . 0.0 109.424 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -80.9 78.89 7.66 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 105.052 -2.203 . . . . 0.0 105.052 169.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 13.0 m -52.72 147.93 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 N-CA-C 115.874 1.805 . . . . 0.0 115.874 -166.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.2 p30 -81.9 174.93 10.83 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.494 1.118 . . . . 0.0 110.051 169.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -61.74 -37.06 82.84 Favored 'General case' 0 C--O 1.225 -0.22 0 C-N-CA 123.56 0.744 . . . . 0.0 112.452 -176.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -64.44 -51.06 65.03 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 118.899 0.772 . . . . 0.0 109.951 176.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.25 -49.55 73.85 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.476 0.58 . . . . 0.0 110.173 178.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -47.16 -58.26 4.25 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.608 0.763 . . . . 0.0 110.73 171.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.3 mm -57.74 -43.76 84.52 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 C-N-CA 123.967 0.907 . . . . 0.0 111.478 -176.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -54.08 -52.34 61.27 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 115.366 1.617 . . . . 0.0 115.366 -167.357 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . 0.274 24.2 p90 -65.39 -43.05 91.88 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 117.526 -1.669 . . . . 0.0 111.222 -178.6 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 44.5 mt -50.9 -48.69 60.43 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.299 0.64 . . . . 0.0 110.347 176.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -60.11 -59.07 11.06 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 176.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.7 -54.24 10.05 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 124.407 1.083 . . . . 0.0 110.777 -178.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 39.0 mt -56.98 -23.44 45.9 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.502 1.121 . . . . 0.0 112.164 -178.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.21 -42.57 69.93 Favored 'General case' 0 C--N 1.339 0.139 0 CA-C-N 119.842 1.201 . . . . 0.0 111.249 173.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 67.0 mtm -59.97 -21.04 60.71 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 119.034 -0.508 . . . . 0.0 111.256 178.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 32.2 mm -91.74 -73.7 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 C-N-CA 124.201 1.0 . . . . 0.0 110.549 172.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . 0.256 0.1 OUTLIER -71.31 -21.81 62.02 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 114.509 1.299 . . . . 0.0 114.509 -168.066 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -91.18 22.59 3.71 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 119.286 0.948 . . . . 0.0 111.434 -176.267 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -47.79 142.41 4.77 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-O 122.946 1.355 . . . . 0.0 112.942 -169.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 144.51 -44.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 1 C-N-CA 132.896 4.478 . . . . 0.0 104.737 -169.048 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -20.75 66.09 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.848 1.259 . . . . 0.0 114.242 -174.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.598 ' O ' ' OXT' ' A' ' 90' ' ' GLY . 27.2 mtmm -100.46 -49.69 4.15 Favored 'General case' 0 C--N 1.342 0.26 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 168.376 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.598 ' OXT' ' O ' ' A' ' 89' ' ' LYS . . . . . . . . 0 C--O 1.27 2.354 0 N-CA-C 110.407 -1.077 . . . . 0.0 110.407 171.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.5 tmm? . . . . . 0 CA--C 1.534 0.335 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 94.2 63.37 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 128.731 2.812 . . . . 0.0 109.675 -175.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 13.3 m -154.29 149.09 19.85 Favored Pre-proline 0 CA--C 1.53 0.206 0 C-N-CA 124.61 1.164 . . . . 0.0 108.186 172.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -50.7 -48.63 19.74 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 123.27 2.647 . . . . 0.0 112.987 -169.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 pp -55.84 -43.61 77.21 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 122.357 0.263 . . . . 0.0 111.615 175.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -51.09 56.77 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.845 0.858 . . . . 0.0 109.094 -176.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -54.9 -47.83 73.83 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 122.991 0.516 . . . . 0.0 110.315 176.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.19 -52.54 64.89 Favored 'General case' 0 CA--C 1.531 0.228 0 O-C-N 122.059 -0.4 . . . . 0.0 111.288 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 59.2 mt -53.33 -51.56 39.53 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 177.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.09 -50.88 43.77 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 123.913 0.768 . . . . 0.0 111.324 175.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 7.8 tt -54.59 -55.62 27.47 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.623 0.769 . . . . 0.0 109.445 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 8.9 mp -54.13 -49.74 68.5 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 118.279 0.491 . . . . 0.0 110.642 177.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 48.1 mt -64.53 -31.07 52.09 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 123.354 0.661 . . . . 0.0 112.256 -175.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -84.47 -51.0 4.04 Favored Glycine 0 CA--C 1.532 1.105 0 C-N-CA 124.171 0.891 . . . . 0.0 111.78 179.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 7.5 tt -58.67 -32.79 47.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 O-C-N 122.047 -0.678 . . . . 0.0 109.938 -177.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -35.79 -43.85 0.32 Allowed 'General case' 0 C--N 1.343 0.319 0 C-N-CA 126.109 1.764 . . . . 0.0 113.772 168.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -94.31 -46.26 7.13 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 120.792 0.329 . . . . 0.0 111.505 -178.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 8.8 mmtm -48.3 -33.55 9.03 Favored 'General case' 0 N--CA 1.462 0.127 0 N-CA-C 117.408 2.374 . . . . 0.0 117.408 -167.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . 0.269 14.1 m-30 -55.87 143.72 30.57 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.215 0.916 . . . . 0.0 112.975 -168.169 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 16.9 m 71.49 -28.54 0.18 Allowed 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 127.736 2.415 . . . . 0.0 113.081 -166.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 53.3 33.2 45.75 Favored Glycine 0 CA--C 1.529 0.914 0 CA-C-N 119.791 1.178 . . . . 0.0 111.937 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -154.58 -82.11 0.08 Allowed 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 -174.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 49.1 mp0 -64.28 -72.9 0.13 Allowed 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.041 0.536 . . . . 0.0 110.444 177.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.56 -75.23 0.27 Allowed Glycine 0 CA--C 1.525 0.69 0 C-N-CA 124.892 1.234 . . . . 0.0 110.995 -177.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 24.7 t0 48.19 -65.87 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 129.192 2.997 . . . . 0.0 117.184 171.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 48.9 mttp -102.37 -34.15 9.29 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 128.118 2.567 . . . . 0.0 111.014 -173.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 35.0 p80 -120.76 -158.38 0.75 Allowed 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.67 0.788 . . . . 0.0 110.926 -169.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 15.1 p -44.7 140.74 2.34 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 126.412 1.885 . . . . 0.0 111.239 171.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 52.0 mt -70.47 124.52 24.4 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.07 60.79 4.37 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 124.199 1.0 . . . . 0.0 109.914 -175.387 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp 68.71 -76.93 0.05 Allowed 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 124.57 1.148 . . . . 0.0 112.898 172.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -55.06 -45.63 75.32 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 119.484 1.038 . . . . 0.0 110.729 -170.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -44.82 -39.34 5.22 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.789 0.836 . . . . 0.0 112.797 172.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.58 -36.41 69.33 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 119.091 0.86 . . . . 0.0 110.775 -178.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 27.8 mmtt -62.91 -24.58 67.91 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 120.988 -1.07 . . . . 0.0 113.133 -177.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -60.15 -49.69 76.65 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-O 122.187 0.994 . . . . 0.0 109.023 172.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 tt -54.04 -54.03 44.92 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 114.726 -1.124 . . . . 0.0 109.144 177.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . 0.282 0.8 OUTLIER -63.98 -43.13 97.57 Favored 'Isoleucine or valine' 0 C--N 1.341 0.219 0 C-N-CA 119.037 -1.065 . . . . 0.0 111.815 -173.579 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -67.85 -45.87 73.39 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 118.764 -1.175 . . . . 0.0 111.12 -177.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -94.26 -90.18 0.21 Allowed 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 16.2 mp0 -47.92 -29.27 3.21 Favored 'General case' 0 N--CA 1.462 0.141 0 N-CA-C 116.701 2.111 . . . . 0.0 116.701 -165.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 70.2 mt -54.49 -22.44 12.86 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 119.844 1.202 . . . . 0.0 113.023 174.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 31.1 m 77.76 -58.49 0.47 Allowed 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 125.063 1.345 . . . . 0.0 112.34 169.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 pp 27.99 59.43 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 128.02 2.528 . . . . 0.0 114.882 169.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -117.95 -170.6 15.1 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 125.259 1.409 . . . . 0.0 111.015 -178.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 5.6 m 75.74 -55.12 0.62 Allowed 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 125.513 1.525 . . . . 0.0 113.152 168.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -74.69 -64.62 1.0 Allowed 'General case' 0 CA--C 1.528 0.122 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 174.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 11.0 mp -110.59 136.88 49.03 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 102.163 -3.273 . . . . 0.0 102.163 168.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -84.11 53.17 2.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 118.963 0.801 . . . . 0.0 109.389 -174.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 40.1 t0 61.72 165.67 0.1 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.887 1.675 . . . . 0.0 111.248 -171.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . 176.59 156.04 0.25 Allowed 'General case' 0 C--O 1.231 0.114 0 C-N-CA 126.07 1.748 . . . . 0.0 109.316 177.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -49.06 -41.97 37.02 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.562 1.145 . . . . 0.0 109.657 169.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 80.4 mt -56.01 -45.47 80.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 C-N-CA 124.111 0.964 . . . . 0.0 110.432 175.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 87.3 t -69.51 -43.01 80.96 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 -177.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 40.6 mttm -59.09 -39.31 81.78 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 121.955 -0.466 . . . . 0.0 110.392 175.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 10.1 tt -61.9 -47.67 83.92 Favored 'General case' 0 C--O 1.225 -0.23 0 C-N-CA 123.426 0.691 . . . . 0.0 109.961 174.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 13.2 tpt -52.25 -49.22 64.48 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.928 0.786 . . . . 0.0 109.943 173.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -69.1 0.01 5.25 Favored 'General case' 0 C--N 1.333 -0.123 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -62.28 -7.68 4.65 Favored 'General case' 0 CA--C 1.539 0.519 0 O-C-N 121.15 -0.969 . . . . 0.0 111.073 168.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 18.9 mt -41.45 -11.06 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 128.172 2.589 . . . . 0.0 114.798 168.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -49.43 -21.0 0.8 Allowed 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.198 -0.939 . . . . 0.0 111.144 163.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -39.97 -37.97 0.65 Allowed 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.665 1.186 . . . . 0.0 111.642 166.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -48.2 -30.2 4.45 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -177.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.58 43.91 2.11 Favored 'General case' 0 CA--C 1.53 0.173 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 169.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 19.3 t70 19.36 56.4 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 128.196 2.598 . . . . 0.0 113.614 -169.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . 0.282 10.2 pt20 49.5 10.61 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 117.395 2.368 . . . . 0.0 117.395 -179.367 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -83.38 62.76 6.91 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 106.063 -1.828 . . . . 0.0 106.063 169.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -74.13 135.21 27.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 116.183 1.92 . . . . 0.0 116.183 -163.308 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -99.88 155.15 17.83 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 125.548 1.539 . . . . 0.0 107.049 165.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -52.76 -43.61 65.91 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 118.31 0.505 . . . . 0.0 110.769 -178.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -40.88 -56.54 2.2 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.434 1.094 . . . . 0.0 110.902 171.276 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -76.59 -45.78 28.91 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 125.38 1.472 . . . . 0.0 110.2 -168.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -47.21 -49.13 23.56 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.875 1.67 . . . . 0.0 108.755 170.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 21.1 mm -67.96 -45.4 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 CA-C-O 118.286 -0.864 . . . . 0.0 111.519 175.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 48.9 m -47.65 -51.33 21.92 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 119.97 1.259 . . . . 0.0 108.734 177.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -59.45 -58.98 6.22 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 126.251 1.821 . . . . 0.0 111.521 178.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 14.7 mt -49.99 -46.82 52.97 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.455 0.571 . . . . 0.0 111.505 177.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -62.84 -46.39 93.71 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 125.742 1.639 . . . . 0.0 112.279 178.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.96 -54.53 45.58 Favored 'General case' 0 C--N 1.338 0.104 0 CA-C-N 117.989 0.895 . . . . 0.0 108.873 176.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.15 -30.44 71.59 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.384 -178.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.86 -41.72 71.14 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-N 119.498 1.044 . . . . 0.0 112.102 175.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 59.8 mtm -61.83 -16.62 51.61 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 118.753 -0.641 . . . . 0.0 112.213 176.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 25.1 mt -91.27 -71.79 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 124.947 1.299 . . . . 0.0 109.14 169.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -63.45 -39.11 93.61 Favored 'General case' 0 N--CA 1.464 0.252 0 O-C-N 120.513 -1.367 . . . . 0.0 112.264 -170.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -93.68 24.5 4.05 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.991 1.316 . . . . 0.0 111.934 173.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -34.91 -42.6 0.16 Allowed 'General case' 0 C--O 1.239 0.517 0 N-CA-C 116.746 2.128 . . . . 0.0 116.746 -169.69 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . 0.417 ' O ' ' OXT' ' B' ' 90' ' ' GLY . . . -51.34 -19.69 1.41 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 126.412 1.885 . . . . 0.0 113.318 -179.222 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 1.9 pp -51.73 -32.18 29.43 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 118.363 0.529 . . . . 0.0 111.343 171.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -76.24 63.45 1.9 Allowed 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 169.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . 0.417 ' OXT' ' O ' ' B' ' 87' ' ' ALA . . . . . . . . 0 C--O 1.269 2.33 0 N-CA-C 108.355 -1.898 . . . . 0.0 108.355 -169.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.6 ptp . . . . . 0 CA--C 1.534 0.355 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.97 -115.7 0.3 Allowed 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.739 1.216 . . . . 0.0 110.64 -172.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 p -84.34 109.19 17.8 Favored Pre-proline 0 N--CA 1.451 -0.421 0 CA-C-O 116.19 -1.862 . . . . 0.0 108.451 -170.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_exo -25.53 -30.97 0.01 OUTLIER 'Trans proline' 0 C--N 1.351 0.668 1 C-N-CA 128.393 6.062 . . . . 0.0 120.719 -168.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.1 mp -51.66 -42.51 62.15 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 119.818 1.19 . . . . 0.0 109.832 169.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -55.13 -54.16 46.76 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.087 0.955 . . . . 0.0 110.382 178.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -60.98 -43.96 98.06 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 125.242 1.417 . . . . 0.0 110.198 178.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.35 -46.0 92.07 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 122.91 0.484 . . . . 0.0 111.524 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.8 mt -57.88 -54.7 28.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 172.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -44.86 -43.87 8.47 Favored Glycine 0 C--N 1.337 0.624 0 C-N-CA 126.568 2.032 . . . . 0.0 111.89 -179.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.9 tp -82.1 -65.66 0.98 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 117.988 0.894 . . . . 0.0 110.941 173.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 68.4 mt -63.66 -51.7 63.95 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 -165.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.3 mt -77.05 -30.95 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 CA-C-N 119.751 1.16 . . . . 0.0 109.596 174.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.63 -81.96 0.06 OUTLIER Glycine 0 CA--C 1.528 0.88 0 CA-C-O 118.585 -1.12 . . . . 0.0 111.636 173.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.2 mp -38.69 -57.6 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 126.38 1.872 . . . . 0.0 110.565 -177.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -31.14 -58.17 0.23 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.983 1.713 . . . . 0.0 113.438 170.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -95.55 -4.82 44.02 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 116.952 2.204 . . . . 0.0 116.952 173.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 tmmm? -67.57 -53.77 25.5 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 106.221 -1.77 . . . . 0.0 106.221 172.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -68.82 149.73 48.62 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 105.223 -2.14 . . . . 0.0 105.223 166.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.6 m 78.18 -49.17 0.48 Allowed 'General case' 0 CA--C 1.528 0.101 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 -165.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.21 -48.74 66.89 Favored Glycine 0 CA--C 1.529 0.919 0 N-CA-C 109.641 -1.383 . . . . 0.0 109.641 171.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -45.66 -64.1 0.81 Allowed 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 125.344 1.458 . . . . 0.0 111.994 177.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -67.2 -41.88 85.11 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -178.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.55 114.06 0.41 Allowed Glycine 0 CA--C 1.527 0.789 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 -177.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.465 ' CG ' ' HZ3' ' A' ' 26' ' ' LYS . 29.9 t70 78.17 148.28 0.1 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 127.624 2.37 . . . . 0.0 115.714 168.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.465 ' HZ3' ' CG ' ' A' ' 25' ' ' ASP . 0.0 OUTLIER -76.23 93.68 3.43 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.344 1.058 . . . . 0.0 110.061 179.575 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 20.4 p80 -137.81 -175.31 4.04 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 124.017 0.927 . . . . 0.0 109.222 175.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.9 p -66.96 151.88 46.8 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 127.268 2.227 . . . . 0.0 108.599 175.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 72.1 mt -70.37 106.46 3.39 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.044 0.938 . . . . 0.0 109.996 -170.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.9 p -76.67 63.48 2.13 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.896 0.878 . . . . 0.0 112.578 -178.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.309 0.0 OUTLIER 61.12 -66.97 0.06 Allowed 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 128.286 2.634 . . . . 0.0 115.808 173.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.9 pttp -51.59 -42.98 62.31 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.634 0.774 . . . . 0.0 110.132 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -40.94 -56.78 2.16 Favored 'General case' 0 C--O 1.222 -0.387 0 C-N-CA 123.752 0.821 . . . . 0.0 111.368 170.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -61.11 -46.6 89.94 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 -170.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -62.98 -36.89 85.03 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 121.018 0.437 . . . . 0.0 110.614 179.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -68.24 -34.7 76.69 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.255 1.022 . . . . 0.0 111.38 176.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 tt -73.87 -61.08 1.97 Allowed 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 127.259 2.224 . . . . 0.0 110.453 -174.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.4 tt -46.29 -34.74 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 C-N-CA 125.579 1.551 . . . . 0.0 113.116 -169.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -58.46 -56.13 26.12 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 122.904 0.482 . . . . 0.0 111.804 176.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . 0.315 12.6 pttm -97.63 -83.14 0.4 Allowed 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 118.537 2.792 . . . . 0.0 118.537 -168.586 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . 0.252 22.1 mt-10 -57.8 -39.2 76.98 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 116.46 2.022 . . . . 0.0 116.46 -163.486 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . 0.261 0.4 OUTLIER -75.22 24.27 0.1 Allowed 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 115.376 1.621 . . . . 0.0 115.376 -175.598 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.9 m 81.68 -82.88 0.02 OUTLIER 'General case' 0 C--O 1.227 -0.109 0 C-N-CA 125.377 1.471 . . . . 0.0 110.337 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.289 11.3 tp 57.68 -34.06 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 130.703 3.601 . . . . 0.0 116.295 -178.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -52.84 -33.1 42.37 Favored Glycine 0 CA--C 1.528 0.881 0 C-N-CA 124.738 1.161 . . . . 0.0 112.045 178.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.417 ' C ' ' H ' ' A' ' 48' ' ' LEU . 1.1 p -54.92 -27.04 40.19 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 125.102 1.361 . . . . 0.0 112.261 174.599 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 45.6 tttt -72.08 31.5 0.06 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.636 1.174 . . . . 0.0 112.12 172.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.417 ' H ' ' C ' ' A' ' 46' ' ' SER . 61.5 mt 51.18 60.15 4.09 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.843 1.257 . . . . 0.0 109.315 -173.469 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.5 tp60 72.68 -47.83 0.67 Allowed 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 126.641 1.976 . . . . 0.0 112.324 -173.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 46.8 t0 103.25 162.85 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 129.654 3.182 . . . . 0.0 109.467 -172.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -115.2 119.4 36.23 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 126.153 1.781 . . . . 0.0 106.794 174.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.503 ' CD ' ' HZ1' ' A' ' 55' ' ' LYS . 43.7 mm-40 -62.64 -36.3 82.37 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 118.471 0.578 . . . . 0.0 110.848 -170.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 20.3 tt -53.47 -37.37 29.93 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.259 170.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.7 t -80.63 -34.38 14.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-N 118.397 0.544 . . . . 0.0 110.29 175.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.503 ' HZ1' ' CD ' ' A' ' 52' ' ' GLU . 2.3 ttmp? -53.91 -42.21 68.5 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 120.814 -1.179 . . . . 0.0 110.427 173.406 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.9 mp -61.28 -13.57 19.88 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.235 1.014 . . . . 0.0 113.116 174.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 73.2 mtp -91.09 -49.49 6.37 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 168.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.492 ' C ' ' H ' ' A' ' 60' ' ' LEU . 87.5 m-20 -73.18 -6.61 46.93 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 114.922 1.452 . . . . 0.0 114.922 -172.248 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . 0.254 4.3 p-10 -70.2 32.52 0.04 OUTLIER 'General case' 0 CA--C 1.557 1.228 0 CA-C-N 119.925 1.239 . . . . 0.0 109.861 163.501 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.492 ' H ' ' C ' ' A' ' 58' ' ' ASP . 4.0 pp -57.11 -6.72 0.41 Allowed 'General case' 0 C--N 1.347 0.474 0 C-N-CA 130.739 3.616 . . . . 0.0 113.794 -170.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -47.48 -27.86 1.93 Allowed 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 163.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.6 ttm-85 -30.35 -44.85 0.06 Allowed 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 126.485 1.914 . . . . 0.0 112.555 167.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -43.75 -48.5 8.04 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 126.134 1.773 . . . . 0.0 113.898 -177.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -125.43 83.43 2.16 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 117.928 -1.034 . . . . 0.0 109.23 -175.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.1 p30 57.66 -15.57 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 117.665 2.468 . . . . 0.0 117.665 168.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . 0.25 25.3 mt-30 77.7 -9.2 1.55 Allowed 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 127.47 2.308 . . . . 0.0 113.228 178.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.13 82.63 5.28 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 104.347 -2.464 . . . . 0.0 104.347 166.703 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.7 m -94.92 138.71 20.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-O 121.366 0.603 . . . . 0.0 111.972 -171.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -98.85 -175.91 3.19 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 124.043 0.937 . . . . 0.0 108.841 176.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -52.36 -38.13 58.01 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 119.03 -0.51 . . . . 0.0 110.486 -179.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -55.2 -65.55 0.57 Allowed 'General case' 0 C--O 1.234 0.256 0 CA-C-N 118.764 0.711 . . . . 0.0 111.647 178.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -66.28 -39.98 89.78 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 118.233 -1.387 . . . . 0.0 109.0 -171.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -46.25 -60.94 2.01 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.083 0.953 . . . . 0.0 111.465 172.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 8.2 tp -71.51 -35.18 55.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 O-C-N 121.666 -0.647 . . . . 0.0 110.466 -172.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 31.0 m -60.78 -45.14 95.51 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 176.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -59.46 -55.26 36.88 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 125.138 1.375 . . . . 0.0 110.579 174.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 33.0 mt -49.88 -55.57 13.86 Favored 'General case' 0 C--O 1.225 -0.205 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 177.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.09 -53.36 43.1 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.762 -0.535 . . . . 0.0 111.762 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.03 -56.24 24.56 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -175.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 86.9 mt -63.86 -43.97 94.51 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 119.54 -0.267 . . . . 0.0 110.51 -177.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.53 -43.15 75.48 Favored 'General case' 0 CA--C 1.523 -0.096 0 CA-C-N 118.378 0.535 . . . . 0.0 110.957 178.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 3.3 ttt -55.73 -27.61 51.5 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 177.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.2 mp -83.86 -72.52 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 168.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -56.89 -44.15 82.03 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 114.849 1.425 . . . . 0.0 114.849 -167.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . 0.27 40.6 m-20 -77.23 31.79 0.15 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.028 1.331 . . . . 0.0 112.565 177.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -16.6 -52.83 0.0 OUTLIER 'General case' 0 C--N 1.344 0.367 0 C-N-CA 130.254 3.422 . . . . 0.0 115.978 -170.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 1.002 ' O ' ' OXT' ' A' ' 90' ' ' GLY . . . -32.94 -37.73 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 126.386 1.874 . . . . 0.0 113.584 172.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -32.1 -50.43 0.22 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.838 1.655 . . . . 0.0 113.012 169.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -81.06 66.43 6.59 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 176.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 1.002 ' OXT' ' O ' ' A' ' 87' ' ' ALA . . . . . . . . 0 C--O 1.27 2.396 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 -176.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.538 0.488 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 49.42 32.44 4.65 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.118 1.367 . . . . 0.0 113.209 169.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 37.9 m -106.39 172.05 4.24 Favored Pre-proline 0 CA--C 1.537 0.47 0 C-N-CA 126.215 1.806 . . . . 0.0 107.277 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -41.67 -48.09 5.85 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.824 3.016 . . . . 0.0 115.46 -169.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 10.9 mp -55.15 -42.96 73.76 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 122.899 0.48 . . . . 0.0 111.707 178.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -76.3 -45.07 34.1 Favored 'General case' 0 C--O 1.226 -0.178 0 O-C-N 121.81 -0.556 . . . . 0.0 109.816 177.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -56.22 -30.33 62.21 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.377 0.671 . . . . 0.0 111.996 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.0 -43.14 77.4 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.644 -0.66 . . . . 0.0 111.52 170.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 26.2 mt -66.77 -43.78 89.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 169.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -38.72 -45.63 2.06 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 125.414 1.483 . . . . 0.0 112.868 172.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 33.6 tp -52.98 -37.25 61.17 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.954 1.377 . . . . 0.0 112.354 178.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.1 mp -64.84 -30.96 71.98 Favored 'General case' 0 CA--C 1.532 0.275 0 O-C-N 121.268 -0.895 . . . . 0.0 110.735 176.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 16.0 mt -67.08 -48.05 80.17 Favored 'Isoleucine or valine' 0 C--N 1.341 0.207 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 168.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -45.5 -50.02 10.89 Favored Glycine 0 CA--C 1.525 0.698 0 C-N-CA 124.659 1.123 . . . . 0.0 111.21 176.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 39.0 mm -68.16 -60.48 2.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 123.55 0.74 . . . . 0.0 110.175 176.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -39.13 -64.54 0.45 Allowed 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 125.261 1.424 . . . . 0.0 110.81 178.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . 0.34 1.6 m-70 -90.6 21.66 3.89 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 116.248 1.944 . . . . 0.0 116.248 178.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -59.13 -46.03 89.4 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 105.484 -2.043 . . . . 0.0 105.484 165.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -79.9 124.92 29.09 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 126.874 2.07 . . . . 0.0 108.837 169.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.5 p -47.92 -49.45 30.04 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 168.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 71.05 63.0 3.29 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 124.494 1.045 . . . . 0.0 113.472 -175.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 36.4 mmtm -30.99 -61.77 0.18 Allowed 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 -169.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -41.03 -32.38 0.24 Allowed 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 126.567 1.947 . . . . 0.0 114.375 -174.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -144.97 30.96 1.77 Allowed Glycine 0 CA--C 1.527 0.819 0 CA-C-O 119.609 -0.551 . . . . 0.0 112.655 175.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -27.74 -60.03 0.11 Allowed 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 126.878 2.071 . . . . 0.0 116.103 -168.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 19.6 mttp -63.04 -14.69 51.17 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.703 1.201 . . . . 0.0 113.153 -171.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -144.25 -68.21 0.32 Allowed 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 118.949 0.795 . . . . 0.0 111.203 -178.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.24 -177.46 6.65 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 127.884 2.474 . . . . 0.0 109.51 -177.23 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 10.0 tp -127.18 153.42 46.09 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.673 1.189 . . . . 0.0 109.244 -172.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 99.0 p -83.97 147.87 27.21 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.228 0.611 . . . . 0.0 109.448 177.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.78 -45.66 93.52 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 107.035 -1.469 . . . . 0.0 107.035 169.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.07 -54.16 39.57 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 117.93 -1.034 . . . . 0.0 111.307 -174.016 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -75.31 -28.92 59.87 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 119.606 1.094 . . . . 0.0 110.965 -177.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 4.5 tt -58.59 -38.3 77.64 Favored 'General case' 0 C--N 1.341 0.236 0 C-N-CA 119.918 -0.713 . . . . 0.0 109.264 171.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.58 -49.35 62.28 Favored 'General case' 0 C--N 1.345 0.386 0 CA-C-N 119.485 1.038 . . . . 0.0 111.207 -176.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 25.8 mp0 -54.15 -51.94 62.7 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 119.783 1.174 . . . . 0.0 111.96 173.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 tt -47.38 -58.65 3.92 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.178 1.391 . . . . 0.0 110.311 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -68.4 -48.49 72.58 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.242 0 O-C-N 122.039 -0.413 . . . . 0.0 110.729 -179.287 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -46.2 -58.21 3.86 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.45 1.1 . . . . 0.0 111.181 -177.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 6.4 tptp -97.34 -42.62 7.68 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 -172.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -91.92 -71.22 0.65 Allowed 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 -164.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . 0.275 1.0 OUTLIER -79.42 3.17 19.26 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 -167.184 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.2 p -76.46 -107.48 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.901 1.228 . . . . 0.0 111.018 174.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 15.1 mt -94.51 -32.53 4.66 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 C-N-CA 123.868 0.867 . . . . 0.0 108.758 -177.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.22 62.49 1.57 Allowed Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 108.998 -1.641 . . . . 0.0 108.998 -179.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 5.8 m 73.44 -29.3 0.2 Allowed 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 115.334 1.605 . . . . 0.0 115.334 169.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 33.4 mttp -39.21 -58.26 1.2 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.062 1.745 . . . . 0.0 113.297 -170.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.34 43.14 2.68 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.825 0.85 . . . . 0.0 109.786 170.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 53.92 43.19 31.22 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.742 1.617 . . . . 0.0 112.018 178.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 54.41 -146.4 0.56 Allowed 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.862 1.265 . . . . 0.0 111.792 171.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -162.27 94.53 0.9 Allowed 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 119.322 0.964 . . . . 0.0 112.4 -169.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . 0.422 ' OE1' ' NZ ' ' B' ' 55' ' ' LYS . 26.7 mm-40 -48.12 -40.59 24.06 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.495 1.118 . . . . 0.0 111.385 169.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 38.4 mm -56.74 -42.8 78.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 123.543 0.737 . . . . 0.0 110.693 177.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 74.6 t -68.9 -47.68 74.58 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.204 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 176.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.422 ' NZ ' ' OE1' ' B' ' 52' ' ' GLU . 23.8 ttpt -50.8 -44.89 59.12 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 122.744 0.418 . . . . 0.0 111.702 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 9.3 tt -51.27 -39.16 56.15 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.437 0.695 . . . . 0.0 111.461 176.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 28.0 ttt -77.35 -55.64 5.23 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 176.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -56.69 -23.85 44.92 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 124.409 1.083 . . . . 0.0 112.594 -173.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -49.65 -15.67 0.18 Allowed 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 119.027 0.831 . . . . 0.0 112.977 169.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 7.6 tt -43.04 -22.62 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 128.679 2.792 . . . . 0.0 112.48 165.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -45.77 -28.52 1.07 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 119.796 1.18 . . . . 0.0 111.418 167.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.57 13.21 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 115.184 1.55 . . . . 0.0 115.184 171.088 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -28.46 -57.45 0.12 Allowed 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 128.302 2.641 . . . . 0.0 114.415 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . 0.406 ' HZ1' ' CD ' ' B' ' 72' ' ' GLU . 18.6 pttm -120.17 20.95 11.95 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.63 1.172 . . . . 0.0 110.326 179.617 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 7.5 t0 25.68 41.52 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 130.579 3.552 . . . . 0.0 113.268 -167.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -149.44 145.27 26.84 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 -179.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 28.59 81.67 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 127.049 2.14 . . . . 0.0 114.295 169.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 16.4 t -70.22 119.66 16.69 Favored 'Isoleucine or valine' 0 C--O 1.231 0.117 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 -178.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -92.24 169.57 10.5 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.305 0.574 . . . . 0.0 110.503 178.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -54.19 -43.84 71.05 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.809 0.844 . . . . 0.0 110.95 -178.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -59.1 -44.96 91.98 Favored 'General case' 0 N--CA 1.456 -0.158 0 O-C-N 121.953 -0.467 . . . . 0.0 110.511 179.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.406 ' CD ' ' HZ1' ' B' ' 64' ' ' LYS . 19.6 mt-10 -61.39 -60.29 3.94 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 176.377 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -39.32 -52.97 2.0 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 125.39 1.476 . . . . 0.0 112.348 176.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 5.2 tp -75.12 -16.1 15.93 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -170.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 98.6 m -55.47 -56.19 23.02 Favored 'General case' 0 C--N 1.341 0.238 0 CA-C-N 118.82 0.736 . . . . 0.0 111.78 -170.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.83 -43.95 94.69 Favored 'General case' 0 CA--C 1.521 -0.146 0 O-C-N 122.046 -0.409 . . . . 0.0 110.118 -177.363 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -43.24 -55.96 3.72 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.16 0.584 . . . . 0.0 110.005 170.423 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.99 -53.72 38.34 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 124.18 0.895 . . . . 0.0 112.659 176.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.57 -49.03 77.71 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 118.006 0.903 . . . . 0.0 111.557 -177.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 52.2 mt -73.44 -26.67 61.04 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.335 1.054 . . . . 0.0 111.593 -176.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -31.1 -66.93 0.1 Allowed 'General case' 0 C--O 1.222 -0.38 0 C-N-CA 127.152 2.181 . . . . 0.0 113.664 -172.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 51.9 mtp -72.28 -13.62 61.55 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -170.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 3.5 mp -82.09 -65.61 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 106.829 -1.545 . . . . 0.0 106.829 172.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . 0.356 0.0 OUTLIER -79.41 32.95 0.24 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.363 1.465 . . . . 0.0 113.08 -177.242 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -41.59 -36.04 0.85 Allowed 'General case' 0 C--O 1.232 0.136 0 N-CA-C 116.884 2.179 . . . . 0.0 116.884 -167.05 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.982 ' O ' ' OXT' ' B' ' 90' ' ' GLY . 0.0 OUTLIER -73.57 -51.59 16.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 119.444 1.02 . . . . 0.0 108.604 173.806 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.4 -29.04 67.44 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 124.589 1.156 . . . . 0.0 112.539 -176.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.45 -33.42 44.26 Favored 'General case' 0 C--N 1.342 0.273 0 CA-C-N 118.642 0.655 . . . . 0.0 109.578 178.239 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.91 51.6 2.02 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 170.756 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . 0.982 ' OXT' ' O ' ' B' ' 86' ' ' GLU . . . . . . . . 0 C--O 1.27 2.358 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.8 mtm . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.34 105.47 0.51 Allowed 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 124.672 1.189 . . . . 0.0 108.549 175.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.7 p -64.9 170.84 3.56 Favored Pre-proline 0 C--N 1.327 -0.375 0 C-N-CA 123.664 0.786 . . . . 0.0 109.679 175.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -54.21 -30.52 61.83 Favored 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 121.655 1.57 . . . . 0.0 112.054 168.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.2 mp -69.56 -51.62 33.77 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -53.49 -49.03 68.38 Favored 'General case' 0 C--O 1.227 -0.116 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 176.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -54.51 -54.99 33.78 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.933 0.893 . . . . 0.0 110.926 176.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.86 -51.51 67.28 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.11 0.564 . . . . 0.0 110.916 -178.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.2 mt -53.77 -47.67 62.37 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 174.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.59 -47.54 29.59 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 125.689 1.614 . . . . 0.0 112.211 173.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.11 -52.36 65.69 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 118.907 1.354 . . . . 0.0 110.403 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -57.64 -44.66 85.78 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 122.451 0.3 . . . . 0.0 111.135 -179.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 36.6 mt -63.17 -44.17 99.22 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 123.941 0.896 . . . . 0.0 110.236 175.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.16 -63.91 4.89 Favored Glycine 0 CA--C 1.525 0.71 0 C-N-CA 125.061 1.315 . . . . 0.0 110.684 -179.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.1 tp -61.08 -36.65 73.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 C-N-CA 123.309 0.643 . . . . 0.0 110.863 -169.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -30.69 -66.46 0.1 Allowed 'General case' 0 C--N 1.344 0.347 0 C-N-CA 126.338 1.855 . . . . 0.0 112.504 177.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -90.52 -6.22 55.03 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 -179.251 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.18 -43.23 78.6 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 106.66 -1.608 . . . . 0.0 106.66 169.091 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 -75.85 67.52 2.26 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.632 0.773 . . . . 0.0 109.924 174.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 75.2 m -102.64 34.92 2.63 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.1 0.96 . . . . 0.0 109.494 169.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 85.64 -53.34 4.7 Favored Glycine 0 C--N 1.338 0.649 0 N-CA-C 110.135 -1.186 . . . . 0.0 110.135 178.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.4 tptp -151.56 163.65 38.58 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 128.358 2.663 . . . . 0.0 104.139 169.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.0 mp0 -62.73 109.03 1.29 Allowed 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.356 0.598 . . . . 0.0 109.594 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.53 160.92 17.49 Favored Glycine 0 CA--C 1.526 0.769 0 C-N-CA 127.526 2.489 . . . . 0.0 106.906 -177.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -79.08 40.83 0.42 Allowed 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 118.967 1.384 . . . . 0.0 113.372 -169.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.77 53.87 2.27 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 168.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -52.05 160.75 0.69 Allowed 'General case' 0 N--CA 1.44 -0.97 0 C-N-CA 125.808 1.643 . . . . 0.0 109.302 174.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 73.7 p 63.58 151.69 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 127.132 2.173 . . . . 0.0 109.105 -168.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.3 mp -109.62 58.95 0.6 Allowed 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 -166.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.3 p -65.34 71.9 0.05 OUTLIER 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 115.348 1.61 . . . . 0.0 115.348 -177.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.251 12.9 tptt 66.38 -55.12 0.4 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 128.863 2.865 . . . . 0.0 115.769 173.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.58 -10.78 58.03 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.828 1.195 . . . . 0.0 112.29 179.54 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.0 mp0 -90.64 -51.5 5.36 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 128.065 2.546 . . . . 0.0 107.375 167.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tp -50.68 -34.45 26.64 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 118.545 -0.74 . . . . 0.0 111.854 -178.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.2 pptp? -38.92 -40.99 0.7 Allowed 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.235 1.014 . . . . 0.0 113.297 171.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -64.26 -34.33 77.86 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.404 1.082 . . . . 0.0 111.372 -177.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 tt -91.01 -53.93 4.17 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 127.52 2.328 . . . . 0.0 111.231 -175.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.1 tt -61.49 -44.64 98.92 Favored 'Isoleucine or valine' 0 CA--C 1.524 -0.039 0 C-N-CA 124.842 1.257 . . . . 0.0 112.294 -169.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -65.71 -47.81 74.12 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -92.48 -94.21 0.15 Allowed 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.087 0.955 . . . . 0.0 113.268 -170.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.2 mp0 -58.03 -32.19 67.74 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 -165.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.6 mt -53.63 -32.72 52.45 Favored 'General case' 0 C--O 1.224 -0.265 0 C-N-CA 118.589 -1.244 . . . . 0.0 111.856 175.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.0 m 63.25 41.87 7.5 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 119.977 1.262 . . . . 0.0 109.835 -179.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 32.4 pt -51.98 -33.88 16.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 C-N-CA 123.47 0.708 . . . . 0.0 112.167 -175.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -44.3 -34.74 3.49 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 124.358 0.98 . . . . 0.0 113.275 173.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.3 m -56.98 -45.0 83.26 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 118.195 0.997 . . . . 0.0 110.959 177.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -83.13 58.29 4.37 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 121.673 0.749 . . . . 0.0 109.189 174.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 56.0 tp -46.64 106.12 0.08 Allowed 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 126.822 2.049 . . . . 0.0 110.956 -173.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.0 mm100 34.95 60.04 0.68 Allowed 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.451 1.501 . . . . 0.0 114.404 -169.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -52.01 153.56 2.59 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 107.427 -1.324 . . . . 0.0 107.427 164.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.54 122.6 9.22 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -172.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -52.11 -37.08 53.0 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 121.505 0.669 . . . . 0.0 110.488 -178.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 40.1 mm -62.13 -38.4 80.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 124.121 0.969 . . . . 0.0 110.724 176.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 72.4 t -70.05 -51.91 35.36 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.27 0 CA-C-O 118.203 -0.903 . . . . 0.0 108.914 174.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.3 mttp -48.71 -46.43 40.72 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 119.271 0.941 . . . . 0.0 110.692 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.4 tp -46.93 -35.19 6.21 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.823 0.849 . . . . 0.0 112.249 177.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.7 mmt -91.52 -43.46 9.66 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.447 1.099 . . . . 0.0 111.807 176.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.483 ' C ' ' H ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -71.05 -9.11 57.47 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 127.64 2.376 . . . . 0.0 113.446 -174.403 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -68.51 28.98 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.372 1.069 . . . . 0.0 108.578 160.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.483 ' H ' ' C ' ' A' ' 58' ' ' ASP . 48.5 tp -37.4 -30.04 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.577 1 C-N-CA 131.705 4.002 . . . . 0.0 114.651 -167.299 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -37.67 -34.93 0.12 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.98 0.912 . . . . 0.0 110.887 165.442 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -40.85 -35.25 0.48 Allowed 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 127.557 2.343 . . . . 0.0 112.926 176.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -62.82 -34.29 77.0 Favored 'General case' 0 C--N 1.339 0.151 0 C-N-CA 122.848 0.459 . . . . 0.0 111.298 -176.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.4 mmtm 67.53 -54.91 0.48 Allowed 'General case' 0 C--N 1.34 0.195 0 C-N-CA 126.74 2.016 . . . . 0.0 114.225 176.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.411 ' CG ' ' HZ1' ' B' ' 64' ' ' LYS . 0.9 OUTLIER 53.66 61.71 2.97 Favored 'General case' 0 CA--C 1.528 0.103 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 -169.31 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . 0.424 1.5 pp0? 66.23 -44.19 0.4 Allowed 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 129.243 3.017 . . . . 0.0 115.027 -169.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.64 134.35 4.5 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 106.518 -1.66 . . . . 0.0 106.518 177.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.37 98.23 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 CA-C-O 122.419 1.104 . . . . 0.0 108.241 -171.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -75.97 172.58 12.49 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 113.982 -1.463 . . . . 0.0 109.06 170.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -48.79 -39.16 24.2 Favored 'General case' 0 C--O 1.22 -0.476 0 C-N-CA 123.32 0.648 . . . . 0.0 109.997 173.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -42.61 -74.52 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.831 1.253 . . . . 0.0 111.307 169.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -59.02 -44.14 91.66 Favored 'General case' 0 N--CA 1.455 -0.18 0 O-C-N 121.563 -0.71 . . . . 0.0 110.761 -175.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -46.47 -53.88 10.31 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.238 1.415 . . . . 0.0 111.067 174.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 7.6 tp -76.86 -39.44 30.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 O-C-N 121.684 -0.635 . . . . 0.0 110.905 -174.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 57.1 m -51.79 -53.72 36.82 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 119.409 1.004 . . . . 0.0 109.827 171.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -52.9 -54.96 27.09 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 125.237 1.415 . . . . 0.0 111.302 175.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.3 mt -52.66 -40.43 62.83 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 117.839 0.29 . . . . 0.0 111.091 174.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -62.09 -53.97 38.5 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.431 -1.068 . . . . 0.0 110.431 178.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.13 -48.43 67.9 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 124.049 0.939 . . . . 0.0 110.121 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 42.0 mt -58.79 -60.0 4.53 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 175.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -48.43 -49.35 35.56 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 125.984 1.714 . . . . 0.0 111.426 -172.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 17.0 ttt -44.89 -39.9 5.81 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 126.501 1.921 . . . . 0.0 111.702 176.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 48.0 mm -91.44 -61.13 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 C-N-CA 123.913 0.885 . . . . 0.0 110.902 -177.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -90.2 -29.33 18.3 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 116.366 1.987 . . . . 0.0 116.366 -166.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.415 HD21 ' C ' ' A' ' 85' ' ' ASN . 0.1 OUTLIER -91.55 -53.44 4.31 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-N 118.743 0.701 . . . . 0.0 110.404 -168.744 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -140.11 134.75 31.72 Favored 'General case' 0 N--CA 1.436 -1.149 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 -166.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -80.47 49.52 1.17 Allowed 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 125.243 1.417 . . . . 0.0 107.467 174.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 33.5 mt 34.34 40.06 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 127.951 2.5 . . . . 0.0 114.194 -169.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.546 ' O ' ' OXT' ' A' ' 90' ' ' GLY . 35.3 mmtt 53.97 34.67 20.16 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.795 0.838 . . . . 0.0 110.78 -179.321 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.546 ' OXT' ' O ' ' A' ' 89' ' ' LYS . . . . . . . . 0 C--O 1.27 2.361 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -173.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.7 ttt . . . . . 0 N--CA 1.451 -0.409 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.9 58.63 0.85 Allowed 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 125.214 1.406 . . . . 0.0 110.508 179.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 33.4 t -61.13 144.92 90.58 Favored Pre-proline 0 CA--C 1.533 0.315 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 173.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_exo -44.81 -45.92 13.21 Favored 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 122.734 2.289 . . . . 0.0 113.028 174.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 pp -64.29 -33.6 76.2 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 178.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -67.41 -59.78 3.11 Favored 'General case' 0 C--O 1.225 -0.187 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 173.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 45.0 mm-40 -52.14 -32.62 36.48 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.835 0.854 . . . . 0.0 112.733 -178.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.15 -53.83 44.75 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.758 0.708 . . . . 0.0 111.357 171.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 58.3 mt -63.64 -40.92 90.82 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 174.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -42.89 -42.74 5.09 Favored Glycine 0 CA--C 1.523 0.572 0 C-N-CA 126.467 1.984 . . . . 0.0 113.079 171.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 61.4 tp -58.42 -55.3 36.84 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 119.151 1.476 . . . . 0.0 110.075 177.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 mp -58.86 -46.6 87.37 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 122.982 0.513 . . . . 0.0 109.635 -179.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 67.6 mt -59.2 -39.99 80.02 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 C-N-CA 122.537 0.335 . . . . 0.0 110.703 176.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.71 -66.33 2.89 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 109.226 -1.549 . . . . 0.0 109.226 174.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 25.4 mm -49.75 -44.57 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 125.358 1.463 . . . . 0.0 110.636 -178.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -36.58 -73.06 0.05 OUTLIER 'General case' 0 C--N 1.341 0.208 0 C-N-CA 124.85 1.26 . . . . 0.0 112.138 -177.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -90.37 20.71 4.29 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.65 -1.159 . . . . 0.0 112.441 -178.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -58.55 -46.9 85.89 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 168.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -78.35 59.41 2.33 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.16 0.984 . . . . 0.0 110.641 173.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 28.2 m -67.6 -15.44 63.65 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.64 -0.662 . . . . 0.0 112.264 172.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 144.38 -78.89 0.25 Allowed Glycine 0 C--N 1.337 0.622 0 N-CA-C 108.999 -1.641 . . . . 0.0 108.999 173.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . 0.504 0.0 OUTLIER 87.36 -23.7 0.12 Allowed 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 130.733 3.613 . . . . 0.0 113.943 -176.316 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 10.6 mp0 -77.4 -37.02 52.8 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 107.483 -1.302 . . . . 0.0 107.483 167.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -144.08 -175.19 16.99 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 106.138 -2.785 . . . . 0.0 106.138 168.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -115.02 128.18 56.1 Favored 'General case' 0 CA--C 1.527 0.072 0 CA-C-N 117.716 0.758 . . . . 0.0 110.156 176.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -142.67 171.76 13.62 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 105.724 -1.954 . . . . 0.0 105.724 168.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -133.33 35.63 3.44 Favored 'General case' 0 C--N 1.332 -0.168 0 O-C-N 121.59 -0.694 . . . . 0.0 109.62 171.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 72.7 p -136.39 141.71 43.67 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 103.453 -2.795 . . . . 0.0 103.453 167.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 28.0 mt -101.05 86.53 3.06 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.073 0.949 . . . . 0.0 110.719 -167.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.4 m -79.46 64.59 4.39 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.761 0.824 . . . . 0.0 111.951 -168.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 50.6 tttp 65.76 -53.12 0.38 Allowed 'General case' 0 C--O 1.223 -0.34 0 C-N-CA 127.158 2.183 . . . . 0.0 114.289 178.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -55.95 -62.02 1.98 Allowed 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 120.106 1.321 . . . . 0.0 109.985 -179.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -38.62 -51.45 1.64 Allowed 'General case' 0 C--O 1.226 -0.16 0 C-N-CA 125.191 1.397 . . . . 0.0 110.455 169.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 5.8 tp -62.34 -44.46 96.43 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 125.252 1.421 . . . . 0.0 111.343 -173.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 39.3 tptt -65.66 -41.48 92.48 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 178.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.91 -38.45 91.13 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 120.764 0.316 . . . . 0.0 110.827 176.459 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.2 tt -61.34 -70.11 0.2 Allowed 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 126.277 1.831 . . . . 0.0 111.1 178.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 11.3 tt -58.48 6.45 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.558 1.261 0 C-N-CA 127.567 2.347 . . . . 0.0 114.746 -168.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -93.73 -66.47 0.92 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.284 1.834 . . . . 0.0 112.312 172.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.48 32.94 1.02 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.687 1.995 . . . . 0.0 109.874 176.242 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . 0.467 ' CG ' ' H ' ' B' ' 42' ' ' LEU 0.302 0.0 OUTLIER -73.72 -115.09 0.01 OUTLIER 'General case' 0 N--CA 1.437 -1.116 0 N-CA-C 121.661 3.948 . . . . 0.0 121.661 -160.766 . . . . . . . . 4 4 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . 0.467 ' H ' ' CG ' ' B' ' 41' ' ' GLU . 11.3 mt -103.03 -61.44 1.41 Allowed 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 129.589 3.155 . . . . 0.0 111.71 -167.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 152.7 4.22 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.825 1 C-N-CA 132.196 4.198 . . . . 0.0 111.67 -171.47 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 65.8 mt -50.27 -36.26 12.91 Favored 'Isoleucine or valine' 0 C--N 1.342 0.262 0 CA-C-N 120.356 1.435 . . . . 0.0 110.968 178.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -34.16 -38.11 0.1 OUTLIER Glycine 0 CA--C 1.538 1.51 0 C-N-CA 125.272 1.415 . . . . 0.0 114.588 169.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 15.4 m -49.12 -25.9 2.41 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.968 1.307 . . . . 0.0 113.64 176.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -41.45 -46.17 3.36 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 127.712 2.405 . . . . 0.0 111.314 168.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 83.0 mt 55.93 -175.48 0.05 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.839 1.255 . . . . 0.0 111.122 -169.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 45.83 43.39 9.93 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.138 0.975 . . . . 0.0 111.055 -175.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -128.4 156.84 42.51 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 125.684 1.594 . . . . 0.0 108.774 -169.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -146.04 166.52 25.84 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 106.524 -1.658 . . . . 0.0 106.524 169.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -58.63 -29.07 66.23 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 118.931 -0.557 . . . . 0.0 111.632 175.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 37.9 mm -59.86 -36.7 68.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 C-N-CA 123.863 0.865 . . . . 0.0 110.605 170.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 10.6 t -77.63 -49.59 21.83 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 177.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 44.1 mttp -55.12 -37.88 67.45 Favored 'General case' 0 CA--C 1.53 0.183 0 O-C-N 121.993 -0.442 . . . . 0.0 111.185 179.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -47.68 -37.14 12.32 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.033 0.933 . . . . 0.0 110.769 174.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 76.7 mtm -81.46 -48.43 11.88 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 117.997 0.362 . . . . 0.0 110.541 174.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -46.59 -55.98 6.79 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 118.376 0.535 . . . . 0.0 111.734 -179.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . 0.254 3.4 p30 -45.42 -77.09 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.951 0.901 . . . . 0.0 112.457 -168.139 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -93.09 -58.12 2.42 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 124.925 1.29 . . . . 0.0 110.264 -174.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.02 -30.92 2.91 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 126.457 1.903 . . . . 0.0 113.871 -164.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . 0.287 0.0 OUTLIER -75.05 16.71 0.28 Allowed 'General case' 0 CA--C 1.558 1.269 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 173.441 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -53.58 -58.91 5.47 Favored 'General case' 0 C--O 1.225 -0.203 0 C-N-CA 128.425 2.69 . . . . 0.0 114.718 -171.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . 0.411 ' HZ1' ' CG ' ' A' ' 65' ' ' ASP 0.28 12.2 pttt 70.41 -56.89 0.59 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.248 1.419 . . . . 0.0 113.834 -171.65 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . 0.301 2.7 p30 -90.54 -97.02 0.11 Allowed 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 -171.466 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.54 -157.68 0.84 Allowed 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 120.241 1.382 . . . . 0.0 110.654 -169.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.6 144.16 27.51 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 118.995 0.816 . . . . 0.0 110.617 -173.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 15.7 t -75.94 75.74 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-O 123.126 1.441 . . . . 0.0 111.078 -167.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -83.9 -177.35 6.65 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 126.744 2.018 . . . . 0.0 109.244 169.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -52.98 -43.94 66.81 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.093 0.557 . . . . 0.0 112.447 -172.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.6 -31.72 73.06 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 118.751 0.705 . . . . 0.0 111.315 -177.56 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.88 -46.33 21.66 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 -176.471 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -49.35 -53.1 24.01 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 168.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 11.6 mm -54.54 -44.88 70.35 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-O 118.624 -0.703 . . . . 0.0 111.111 176.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 62.0 m -45.72 -51.36 12.63 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 119.215 0.916 . . . . 0.0 112.444 -178.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . 0.256 6.2 p90 -64.8 -39.68 93.99 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 117.332 -1.747 . . . . 0.0 112.425 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 6.3 mp -55.12 -56.31 21.33 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 118.991 0.814 . . . . 0.0 109.641 172.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -49.16 -56.21 10.84 Favored Glycine 0 CA--C 1.526 0.751 0 C-N-CA 124.132 0.872 . . . . 0.0 112.059 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.34 -53.66 53.79 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 122.907 0.483 . . . . 0.0 111.394 -178.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 79.4 mt -76.09 -35.35 59.39 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.923 -0.485 . . . . 0.0 111.581 -169.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.91 -42.63 68.95 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 118.681 0.673 . . . . 0.0 111.442 -178.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 64.9 mtp -51.94 -29.92 22.41 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.56 1.144 . . . . 0.0 111.876 175.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 43.8 mt -91.0 -57.04 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 C-N-CA 123.585 0.754 . . . . 0.0 109.516 178.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -81.38 -39.85 24.39 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 115.024 1.49 . . . . 0.0 115.024 -167.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -86.38 -39.1 16.75 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -167.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 179.84 152.99 0.47 Allowed 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 104.535 -2.394 . . . . 0.0 104.535 -170.164 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -81.74 49.6 1.37 Allowed 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 105.807 -1.923 . . . . 0.0 105.807 167.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 23.3 mt 30.82 52.91 0.15 Allowed 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 128.838 2.855 . . . . 0.0 113.995 -168.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -98.45 -75.59 0.55 Allowed 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 169.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.405 0 N-CA-C 109.409 -1.476 . . . . 0.0 109.409 178.969 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.4 mtm . . . . . 0 CA--C 1.531 0.225 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.25 166.49 20.94 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 105.331 -2.1 . . . . 0.0 105.331 179.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.1 m -70.84 158.87 87.08 Favored Pre-proline 0 CA--C 1.539 0.524 0 CA-C-N 118.58 0.627 . . . . 0.0 110.121 -178.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -51.24 -48.07 22.91 Favored 'Trans proline' 0 N--CA 1.456 -0.694 0 C-N-CA 122.991 2.46 . . . . 0.0 112.618 -178.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 48.7 mt -65.36 -43.51 90.56 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 118.991 -0.528 . . . . 0.0 110.987 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -50.09 -56.29 11.47 Favored 'General case' 0 C--N 1.343 0.291 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 173.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -56.16 -50.34 71.45 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.525 -177.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.66 -55.92 28.67 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 122.709 0.404 . . . . 0.0 111.456 -179.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.08 -42.7 94.17 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 118.399 0.545 . . . . 0.0 109.798 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.02 -51.28 30.51 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 172.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.3 mp -56.08 -56.87 15.56 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-O 118.962 -0.542 . . . . 0.0 109.561 175.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.4 mt -52.7 -47.25 67.39 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 119.366 0.984 . . . . 0.0 112.161 -176.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.9 mt -60.95 -51.22 75.72 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 123.732 0.813 . . . . 0.0 109.996 176.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.31 -41.31 96.81 Favored Glycine 0 CA--C 1.53 1.029 0 C-N-CA 123.288 0.47 . . . . 0.0 112.088 -178.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.5 mm -78.87 -42.81 24.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 C-N-CA 126.843 2.057 . . . . 0.0 110.615 -171.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -29.15 -69.12 0.06 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.223 1.809 . . . . 0.0 113.664 -173.675 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -90.67 -2.09 57.85 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 125.574 1.549 . . . . 0.0 112.655 -174.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.09 -36.09 74.53 Favored 'General case' 0 N--CA 1.456 -0.142 0 O-C-N 121.516 -0.74 . . . . 0.0 111.267 -172.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -66.44 -15.96 63.74 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.0 m -74.78 -16.46 60.72 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.747 0.703 . . . . 0.0 111.53 169.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.56 -64.73 2.52 Favored Glycine 0 C--N 1.338 0.644 0 C-N-CA 126.429 1.966 . . . . 0.0 109.434 -175.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.3 tttm -83.2 51.16 1.9 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.668 1.587 . . . . 0.0 109.465 -173.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -58.06 -35.61 71.61 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 -168.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.506 ' HA2' ' OXT' ' B' ' 90' ' ' GLY . . . -30.32 -72.22 0.06 OUTLIER Glycine 0 CA--C 1.53 1.028 0 C-N-CA 126.175 1.845 . . . . 0.0 111.731 176.14 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -80.99 -43.6 19.39 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.186 0.994 . . . . 0.0 111.508 171.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm -80.44 59.13 3.38 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 121.706 0.765 . . . . 0.0 110.783 -177.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.0 p80 -79.93 57.48 2.62 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.605 1.162 . . . . 0.0 108.817 174.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -177.84 147.17 0.46 Allowed 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 128.285 2.634 . . . . 0.0 104.037 -169.252 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.65 142.67 34.93 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 119.415 1.007 . . . . 0.0 110.375 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.2 t -92.9 -168.57 1.97 Allowed 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 122.745 1.259 . . . . 0.0 111.131 -177.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -51.32 68.18 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 127.128 2.171 . . . . 0.0 112.96 -171.295 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -64.78 -41.47 95.83 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.93 -0.481 . . . . 0.0 110.208 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -56.21 -51.9 66.38 Favored 'General case' 0 C--O 1.223 -0.337 0 C-N-CA 122.85 0.46 . . . . 0.0 109.918 170.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.6 tt -57.05 -45.49 83.15 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 118.75 0.705 . . . . 0.0 110.254 -177.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -35.61 60.36 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.65 0.78 . . . . 0.0 111.286 172.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -76.27 -36.17 58.55 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.089 0.556 . . . . 0.0 111.277 176.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.7 tt -59.61 -75.81 0.05 Allowed 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 125.957 1.703 . . . . 0.0 109.094 -179.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.1 pt -52.34 -2.73 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 C-N-CA 127.523 2.329 . . . . 0.0 117.225 -167.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -94.43 -57.79 2.39 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.888 1.675 . . . . 0.0 110.159 168.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.9 mptt -81.44 32.4 0.35 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 127.503 2.321 . . . . 0.0 108.167 169.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.52 ' CG ' ' H ' ' A' ' 42' ' ' LEU . 0.4 OUTLIER -45.11 -114.21 0.0 OUTLIER 'General case' 0 N--CA 1.435 -1.18 0 N-CA-C 120.885 3.661 . . . . 0.0 120.885 -159.505 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.52 ' H ' ' CG ' ' A' ' 41' ' ' GLU . 29.5 mt -106.0 -67.74 0.91 Allowed 'General case' 0 N--CA 1.437 -1.095 0 C-N-CA 127.307 2.243 . . . . 0.0 112.555 -165.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.9 m -167.91 -24.38 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.551 1.94 . . . . 0.0 112.098 -169.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 34.4 mt -74.61 -89.08 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 -170.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.63 -68.46 0.41 Allowed Glycine 0 CA--C 1.528 0.865 0 N-CA-C 108.814 -1.715 . . . . 0.0 108.814 -169.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.5 t -155.5 140.74 17.57 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 104.755 -2.313 . . . . 0.0 104.755 167.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -149.99 -2.46 0.4 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.891 0.876 . . . . 0.0 111.829 -176.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 59.1 mt 77.46 -43.02 0.4 Allowed 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 128.739 2.816 . . . . 0.0 110.905 174.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -65.04 -21.09 66.78 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 122.822 0.449 . . . . 0.0 111.286 168.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -94.21 -158.88 0.66 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.793 1.637 . . . . 0.0 110.315 -176.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -165.95 162.65 18.26 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 125.212 1.405 . . . . 0.0 107.835 169.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -50.73 -41.47 56.35 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.1 0.96 . . . . 0.0 108.549 169.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.3 mm -50.11 -48.62 23.54 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 C-N-CA 124.429 1.092 . . . . 0.0 110.587 172.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.7 t -64.4 -47.28 90.14 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 O-C-N 121.567 -0.708 . . . . 0.0 109.114 179.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.87 -17.8 64.61 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.106 0.562 . . . . 0.0 112.142 -178.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 63.9 tp -86.38 -44.32 12.14 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.141 0.976 . . . . 0.0 110.119 170.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 51.1 mtt -65.2 -41.25 94.71 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -174.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -43.12 -53.24 5.06 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.696 0.799 . . . . 0.0 112.2 -176.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -39.3 -47.98 1.78 Allowed 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 126.946 2.098 . . . . 0.0 113.443 175.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 74.5 mt -53.46 -30.51 41.2 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 126.172 1.789 . . . . 0.0 115.201 -165.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -63.15 -11.58 21.49 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 118.384 0.538 . . . . 0.0 111.697 176.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.6 21.87 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 117.115 2.265 . . . . 0.0 117.115 175.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -51.52 -37.26 48.49 Favored 'General case' 0 CA--C 1.522 -0.126 0 CA-C-N 120.26 1.391 . . . . 0.0 111.312 172.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.65 57.93 0.77 Allowed 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 123.798 0.839 . . . . 0.0 109.092 169.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -56.25 -32.49 64.55 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 123.899 0.88 . . . . 0.0 109.583 171.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.6 tp60 -68.77 70.09 0.18 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.979 1.312 . . . . 0.0 111.483 -178.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 65.2 91.4 0.08 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 126.361 1.865 . . . . 0.0 112.574 167.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 77.6 t -73.46 132.57 33.21 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 C-N-CA 125.035 1.334 . . . . 0.0 110.409 -173.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -101.16 175.08 5.71 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.3 1.44 . . . . 0.0 109.495 169.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -59.07 -45.32 91.12 Favored 'General case' 0 C--O 1.221 -0.413 0 C-N-CA 122.751 0.421 . . . . 0.0 112.119 -173.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -65.47 -50.18 66.29 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -177.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.64 -47.11 67.28 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.142 177.165 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -54.62 -55.61 27.65 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.361 1.064 . . . . 0.0 111.522 171.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 7.2 mm -54.73 -42.56 62.24 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.348 0 C-N-CA 124.62 1.168 . . . . 0.0 110.681 -176.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.5 m -33.24 -57.2 0.41 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.898 1.679 . . . . 0.0 113.196 -172.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -63.9 -43.0 97.31 Favored 'General case' 0 C--N 1.341 0.203 0 O-C-N 121.699 -0.626 . . . . 0.0 112.052 -178.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.0 mp -57.13 -40.99 78.24 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 122.561 0.345 . . . . 0.0 110.224 172.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.32 -46.83 63.29 Favored Glycine 0 CA--C 1.526 0.751 0 C-N-CA 124.429 1.014 . . . . 0.0 111.314 175.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.06 -60.99 2.69 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 117.357 0.579 . . . . 0.0 110.269 172.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 76.6 mt -51.15 -35.1 34.1 Favored 'General case' 0 CA--C 1.528 0.101 0 C-N-CA 123.921 0.888 . . . . 0.0 112.112 -173.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -41.36 -45.15 2.98 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 126.359 1.864 . . . . 0.0 111.947 177.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 66.9 mtp -55.9 -31.99 63.34 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.291 1.437 . . . . 0.0 111.522 -178.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 32.2 mm -93.73 -64.35 1.29 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 125.623 1.569 . . . . 0.0 111.733 175.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . 0.254 0.1 OUTLIER -81.44 -37.4 28.1 Favored 'General case' 0 C--N 1.343 0.295 0 N-CA-C 115.034 1.494 . . . . 0.0 115.034 -166.738 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -82.72 -52.33 6.87 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 121.744 0.783 . . . . 0.0 110.053 -170.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -139.84 160.39 40.01 Favored 'General case' 0 N--CA 1.439 -1.024 0 CA-C-N 113.836 -1.529 . . . . 0.0 107.752 -168.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -99.91 37.32 1.65 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 105.955 -1.868 . . . . 0.0 105.955 167.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 48.3 mt 39.75 30.49 0.06 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 127.981 2.512 . . . . 0.0 112.053 -167.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 27.9 53.02 0.06 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.833 1.653 . . . . 0.0 110.985 -165.091 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.379 0 N-CA-C 108.889 -1.685 . . . . 0.0 108.889 -169.459 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.5 ttt . . . . . 0 CA--C 1.534 0.343 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 68.86 65.23 0.3 Allowed 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 125.474 1.509 . . . . 0.0 111.461 172.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 48.3 t -152.45 159.02 33.22 Favored Pre-proline 0 CA--C 1.535 0.381 0 N-CA-C 106.16 -1.793 . . . . 0.0 106.16 175.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -49.58 -50.33 13.37 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 122.704 2.27 . . . . 0.0 114.993 -170.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 11.2 mp -64.68 -56.9 10.83 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 -178.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -43.3 -52.9 5.55 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 124.281 1.032 . . . . 0.0 112.36 173.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -57.33 -52.51 65.06 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.699 0.8 . . . . 0.0 110.438 177.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.07 -49.14 76.78 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 118.356 0.525 . . . . 0.0 111.365 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 53.3 mt -59.57 -49.11 84.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 178.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -51.87 -46.9 54.68 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 124.263 0.935 . . . . 0.0 111.345 175.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 52.3 mt -63.29 -48.34 78.52 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 123.342 0.657 . . . . 0.0 110.277 177.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 75.0 mt -54.83 -48.66 72.56 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 119.43 1.014 . . . . 0.0 110.615 177.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 mm -60.87 -45.28 98.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 123.126 0.57 . . . . 0.0 110.345 177.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.04 -57.18 18.37 Favored Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -178.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -64.65 -34.11 67.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 C-N-CA 125.223 1.409 . . . . 0.0 110.073 -173.23 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -33.0 -61.89 0.27 Allowed 'General case' 0 C--N 1.342 0.271 0 C-N-CA 124.955 1.302 . . . . 0.0 113.587 178.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -91.99 -4.72 54.17 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.992 0.917 . . . . 0.0 113.364 -178.478 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 4.7 mmtm -64.78 -32.84 74.71 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 165.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 17.3 m-30 -73.67 102.33 3.9 Favored 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 105.327 -2.101 . . . . 0.0 105.327 165.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 66.1 m 121.76 -4.18 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 131.613 3.965 . . . . 0.0 110.857 -168.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.86 -60.24 3.79 Favored Glycine 0 CA--C 1.525 0.657 0 C-N-CA 126.009 1.766 . . . . 0.0 111.132 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -126.32 122.99 37.03 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.712 1.605 . . . . 0.0 112.63 -167.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 21.5 mp0 -50.0 178.13 0.01 OUTLIER 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 129.653 3.181 . . . . 0.0 113.661 172.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.72 -99.16 2.45 Favored Glycine 0 CA--C 1.526 0.753 0 C-N-CA 126.608 2.052 . . . . 0.0 111.163 171.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -53.18 -64.48 0.81 Allowed 'General case' 0 CA--C 1.519 -0.213 0 C-N-CA 125.364 1.465 . . . . 0.0 110.483 173.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 4.6 mmmp? -72.96 64.07 0.68 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.619 0.723 . . . . 0.0 111.372 171.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 10.4 p-80 -78.62 45.49 0.59 Allowed 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 167.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 2.4 p -156.5 164.55 38.09 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 126.358 1.863 . . . . 0.0 107.715 -167.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 26.0 mt -70.67 175.78 4.66 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 166.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 67.6 m -127.18 130.93 50.66 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 103.525 -2.768 . . . . 0.0 103.525 164.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 3.5 pttm -40.25 -48.34 2.59 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 -168.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.66 -46.5 70.62 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 121.691 -0.63 . . . . 0.0 111.187 176.601 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -61.25 -28.22 69.01 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.84 0.856 . . . . 0.0 110.662 -177.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.1 -31.6 65.43 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.49 -0.756 . . . . 0.0 109.716 173.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -58.73 -26.88 64.37 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.394 -0.816 . . . . 0.0 112.215 173.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.99 -51.87 8.05 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 119.355 0.979 . . . . 0.0 108.368 173.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 tt -41.91 -54.15 3.55 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.687 1.595 . . . . 0.0 111.054 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 20.1 tt -59.87 -33.4 52.45 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 C-N-CA 123.347 0.659 . . . . 0.0 112.572 -177.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -78.49 -52.95 7.77 Favored 'General case' 0 C--N 1.338 0.104 0 CA-C-N 118.536 0.607 . . . . 0.0 110.023 178.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . 0.414 ' NZ ' ' OE2' ' B' ' 41' ' ' GLU . 7.4 mtmp? -89.55 -80.08 0.31 Allowed 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.252 0.621 . . . . 0.0 111.063 -172.009 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . 0.414 ' OE2' ' NZ ' ' B' ' 40' ' ' LYS . 18.4 mp0 -53.49 -36.76 62.04 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.92 0.888 . . . . 0.0 113.281 -168.217 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 24.5 mt -66.95 0.61 2.39 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 176.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 3.8 m 22.47 73.98 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 127.374 2.269 . . . . 0.0 115.026 167.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . 0.311 62.3 mt 89.94 -38.79 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 125.424 1.49 . . . . 0.0 112.817 177.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.91 115.43 7.83 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 -175.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 24.1 m 136.88 -44.88 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 131.114 3.766 . . . . 0.0 107.457 -170.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 28.9 mtmm 32.97 65.72 0.23 Allowed 'General case' 0 C--N 1.344 0.348 0 C-N-CA 126.011 1.725 . . . . 0.0 112.48 -177.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 2.7 mm? 67.61 -61.96 0.35 Allowed 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 126.636 1.974 . . . . 0.0 111.817 -178.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -163.24 45.65 0.13 Allowed 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.396 0.678 . . . . 0.0 111.629 -177.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -79.31 168.61 19.29 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 174.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.44 -30.03 4.68 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 126.011 1.725 . . . . 0.0 111.577 173.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -39.89 -46.84 2.08 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.862 1.265 . . . . 0.0 111.639 169.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 5.9 mt -65.74 -42.25 92.08 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 CA-C-N 118.738 0.699 . . . . 0.0 110.358 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 41.0 t -60.33 -40.99 85.57 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 O-C-N 120.975 -1.078 . . . . 0.0 109.934 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 10.9 tptp -89.78 11.67 19.42 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 174.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 48.9 tp -91.31 -40.04 11.71 Favored 'General case' 0 C--O 1.226 -0.15 0 N-CA-C 106.256 -1.757 . . . . 0.0 106.256 166.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 51.0 ttm -50.17 -31.96 14.98 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 122.95 0.5 . . . . 0.0 111.134 172.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -36.34 -38.77 0.16 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.654 1.982 . . . . 0.0 113.057 168.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -29.48 -49.15 0.09 Allowed 'General case' 0 C--N 1.344 0.363 0 C-N-CA 126.412 1.885 . . . . 0.0 112.706 169.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 93.7 mt -53.15 -13.4 0.49 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.876 2.071 . . . . 0.0 114.085 -174.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -53.08 -18.63 2.22 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.181 0.993 . . . . 0.0 110.721 165.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.94 20.73 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 128.985 2.914 . . . . 0.0 116.871 173.537 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -61.51 -46.76 88.64 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 119.294 -2.129 . . . . 0.0 111.331 175.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.13 169.71 17.82 Favored 'General case' 0 N--CA 1.438 -1.055 0 CA-C-O 122.358 1.075 . . . . 0.0 109.867 178.153 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 25.8 t0 49.67 34.94 7.89 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 127.85 2.46 . . . . 0.0 113.094 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 71.1 mm-40 73.77 -49.12 0.68 Allowed 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 126.161 1.784 . . . . 0.0 115.286 168.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -147.65 -175.38 4.84 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.73 1.212 . . . . 0.0 109.054 174.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 22.8 t -59.68 121.85 8.42 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 C-N-CA 123.733 0.813 . . . . 0.0 110.245 -169.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -104.96 171.58 7.24 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.815 1.246 . . . . 0.0 110.076 -176.598 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -60.67 -36.32 78.43 Favored 'General case' 0 C--N 1.341 0.222 0 O-C-N 121.635 -0.666 . . . . 0.0 111.009 -171.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -52.45 -64.76 0.71 Allowed 'General case' 0 C--O 1.224 -0.254 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 172.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 31.1 mp0 -51.02 -56.88 10.31 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.784 1.234 . . . . 0.0 110.654 -177.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -43.84 -56.69 3.71 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.951 1.3 . . . . 0.0 110.847 175.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 24.7 mm -63.52 -35.84 74.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 CA-C-O 119.226 -0.416 . . . . 0.0 111.215 177.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 23.8 m -59.15 -50.32 74.48 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 108.698 -0.852 . . . . 0.0 108.698 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . 0.253 7.7 p90 -66.51 -51.31 57.98 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 117.842 -1.543 . . . . 0.0 111.916 176.025 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 39.7 mt -48.62 -42.77 35.14 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 118.373 0.533 . . . . 0.0 111.586 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -49.23 -41.24 30.78 Favored Glycine 0 CA--C 1.53 0.991 0 C-N-CA 125.35 1.452 . . . . 0.0 113.203 175.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.49 -50.54 51.52 Favored 'General case' 0 C--N 1.34 0.16 0 CA-C-N 117.991 0.895 . . . . 0.0 109.109 -177.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 4.1 mp -55.61 -40.51 72.18 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 176.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.53 8.31 0.5 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.745 1.618 . . . . 0.0 114.916 176.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 64.5 mtp -90.91 -37.36 13.59 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 164.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 25.4 mm -93.07 -65.3 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 C-N-CA 124.537 1.135 . . . . 0.0 113.831 -167.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . 0.251 0.0 OUTLIER -69.71 -12.62 61.78 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 116.561 2.06 . . . . 0.0 116.561 -165.38 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -91.66 -100.14 0.11 Allowed 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.117 1.367 . . . . 0.0 113.136 -173.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.11 20.52 6.36 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 126.006 1.722 . . . . 0.0 112.117 -168.437 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . 47.25 29.16 1.15 Allowed 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.129 0.972 . . . . 0.0 110.907 -170.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 40.1 mt 50.14 36.88 13.21 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 126.29 1.836 . . . . 0.0 111.574 -174.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 3.7 ptmm? 46.27 41.77 9.37 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.963 1.305 . . . . 0.0 113.0 -170.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . 0.506 ' OXT' ' HA2' ' A' ' 24' ' ' GLY . . . . . . . . 0 C--O 1.27 2.395 0 C-N-CA 123.626 0.632 . . . . 0.0 111.885 178.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.4 mtm . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.609 -0.145 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.51 33.29 0.96 Allowed 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.842 0.857 . . . . 0.0 110.828 179.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.45 166.91 21.48 Favored Pre-proline 0 CA--C 1.539 0.525 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 172.023 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -50.66 -48.89 18.55 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 122.597 2.198 . . . . 0.0 112.61 178.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 57.1 mt -52.37 -64.63 0.75 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.223 1.009 . . . . 0.0 109.126 176.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -45.3 -54.86 6.55 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 127.431 2.292 . . . . 0.0 109.912 -179.353 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -59.21 -49.89 76.11 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.748 1.219 . . . . 0.0 110.191 -177.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.26 -53.71 44.74 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 117.786 0.266 . . . . 0.0 110.836 -177.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 83.1 mt -51.56 -56.67 4.85 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 178.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.37 -55.14 17.41 Favored Glycine 0 CA--C 1.524 0.616 0 C-N-CA 124.229 0.919 . . . . 0.0 111.491 179.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 69.4 tp -60.51 -60.05 4.42 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 117.585 0.692 . . . . 0.0 109.549 -175.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.5 mt -64.16 -46.77 82.57 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.902 -170.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.3 mt -65.78 -42.78 93.07 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.13 0 CA-C-N 118.389 0.54 . . . . 0.0 109.906 177.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.68 -56.72 10.8 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 176.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.6 mm -64.93 -46.61 91.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-O 118.661 -0.685 . . . . 0.0 111.069 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -28.88 -77.56 0.02 OUTLIER 'General case' 0 C--N 1.344 0.327 0 C-N-CA 126.506 1.923 . . . . 0.0 112.94 -168.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.402 ' CD2' ' HA ' ' A' ' 25' ' ' ASP . 0.1 OUTLIER -92.79 14.33 17.62 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 125.572 1.549 . . . . 0.0 113.017 -172.566 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.89 -31.23 27.41 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 118.881 0.764 . . . . 0.0 110.871 177.249 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -73.87 2.74 7.83 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -178.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.7 m -75.19 43.54 0.22 Allowed 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 119.452 1.023 . . . . 0.0 111.337 169.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 71.05 -68.43 0.84 Allowed Glycine 0 CA--C 1.525 0.671 0 C-N-CA 127.026 2.251 . . . . 0.0 109.554 -170.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.3 tttm -110.0 -176.88 3.11 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 105.969 -1.863 . . . . 0.0 105.969 172.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -77.28 66.94 3.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 124.308 2.004 . . . . 0.0 111.559 174.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.15 122.69 7.55 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 106.664 -2.574 . . . . 0.0 106.664 171.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.402 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 33.9 t70 -77.53 65.84 3.14 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 118.042 0.921 . . . . 0.0 111.524 -172.165 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -87.82 133.31 33.91 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 173.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -91.63 9.33 32.73 Favored 'General case' 0 CA--C 1.53 0.201 0 O-C-N 122.375 -0.203 . . . . 0.0 111.318 -173.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.5 p -145.97 152.64 39.72 Favored 'General case' 0 C--O 1.24 0.567 0 C-N-CA 126.351 1.86 . . . . 0.0 106.551 169.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.6 mp -93.42 111.91 23.69 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 169.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 17.2 m -84.5 63.8 8.07 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 123.687 0.795 . . . . 0.0 110.492 -170.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.0 mptt 66.75 -65.48 0.21 Allowed 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 127.629 2.372 . . . . 0.0 112.014 174.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? -51.63 -51.72 53.46 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.687 0.795 . . . . 0.0 110.147 -177.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -50.56 -46.5 57.69 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 123.193 0.597 . . . . 0.0 111.161 176.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 26.3 tp -71.08 -40.15 71.76 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 120.017 -0.673 . . . . 0.0 110.098 -178.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? -50.75 -45.86 59.05 Favored 'General case' 0 C--N 1.341 0.208 0 CA-C-N 118.651 0.659 . . . . 0.0 109.584 171.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -66.33 -41.82 89.06 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 121.467 0.651 . . . . 0.0 110.71 -178.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.8 tt -55.62 -66.04 0.49 Allowed 'General case' 0 N--CA 1.441 -0.906 0 CA-C-O 116.945 -1.502 . . . . 0.0 110.551 176.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 22.7 pt -60.22 13.22 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.556 1.18 0 C-N-CA 126.609 1.964 . . . . 0.0 115.497 -168.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -91.94 -71.53 0.64 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.919 1.688 . . . . 0.0 110.074 170.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.9 ptmm? -92.4 30.83 1.41 Allowed 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 128.378 2.671 . . . . 0.0 109.03 -177.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.558 ' CG ' ' H ' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -75.39 -111.97 0.01 OUTLIER 'General case' 0 N--CA 1.432 -1.33 1 N-CA-C 123.744 4.72 . . . . 0.0 123.744 -156.586 . . . . . . . . 4 4 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.558 ' H ' ' CG ' ' A' ' 41' ' ' GLU . 28.2 mt -99.67 -60.44 1.53 Allowed 'General case' 0 N--CA 1.438 -1.038 0 C-N-CA 128.805 2.842 . . . . 0.0 113.347 -164.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 35.6 p -56.36 -89.09 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.439 0 O-C-N 124.721 1.263 . . . . 0.0 113.793 -166.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -121.36 -46.34 2.5 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.813 -167.268 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 150.31 -142.77 9.95 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 106.66 -2.576 . . . . 0.0 106.66 -172.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 m -74.1 53.48 0.49 Allowed 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.602 1.161 . . . . 0.0 112.259 179.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.85 41.14 3.6 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 127.248 2.219 . . . . 0.0 113.762 -178.301 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 41.7 mt -45.47 -48.54 13.91 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.203 1.001 . . . . 0.0 112.469 -168.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.24 -72.98 0.66 Allowed 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 169.234 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -92.92 -145.36 0.22 Allowed 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.493 1.117 . . . . 0.0 108.988 -177.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 114.79 -56.26 0.0 OUTLIER 'General case' 0 C--O 1.224 -0.283 1 C-N-CA 132.138 4.175 . . . . 0.0 105.318 -169.336 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.5 pm0 -50.92 -45.62 60.48 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 125.893 1.677 . . . . 0.0 113.548 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 26.8 mm -82.18 -47.08 19.4 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.104 0 CA-C-N 119.529 1.059 . . . . 0.0 108.169 -176.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 56.5 t -54.22 -34.57 27.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 O-C-N 121.985 -0.447 . . . . 0.0 111.073 176.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 36.8 mmtt -57.58 -29.6 64.58 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.532 0.733 . . . . 0.0 112.945 175.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.5 tt -54.23 -30.56 50.61 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-O 118.879 -0.581 . . . . 0.0 110.365 172.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -90.32 -62.46 1.46 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.542 0.737 . . . . 0.0 110.226 169.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -48.96 -46.84 44.02 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.038 0.935 . . . . 0.0 112.807 -168.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.32 17.83 2.43 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -173.475 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 80.3 mt -90.58 -65.67 0.99 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 119.399 1.0 . . . . 0.0 110.909 173.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.15 -30.75 0.1 Allowed 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 128.254 2.622 . . . . 0.0 111.252 174.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -53.19 26.11 0.0 OUTLIER 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 129.977 3.311 . . . . 0.0 115.332 167.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.42 ' ND2' ' H ' ' A' ' 65' ' ' ASP . 9.7 t30 -32.77 -64.04 0.2 Allowed 'General case' 0 C--O 1.236 0.369 0 C-N-CA 126.998 2.119 . . . . 0.0 110.774 168.062 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.33 30.59 0.32 Allowed 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.981 1.312 . . . . 0.0 111.253 -177.28 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.42 ' H ' ' ND2' ' A' ' 63' ' ' ASN . 0.7 OUTLIER -23.43 -65.94 0.04 OUTLIER 'General case' 0 C--N 1.344 0.342 0 C-N-CA 128.601 2.761 . . . . 0.0 109.616 -167.279 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -99.88 -44.34 6.09 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 110.918 -2.855 . . . . 0.0 111.782 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -159.94 165.36 32.24 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.686 1.195 . . . . 0.0 109.321 170.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.6 t -79.69 119.12 28.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 C-N-CA 124.546 1.138 . . . . 0.0 109.219 -173.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -103.6 152.1 22.15 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.511 1.124 . . . . 0.0 111.131 176.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -44.83 -50.88 10.02 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 125.943 1.697 . . . . 0.0 111.178 171.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -54.86 -38.1 67.06 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 122.675 0.39 . . . . 0.0 111.374 -176.049 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -69.13 -62.33 1.42 Allowed 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 177.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -38.33 -52.82 1.52 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 126.541 1.937 . . . . 0.0 112.219 178.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 11.4 tp -66.44 -30.78 50.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 O-C-N 121.76 -0.587 . . . . 0.0 111.837 -174.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 31.2 m -59.65 -53.43 58.13 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 121.628 0.727 . . . . 0.0 110.547 -172.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -73.27 -41.91 63.09 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.233 -172.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.4 mt -46.1 -54.15 9.06 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 168.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.82 -57.96 10.08 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 124.539 1.066 . . . . 0.0 112.266 177.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.62 -58.17 7.1 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 117.015 0.408 . . . . 0.0 110.955 178.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 41.9 mt -63.41 -32.56 74.03 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -173.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -49.34 -41.05 37.58 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.66 0.664 . . . . 0.0 111.787 175.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 89.5 mtp -55.23 -36.07 65.61 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 122.605 0.362 . . . . 0.0 111.355 177.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 43.2 mt -84.41 -56.08 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 C-N-CA 123.826 0.851 . . . . 0.0 109.169 -175.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -90.07 -21.31 22.37 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 115.35 1.611 . . . . 0.0 115.35 -168.275 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -72.13 -68.38 0.47 Allowed 'General case' 0 C--N 1.342 0.28 0 CA-C-N 120.37 1.441 . . . . 0.0 111.884 -168.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -165.89 -166.59 0.95 Allowed 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 126.964 2.106 . . . . 0.0 106.332 -179.513 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -80.26 46.18 0.81 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 119.844 1.202 . . . . 0.0 107.942 174.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.9 mt 50.49 46.71 25.09 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 125.255 1.422 . . . . 0.0 108.981 -166.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 1.111 ' O ' ' OXT' ' A' ' 90' ' ' GLY . 0.2 OUTLIER 61.22 73.73 0.47 Allowed 'General case' 0 C--N 1.344 0.35 0 O-C-N 123.975 0.797 . . . . 0.0 111.469 176.407 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 1.111 ' OXT' ' O ' ' A' ' 89' ' ' LYS . . . . . . . . 0 C--O 1.27 2.399 0 C-N-CA 127.613 2.53 . . . . 0.0 115.137 170.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 47.0 ttp . . . . . 0 N--CA 1.449 -0.481 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.24 153.77 36.77 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 105.816 -1.92 . . . . 0.0 105.816 176.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 89.1 p -70.4 159.44 84.78 Favored Pre-proline 0 CA--C 1.535 0.403 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 169.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -54.9 -40.9 83.21 Favored 'Trans proline' 0 N--CA 1.455 -0.766 0 C-N-CA 121.547 1.498 . . . . 0.0 110.646 172.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 84.2 mt -61.04 -57.41 12.7 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 122.88 0.472 . . . . 0.0 110.631 176.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -55.46 -42.51 74.39 Favored 'General case' 0 C--O 1.221 -0.406 0 C-N-CA 122.535 0.334 . . . . 0.0 110.306 -178.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -65.29 -49.11 70.75 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.411 0.551 . . . . 0.0 111.549 177.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.93 -55.29 20.1 Favored 'General case' 0 C--O 1.232 0.137 0 O-C-N 121.976 -0.453 . . . . 0.0 110.408 -173.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 48.6 mt -61.02 -37.36 77.14 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 173.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -42.3 -36.96 2.27 Favored Glycine 0 C--N 1.335 0.518 0 C-N-CA 127.309 2.385 . . . . 0.0 113.967 170.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -57.57 -50.48 72.97 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.293 1.547 . . . . 0.0 109.264 175.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 39.1 mt -70.19 -50.11 43.46 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.559 1.144 . . . . 0.0 109.949 -177.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 84.5 mt -58.43 -30.56 41.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 C-N-CA 123.99 0.916 . . . . 0.0 110.532 175.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.01 -61.75 3.87 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 109.857 -1.297 . . . . 0.0 109.857 176.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 55.0 mt -49.18 -40.45 13.5 Favored 'Isoleucine or valine' 0 C--N 1.34 0.195 0 C-N-CA 123.739 0.816 . . . . 0.0 110.65 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -32.85 -71.17 0.06 Allowed 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 125.609 1.563 . . . . 0.0 113.972 -177.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 3.8 p80 -92.96 13.49 20.48 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 123.133 0.573 . . . . 0.0 112.343 -178.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -53.43 -41.67 66.3 Favored 'General case' 0 CA--C 1.527 0.084 0 CA-C-N 119.153 0.888 . . . . 0.0 110.191 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -70.44 -9.31 56.11 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -179.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 9.5 m -78.26 -11.79 59.96 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 118.692 0.678 . . . . 0.0 110.718 168.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -76.83 52.68 3.26 Favored Glycine 0 CA--C 1.529 0.962 0 C-N-CA 124.982 1.277 . . . . 0.0 111.857 -175.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 mtmm -138.27 -53.46 0.62 Allowed 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 127.532 2.333 . . . . 0.0 106.008 172.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 33.9 mp0 -67.35 -50.47 59.74 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 127.478 2.311 . . . . 0.0 110.118 171.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 145.95 150.38 5.19 Favored Glycine 0 CA--C 1.528 0.849 0 N-CA-C 107.267 -2.333 . . . . 0.0 107.267 -170.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -71.0 68.74 0.45 Allowed 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 118.865 1.332 . . . . 0.0 113.372 -168.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -72.63 113.58 9.82 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 128.34 2.656 . . . . 0.0 107.804 175.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 33.2 m170 -77.75 42.01 0.36 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.3 0.64 . . . . 0.0 112.471 -175.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 57.3 p -155.28 132.85 11.19 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 126.654 1.982 . . . . 0.0 107.057 170.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 16.3 mt -98.51 152.01 20.01 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 123.088 0.555 . . . . 0.0 109.885 175.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 15.3 m -107.96 -67.35 0.97 Allowed 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 -170.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.44 -64.07 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 125.76 1.624 . . . . 0.0 109.813 -174.127 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -55.82 -34.85 65.75 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-O 121.057 0.456 . . . . 0.0 111.568 -175.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 20.3 mp0 -68.61 -47.38 66.84 Favored 'General case' 0 N--CA 1.443 -0.776 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 178.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 23.9 mt -59.9 -46.99 87.59 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.846 -179.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -46.6 -44.51 18.26 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 118.83 0.741 . . . . 0.0 111.414 -179.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -74.21 -43.56 56.69 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 178.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 tt -67.77 -56.9 7.44 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 124.043 0.937 . . . . 0.0 111.443 -175.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 6.1 pt -61.22 -58.27 8.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 C-N-CA 123.393 0.677 . . . . 0.0 111.877 -167.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -49.2 -56.75 8.3 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.523 0.729 . . . . 0.0 110.412 176.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -73.64 -62.21 1.57 Allowed 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -168.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -92.48 -31.08 15.39 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -168.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 17.5 mt -82.61 -56.3 3.94 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-N 119.388 0.995 . . . . 0.0 111.793 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 16.8 p -65.63 154.81 37.76 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 119.61 1.095 . . . . 0.0 111.678 -173.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -42.19 -59.13 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 125.058 1.343 . . . . 0.0 113.826 -177.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.27 -73.95 0.29 Allowed Glycine 0 CA--C 1.532 1.099 0 N-CA-C 110.496 -1.042 . . . . 0.0 110.496 -168.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 40.7 m -76.61 61.35 1.78 Allowed 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.1 1.36 . . . . 0.0 112.177 -172.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 23.6 ttmt -172.58 -46.39 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 125.711 1.604 . . . . 0.0 108.657 172.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 49.6 mt 58.2 -153.04 0.39 Allowed 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 -165.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 74.17 -62.04 0.47 Allowed 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 126.907 2.083 . . . . 0.0 109.724 -178.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -78.01 66.17 3.58 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.831 1.252 . . . . 0.0 107.901 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -96.87 -82.34 0.41 Allowed 'General case' 0 C--O 1.233 0.226 0 C-N-CA 123.559 0.744 . . . . 0.0 111.029 -173.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 54.7 mp0 -58.61 -44.32 89.89 Favored 'General case' 0 N--CA 1.457 -0.092 0 C-N-CA 123.781 0.832 . . . . 0.0 109.675 -172.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 7.7 tp -53.2 -33.87 21.07 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 C-N-CA 124.215 1.006 . . . . 0.0 111.967 175.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 82.5 t -82.14 -48.62 18.19 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.135 0 CA-C-N 118.447 0.567 . . . . 0.0 109.639 176.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -51.77 -40.95 61.22 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 118.583 0.629 . . . . 0.0 111.158 178.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 59.0 tp -46.12 -38.43 8.12 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.767 0.827 . . . . 0.0 112.236 172.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 14.1 mmt -90.01 -52.08 5.14 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.786 0.834 . . . . 0.0 110.078 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -60.9 -36.79 80.17 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 125.07 1.348 . . . . 0.0 112.118 -173.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -72.43 -1.28 15.1 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 119.748 -1.845 . . . . 0.0 113.035 175.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 77.8 mt -64.78 -3.55 3.44 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.109 -0.994 . . . . 0.0 110.948 168.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -46.28 -34.73 4.69 Favored 'General case' 0 C--N 1.346 0.453 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 163.483 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . 0.288 73.0 mtm-85 -77.62 22.97 0.24 Allowed 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 178.355 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -49.48 -44.43 45.94 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.291 0.95 . . . . 0.0 109.01 166.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . 0.426 ' HZ3' ' CG ' ' B' ' 65' ' ' ASP 0.343 0.0 OUTLIER 61.77 -15.23 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 118.161 2.652 . . . . 0.0 118.161 169.045 . . . . . . . . 4 4 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.426 ' CG ' ' HZ3' ' B' ' 64' ' ' LYS . 50.7 m-20 -67.59 -24.74 65.53 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 120.213 1.37 . . . . 0.0 111.487 178.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.79 166.26 24.88 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 126.295 1.838 . . . . 0.0 108.691 -177.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -72.82 142.19 48.01 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 168.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 77.6 t -69.29 104.93 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 N-CA-C 106.384 -1.71 . . . . 0.0 106.384 173.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -99.88 -173.03 2.34 Favored 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 106.6 -1.63 . . . . 0.0 106.6 175.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -61.01 -36.02 78.4 Favored 'General case' 0 C--O 1.222 -0.35 0 C-N-CA 119.36 -0.936 . . . . 0.0 110.316 -173.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.45 -61.24 2.44 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 118.126 0.421 . . . . 0.0 110.141 -176.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 27.4 mp0 -63.93 -51.25 65.28 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -178.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -44.69 -53.93 6.75 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.613 0.765 . . . . 0.0 112.061 -178.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 10.5 tp -77.68 -41.5 28.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 122.784 0.434 . . . . 0.0 110.923 -172.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 54.4 m -59.62 -46.41 89.07 Favored 'General case' 0 C--N 1.339 0.129 0 CA-C-O 121.597 0.713 . . . . 0.0 109.297 177.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -52.47 -62.17 1.82 Allowed 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 126.382 1.873 . . . . 0.0 109.408 171.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -42.47 -46.6 4.84 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-N 118.968 0.804 . . . . 0.0 111.336 173.64 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.16 -59.67 10.38 Favored Glycine 0 CA--C 1.526 0.768 0 C-N-CA 124.104 0.859 . . . . 0.0 111.517 178.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.75 -50.05 74.52 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 117.967 0.883 . . . . 0.0 110.115 -177.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 9.8 mp -49.75 -53.38 25.25 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 124.477 1.111 . . . . 0.0 109.761 174.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.49 -54.19 46.62 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.582 0.753 . . . . 0.0 110.799 -176.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 39.1 ttp -44.07 -54.68 5.3 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.086 1.354 . . . . 0.0 108.933 176.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 30.3 mm -65.58 -71.25 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 122.69 0.396 . . . . 0.0 111.082 178.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -61.28 -22.77 65.15 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 -167.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -64.45 -75.3 0.09 Allowed 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 177.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -160.51 43.2 0.19 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.666 -178.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . 46.76 37.62 4.93 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 -169.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 41.68 59.09 2.58 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 126.578 1.951 . . . . 0.0 111.626 -169.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 29.2 mmtm 63.04 39.41 10.12 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 125.771 1.629 . . . . 0.0 108.39 178.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.269 2.334 0 N-CA-C 109.394 -1.482 . . . . 0.0 109.394 -168.956 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.391 0 N-CA-C 112.2 0.445 . . . . 0.0 112.2 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.29 -93.56 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.208 1.003 . . . . 0.0 112.389 -174.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -68.78 163.88 51.33 Favored Pre-proline 0 CA--C 1.535 0.37 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -178.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -47.28 -45.78 21.36 Favored 'Trans proline' 0 CA--C 1.534 0.477 0 C-N-CA 122.385 2.057 . . . . 0.0 111.586 170.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -48.29 -59.62 3.29 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.522 0.729 . . . . 0.0 109.624 171.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -61.83 -28.83 69.75 Favored 'General case' 0 C--O 1.225 -0.204 0 C-N-CA 124.052 0.941 . . . . 0.0 111.588 -176.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -70.19 -53.14 18.37 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 119.09 0.859 . . . . 0.0 110.005 176.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.99 -52.02 67.17 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 121.163 0.506 . . . . 0.0 110.334 177.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 24.9 mm -53.84 -44.78 61.44 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.409 0 C-N-CA 123.504 0.722 . . . . 0.0 109.434 173.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -51.29 -54.16 24.82 Favored Glycine 0 CA--C 1.525 0.695 0 C-N-CA 124.909 1.243 . . . . 0.0 111.562 175.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -54.28 -53.45 53.61 Favored 'General case' 0 CA--C 1.528 0.128 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 175.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.0 mt -56.55 -39.05 72.75 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 119.227 -0.416 . . . . 0.0 111.858 -178.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.5 mt -64.83 -48.16 85.5 Favored 'Isoleucine or valine' 0 C--O 1.23 0.076 0 C-N-CA 124.931 1.292 . . . . 0.0 109.223 176.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.0 -53.03 35.89 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.273 -1.131 . . . . 0.0 110.273 177.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.5 mm -57.6 -67.14 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 123.33 0.652 . . . . 0.0 109.448 176.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -29.9 -70.23 0.06 Allowed 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 126.471 1.908 . . . . 0.0 111.71 172.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . 0.283 1.1 m-70 -79.44 6.3 10.57 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 115.443 1.646 . . . . 0.0 115.443 -173.424 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.85 -22.59 65.12 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.825 1.193 . . . . 0.0 108.515 166.423 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -117.75 47.61 1.52 Allowed 'General case' 0 C--O 1.225 -0.202 0 C-N-CA 124.003 0.921 . . . . 0.0 109.424 -175.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.7 m -77.98 47.11 0.62 Allowed 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -178.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 74.88 102.32 0.1 OUTLIER Glycine 0 C--N 1.335 0.51 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 168.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -75.4 46.83 0.36 Allowed 'General case' 0 CA--C 1.541 0.622 0 O-C-N 121.266 -1.137 . . . . 0.0 110.822 172.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -172.83 -135.3 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 127.156 2.182 . . . . 0.0 109.222 178.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.24 -33.02 37.0 Favored Glycine 0 CA--C 1.524 0.655 0 C-N-CA 126.987 2.232 . . . . 0.0 111.89 -171.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -55.77 114.22 1.8 Allowed 'General case' 0 C--O 1.223 -0.313 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 169.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.36 40.52 3.72 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 107.324 -1.361 . . . . 0.0 107.324 170.521 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -148.21 -34.57 0.22 Allowed 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 -170.101 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 61.8 p -132.12 -153.03 0.53 Allowed 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -177.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.0 mp -117.16 86.21 2.47 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 173.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.2 t -50.64 78.91 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 126.3 1.84 . . . . 0.0 113.288 172.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.292 32.2 mttp 16.53 -55.99 0.0 OUTLIER 'General case' 0 C--N 1.341 0.225 1 C-N-CA 133.97 4.908 . . . . 0.0 118.967 -175.965 . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.74 -32.71 44.62 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 120.134 1.333 . . . . 0.0 110.337 169.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -49.93 -56.24 11.33 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 122.028 0.918 . . . . 0.0 110.899 167.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.08 -25.68 63.64 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.307 -176.153 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.1 mmpt? -65.33 -42.85 92.5 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 120.81 -1.181 . . . . 0.0 110.865 172.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -56.55 -33.63 66.31 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 121.959 0.885 . . . . 0.0 110.959 172.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.4 tt -72.96 -75.09 0.15 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.894 1.278 . . . . 0.0 111.209 178.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 13.7 tt -43.98 -49.21 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 C-N-CA 126.196 1.799 . . . . 0.0 113.829 -168.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -59.59 -30.38 68.62 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.159 0.583 . . . . 0.0 111.26 -173.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -92.35 -91.61 0.16 Allowed 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 125.196 1.398 . . . . 0.0 113.785 -167.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.0 pm0 -84.91 -45.62 12.06 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 117.819 2.525 . . . . 0.0 117.819 -164.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.31 20.01 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 118.46 2.763 . . . . 0.0 118.46 -164.72 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.0 t -125.22 -166.22 1.51 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.868 1.267 . . . . 0.0 108.29 173.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.3 mt -81.53 69.48 0.56 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.147 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 -178.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 67.28 165.24 2.47 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 126.117 1.817 . . . . 0.0 110.221 -172.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.22 28.51 0.08 Allowed 'General case' 0 CA--C 1.538 0.509 0 O-C-N 120.872 -1.37 . . . . 0.0 113.094 -177.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 172.31 -43.95 0.01 OUTLIER 'General case' 0 C--N 1.34 0.191 0 C-N-CA 126.836 2.055 . . . . 0.0 111.623 178.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.9 tt -33.34 -57.76 0.41 Allowed 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.883 1.673 . . . . 0.0 111.996 -168.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -138.0 54.17 1.8 Allowed 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 167.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -117.58 147.35 42.91 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 125.426 1.49 . . . . 0.0 108.553 177.633 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -136.61 148.29 47.39 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 123.974 0.91 . . . . 0.0 109.744 176.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -63.96 -31.61 72.86 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 -174.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 50.0 pt -56.0 -35.46 41.18 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.792 0 CA-C-O 118.717 -0.659 . . . . 0.0 111.456 169.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.1 t -65.85 -52.44 49.59 Favored 'Isoleucine or valine' 0 C--N 1.343 0.295 0 CA-C-N 119.488 1.04 . . . . 0.0 108.35 175.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -52.66 -46.2 67.06 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 122.091 0.156 . . . . 0.0 111.034 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.5 mt -59.45 -30.46 68.52 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 123.16 0.584 . . . . 0.0 112.299 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 26.1 mmt -78.08 -57.15 3.95 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 118.979 0.809 . . . . 0.0 109.192 172.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -66.6 -15.34 63.37 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 126.033 1.733 . . . . 0.0 113.739 -169.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -59.26 -5.7 0.79 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.944 0.897 . . . . 0.0 110.4 165.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 mt -26.9 -33.33 0.0 OUTLIER 'General case' 0 C--N 1.344 0.36 1 C-N-CA 132.305 4.242 . . . . 0.0 115.73 169.532 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -42.23 -31.29 0.37 Allowed 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.242 0.928 . . . . 0.0 111.27 167.44 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -36.41 -52.12 0.83 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 127.953 2.501 . . . . 0.0 112.144 169.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -29.92 -88.65 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 129.478 3.111 . . . . 0.0 116.69 -169.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.82 128.35 35.34 Favored 'General case' 0 N--CA 1.44 -0.953 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 -167.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 41.2 t0 6.85 79.34 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 129.285 3.034 . . . . 0.0 114.073 169.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 53.11 -59.76 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 129.13 2.972 . . . . 0.0 118.356 164.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.47 157.1 1.58 Allowed 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 124.478 1.111 . . . . 0.0 111.415 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.5 p -162.82 85.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-O 123.015 1.388 . . . . 0.0 110.819 178.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -83.09 173.05 12.07 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 126.16 1.784 . . . . 0.0 109.194 171.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -47.84 -52.34 19.46 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.345 1.058 . . . . 0.0 111.425 -174.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -47.67 -47.34 29.6 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.081 0.552 . . . . 0.0 111.449 177.276 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -71.31 -53.88 12.72 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 -176.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -44.01 -45.2 7.77 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.174 1.389 . . . . 0.0 111.498 175.114 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 23.0 mm -60.8 -30.15 46.65 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 CA-C-O 117.94 -1.028 . . . . 0.0 112.629 -177.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 76.1 p -55.41 -54.31 45.28 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 121.043 1.747 . . . . 0.0 111.591 -170.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 14.6 p90 -64.32 -43.44 94.67 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.236 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 20.2 mt -52.91 -49.79 65.25 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.419 0.554 . . . . 0.0 110.018 172.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -52.89 -50.06 52.11 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 124.166 0.889 . . . . 0.0 112.684 174.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.33 -56.65 19.14 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 117.7 0.75 . . . . 0.0 110.296 176.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.4 tp -54.31 -40.31 67.82 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.249 1.419 . . . . 0.0 111.069 -177.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -46.76 -49.52 19.57 Favored 'General case' 0 C--N 1.339 0.144 0 C-N-CA 124.231 1.012 . . . . 0.0 111.553 175.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 74.7 mtm -67.38 -13.65 62.21 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 118.94 -0.553 . . . . 0.0 112.37 -178.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 45.0 mt -91.06 -71.36 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 171.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . 0.254 0.0 OUTLIER -77.17 -31.37 55.42 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -168.425 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.34 23.18 4.63 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.226 1.011 . . . . 0.0 112.155 -176.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -41.57 140.07 1.01 Allowed 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 122.809 1.29 . . . . 0.0 113.62 -169.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 148.69 -32.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 1 C-N-CA 132.621 4.368 . . . . 0.0 106.548 -168.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.5 mp -58.3 -39.65 79.88 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 125.594 1.557 . . . . 0.0 111.139 178.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.821 ' O ' ' OXT' ' A' ' 90' ' ' GLY . 21.4 mtmm -103.89 -43.86 5.19 Favored 'General case' 0 N--CA 1.458 -0.062 0 C-N-CA 123.22 0.608 . . . . 0.0 109.429 176.266 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.821 ' OXT' ' O ' ' A' ' 89' ' ' LYS . . . . . . . . 0 C--O 1.271 2.433 0 C-N-CA 124.7 1.143 . . . . 0.0 111.177 179.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.3 tpt . . . . . 0 N--CA 1.449 -0.478 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.95 61.0 1.25 Allowed 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.906 0.882 . . . . 0.0 109.479 179.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.23 166.48 20.33 Favored Pre-proline 0 CA--C 1.54 0.566 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 172.372 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -50.77 -48.07 22.36 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 122.794 2.329 . . . . 0.0 112.94 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 63.5 mt -61.54 -54.86 37.64 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 122.796 0.439 . . . . 0.0 110.105 -179.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -45.93 -54.99 7.34 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 126.05 1.74 . . . . 0.0 109.29 175.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 13.5 tp60 -58.56 -42.01 86.94 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 124.028 0.931 . . . . 0.0 110.613 178.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.03 -44.05 97.0 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.834 0.743 . . . . 0.0 111.419 178.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 39.7 mm -57.88 -48.41 83.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 171.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.35 -46.52 22.24 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.301 -0.72 . . . . 0.0 111.301 170.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.43 -46.27 89.31 Favored 'General case' 0 C--O 1.224 -0.266 0 C-N-CA 124.534 1.134 . . . . 0.0 110.027 -179.235 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 47.3 mt -56.46 -44.27 80.35 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 119.298 0.954 . . . . 0.0 111.448 173.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 48.4 mt -64.43 -36.47 77.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 176.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.01 -56.59 24.32 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.541 -1.024 . . . . 0.0 110.541 172.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 95.3 mt -55.28 -39.79 53.47 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.183 0 CA-C-O 118.208 -0.901 . . . . 0.0 109.549 178.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -56.31 -77.96 0.03 OUTLIER 'General case' 0 C--N 1.341 0.224 0 CA-C-N 118.878 0.763 . . . . 0.0 109.176 168.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . 0.442 0.3 OUTLIER -73.28 2.43 7.46 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 118.485 2.772 . . . . 0.0 118.485 -168.667 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -60.68 -38.86 86.35 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 163.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -82.05 143.53 31.47 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 169.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 14.7 m 91.87 36.92 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 127.006 2.122 . . . . 0.0 106.128 -164.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.5 -19.79 77.97 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 121.935 -0.478 . . . . 0.0 113.167 -168.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.12 -167.12 1.56 Allowed 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 106.415 -1.698 . . . . 0.0 106.415 -175.215 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 80.12 141.51 0.07 Allowed 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 127.079 2.152 . . . . 0.0 110.247 -177.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.87 163.39 33.33 Favored Glycine 0 CA--C 1.529 0.916 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 172.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.8 t70 68.62 -27.76 0.15 Allowed 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 115.208 1.558 . . . . 0.0 115.208 176.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . 0.309 0.0 OUTLIER -55.42 67.21 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 120.069 3.359 . . . . 0.0 120.069 -164.388 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -70.08 -24.45 63.23 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 127.215 2.206 . . . . 0.0 110.908 167.355 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.42 162.63 16.87 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 128.03 2.532 . . . . 0.0 108.694 -169.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 10.9 mt -71.89 114.66 10.23 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 107.154 -1.425 . . . . 0.0 107.154 168.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.22 154.89 36.79 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 170.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -41.13 -57.34 2.09 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.214 1.005 . . . . 0.0 112.285 176.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.32 -29.98 66.33 Favored 'General case' 0 C--N 1.342 0.243 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 -178.35 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -69.68 -47.03 64.69 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 tt -62.18 -45.33 93.87 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 120.085 -0.646 . . . . 0.0 110.892 179.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 55.7 mmtt -52.88 -45.35 67.43 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 118.917 0.78 . . . . 0.0 110.007 176.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -71.44 -27.31 63.18 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -177.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 tt -66.9 -65.49 0.67 Allowed 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 125.897 1.679 . . . . 0.0 109.724 173.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 24.0 pt -54.92 -37.31 41.07 Favored 'Isoleucine or valine' 0 C--N 1.338 0.103 0 C-N-CA 122.969 0.508 . . . . 0.0 112.22 -168.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -66.11 -36.36 82.96 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 118.554 -0.736 . . . . 0.0 112.376 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm -93.32 -74.42 0.53 Allowed 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 115.897 1.814 . . . . 0.0 115.897 -168.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -90.72 -43.54 10.05 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 115.743 1.757 . . . . 0.0 115.743 -164.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -27.79 -70.18 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 118.088 2.625 . . . . 0.0 118.088 -165.429 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.4 154.24 18.66 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.598 1.159 . . . . 0.0 110.895 -168.021 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 31.2 pt 25.37 62.37 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 127.028 2.131 . . . . 0.0 114.57 172.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 51.39 39.97 45.11 Favored Glycine 0 CA--C 1.533 1.16 0 C-N-CA 124.386 0.993 . . . . 0.0 113.848 176.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 3.3 m 98.74 56.15 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 127.73 2.412 . . . . 0.0 111.811 176.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 35.12 62.13 0.58 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 127.475 2.31 . . . . 0.0 114.919 169.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 7.3 mp -69.85 77.4 0.46 Allowed 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 169.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 65.04 50.24 1.91 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.493 1.517 . . . . 0.0 110.814 -177.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.433 ' CG ' ' HZ1' ' B' ' 55' ' ' LYS . 25.2 t0 -70.72 166.79 20.11 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.733 0.813 . . . . 0.0 109.998 170.466 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.13 80.38 1.26 Allowed 'General case' 0 N--CA 1.442 -0.853 0 N-CA-C 106.732 -1.581 . . . . 0.0 106.732 168.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -43.88 -45.24 7.45 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 125.384 1.474 . . . . 0.0 109.463 171.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 32.7 pt -55.89 -36.77 45.11 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 C-N-CA 124.19 0.996 . . . . 0.0 111.824 -179.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 82.7 t -71.34 -32.42 46.84 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.202 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 177.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.433 ' HZ1' ' CG ' ' B' ' 50' ' ' ASP . 0.0 OUTLIER -65.16 -46.64 80.0 Favored 'General case' 0 C--O 1.226 -0.169 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 174.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 92.8 mt -57.08 -46.97 82.11 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 122.286 0.234 . . . . 0.0 110.927 177.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 16.4 tmm? -57.78 -49.68 75.78 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.659 -0.651 . . . . 0.0 110.149 175.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . 0.411 ' C ' ' H ' ' B' ' 60' ' ' LEU 0.404 0.5 OUTLIER -90.38 27.77 1.61 Allowed 'General case' 0 CA--C 1.507 -0.688 0 N-CA-C 117.79 2.515 . . . . 0.0 117.79 -175.047 . . . . . . . . 4 4 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -58.8 34.75 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 130.167 3.387 . . . . 0.0 110.553 161.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.411 ' H ' ' C ' ' B' ' 58' ' ' ASP . 7.2 tt -32.2 -23.62 0.0 OUTLIER 'General case' 0 C--N 1.347 0.462 1 C-N-CA 134.644 5.177 . . . . 0.0 114.947 -172.735 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -42.2 -31.32 0.37 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.714 1.605 . . . . 0.0 110.49 164.771 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 17.1 ptt180 -41.75 -34.38 0.62 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.562 1.945 . . . . 0.0 113.959 171.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -90.89 -101.59 0.1 Allowed 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 117.496 2.406 . . . . 0.0 117.496 -166.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.79 126.81 31.44 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 -163.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . 0.316 0.2 OUTLIER 67.56 -44.61 0.48 Allowed 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 130.602 3.561 . . . . 0.0 112.376 178.49 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 125.0 -16.47 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.439 1 C-N-CA 132.585 4.354 . . . . 0.0 112.03 169.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -103.06 173.71 6.19 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 166.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 2.8 t -124.19 145.73 30.85 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.171 0 C-N-CA 123.416 0.686 . . . . 0.0 109.354 -177.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -109.73 -154.8 0.54 Allowed 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 125.426 1.49 . . . . 0.0 108.323 175.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -76.69 -39.47 51.96 Favored 'General case' 0 C--O 1.223 -0.333 0 O-C-N 121.152 -0.967 . . . . 0.0 110.506 177.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -55.09 -56.97 13.9 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 118.382 0.537 . . . . 0.0 111.803 -172.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -61.34 -51.92 66.82 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -177.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -42.39 -62.94 0.85 Allowed 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.928 1.291 . . . . 0.0 110.77 175.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 10.9 tp -70.51 -36.1 64.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 O-C-N 121.481 -0.762 . . . . 0.0 111.071 -172.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 88.5 m -56.85 -45.76 82.2 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 119.052 0.842 . . . . 0.0 109.524 173.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -64.81 -57.14 9.67 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 126.253 1.821 . . . . 0.0 111.119 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 6.6 mp -47.15 -47.2 23.72 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 118.604 0.638 . . . . 0.0 110.188 169.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.55 -53.61 34.64 Favored Glycine 0 CA--C 1.524 0.627 0 C-N-CA 125.217 1.389 . . . . 0.0 111.03 178.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.41 -51.33 69.87 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.726 0.81 . . . . 0.0 110.623 178.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 90.5 mt -61.81 -41.98 98.44 Favored 'General case' 0 CA--C 1.532 0.272 0 O-C-N 121.786 -0.571 . . . . 0.0 110.543 -178.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.96 -43.59 98.54 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.501 0.72 . . . . 0.0 110.282 174.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 21.0 ttp -51.41 -34.15 33.41 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.932 0.893 . . . . 0.0 110.04 174.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 67.4 mt -74.81 -77.27 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 169.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . 0.28 49.9 p90 -57.43 -37.18 72.37 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 115.787 1.773 . . . . 0.0 115.787 -166.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -75.74 29.56 0.11 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.899 1.28 . . . . 0.0 112.945 175.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -17.86 -45.79 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 130.706 3.603 . . . . 0.0 118.56 -169.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -41.22 -42.05 2.0 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.661 1.184 . . . . 0.0 113.197 -177.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 2.7 pp -59.77 -27.12 66.26 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 28.3 mtmm -87.65 -56.0 3.54 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 168.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.369 0 N-CA-C 110.741 -0.944 . . . . 0.0 110.741 175.675 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.531 ' H3 ' ' HG ' ' B' ' 3' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.426 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 53.93 46.99 24.48 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.879 1.272 . . . . 0.0 110.877 -175.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.1 m -48.21 121.33 9.02 Favored Pre-proline 0 CA--C 1.536 0.426 0 CA-C-O 117.89 -1.052 . . . . 0.0 108.623 172.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -37.37 -54.09 1.22 Allowed 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 124.557 3.505 . . . . 0.0 116.513 -168.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -66.91 -43.36 83.55 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 121.471 -0.768 . . . . 0.0 110.941 -178.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -58.83 -47.94 83.07 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 121.526 -0.734 . . . . 0.0 109.579 175.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.5 tp60 -54.83 -39.45 68.55 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.415 0.686 . . . . 0.0 110.628 173.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.2 -43.4 92.25 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 119.238 0.926 . . . . 0.0 111.108 173.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 22.9 mm -61.23 -38.19 79.23 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 O-C-N 121.087 -1.008 . . . . 0.0 110.169 171.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -51.42 -47.33 51.32 Favored Glycine 0 CA--C 1.535 1.342 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 168.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.9 mp -60.16 -39.75 87.48 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-O 117.709 -1.139 . . . . 0.0 110.993 173.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.1 mp -55.27 -50.34 69.75 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 121.143 1.792 . . . . 0.0 110.096 172.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 86.1 mt -58.1 -44.47 87.45 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 O-C-N 121.996 -0.44 . . . . 0.0 110.51 178.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.14 -65.24 3.41 Favored Glycine 0 CA--C 1.534 1.256 0 O-C-N 121.741 -0.6 . . . . 0.0 111.948 176.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.5 tt -60.13 -31.31 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 125.591 1.556 . . . . 0.0 111.771 -169.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -30.04 -73.96 0.03 OUTLIER 'General case' 0 C--N 1.344 0.369 0 C-N-CA 125.494 1.518 . . . . 0.0 111.692 176.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.425 ' NE2' ' OD2' ' A' ' 25' ' ' ASP . 0.0 OUTLIER -90.4 20.03 4.79 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 126.522 1.929 . . . . 0.0 113.119 -178.614 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -43.51 65.39 Favored 'General case' 0 N--CA 1.461 0.118 0 N-CA-C 104.401 -2.444 . . . . 0.0 104.401 165.579 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -69.4 78.92 0.39 Allowed 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 169.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.6 m -129.06 24.18 5.62 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 126.236 1.814 . . . . 0.0 109.887 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.98 -63.66 3.81 Favored Glycine 0 C--N 1.336 0.582 0 N-CA-C 106.413 -2.675 . . . . 0.0 106.413 -169.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.0 mmmp? -117.37 -120.28 0.31 Allowed 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 166.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.4 mp0 -127.8 122.34 32.49 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 -170.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -172.83 130.24 1.86 Allowed Glycine 0 CA--C 1.523 0.573 0 N-CA-C 108.063 -2.015 . . . . 0.0 108.063 177.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.425 ' OD2' ' NE2' ' A' ' 17' ' ' HIS . 10.2 t70 -69.41 -72.8 0.17 Allowed 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 117.562 0.681 . . . . 0.0 110.462 -176.315 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 43.5 mmtm -68.63 76.04 0.28 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.639 1.176 . . . . 0.0 109.662 -175.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -153.91 124.45 7.09 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.279 1.032 . . . . 0.0 109.306 -169.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 p -78.1 152.27 32.96 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 125.223 1.409 . . . . 0.0 110.317 176.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.3 mt -83.44 71.84 10.27 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 121.545 -0.722 . . . . 0.0 109.163 -176.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.0 p -64.78 73.2 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.641 1.576 . . . . 0.0 114.153 -174.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.331 0.0 OUTLIER 55.6 -61.4 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 129.878 3.271 . . . . 0.0 115.58 175.612 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.1 pttp -56.96 -41.09 77.68 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.187 -0.946 . . . . 0.0 109.974 175.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.6 mp0 -52.71 -51.9 58.4 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.835 -0.541 . . . . 0.0 111.215 170.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.7 mt -59.61 -44.95 93.26 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 118.358 0.526 . . . . 0.0 111.111 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.27 -51.3 45.99 Favored 'General case' 0 C--N 1.34 0.181 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 171.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -65.89 -32.33 73.78 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -175.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.2 tt -62.09 -77.4 0.05 OUTLIER 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 126.062 1.745 . . . . 0.0 109.546 176.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.2 pt -53.42 -0.48 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.553 1.081 0 N-CA-C 116.865 2.172 . . . . 0.0 116.865 -166.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -90.57 -59.85 2.07 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 120.763 1.619 . . . . 0.0 108.199 168.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.2 mttp -78.5 32.19 0.19 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 129.847 3.259 . . . . 0.0 107.558 169.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -27.88 -108.12 0.0 OUTLIER 'General case' 0 N--CA 1.425 -1.712 1 C-N-CA 131.711 4.005 . . . . 0.0 118.915 -158.553 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . 0.376 7.6 mt -98.41 -97.03 0.22 Allowed 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 113.928 -1.487 . . . . 0.0 114.129 -162.378 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.0 m -157.37 156.35 32.13 Favored 'General case' 0 N--CA 1.463 0.198 0 O-C-N 121.068 -1.02 . . . . 0.0 110.304 -177.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.1 pt -79.86 59.91 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 124.069 0.948 . . . . 0.0 110.193 169.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -57.22 -41.23 92.74 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 109.731 -1.347 . . . . 0.0 109.731 170.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.0 p -156.23 -59.58 0.1 Allowed 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 125.34 1.456 . . . . 0.0 107.108 171.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt 62.82 34.58 14.35 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 126.082 1.753 . . . . 0.0 113.227 173.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.2 mp -67.01 -34.74 78.4 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 165.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -164.54 -41.09 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.506 1.522 . . . . 0.0 110.188 172.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . 0.375 1.7 p30 67.08 -129.74 0.16 Allowed 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 107.0 -1.481 . . . . 0.0 107.0 -165.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -145.95 105.25 3.93 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 120.231 1.378 . . . . 0.0 107.991 170.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.2 mp0 -42.22 -51.22 4.79 Favored 'General case' 0 C--O 1.226 -0.147 0 C-N-CA 125.806 1.642 . . . . 0.0 110.703 178.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 38.8 mm -51.7 -48.69 37.16 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 123.434 0.693 . . . . 0.0 110.298 177.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 49.6 t -67.04 -53.63 31.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -176.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.7 pttm -62.42 -31.69 72.43 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 118.671 0.669 . . . . 0.0 111.887 -177.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 63.2 tp -65.09 -50.29 66.67 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.849 -0.532 . . . . 0.0 109.992 171.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.5 tpt -58.43 -47.92 82.38 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 122.966 0.506 . . . . 0.0 110.346 -177.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -42.91 -43.27 4.03 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 125.718 1.607 . . . . 0.0 111.875 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -62.55 3.85 0.18 Allowed 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -178.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 pp -84.36 -32.69 24.1 Favored 'General case' 0 CA--C 1.528 0.116 0 O-C-N 119.889 -1.757 . . . . 0.0 109.943 169.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -49.44 -37.85 27.25 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 125.083 1.353 . . . . 0.0 111.365 -170.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 31.3 ptt85 -53.38 -19.9 3.93 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 178.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -29.96 -49.74 0.11 Allowed 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 126.906 2.082 . . . . 0.0 115.603 -174.108 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.03 103.16 1.11 Allowed 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 -176.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.299 3.3 p30 68.18 -36.44 0.31 Allowed 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 128.535 2.734 . . . . 0.0 115.41 173.054 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 67.61 20.67 9.59 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.986 1.714 . . . . 0.0 112.901 -177.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -107.79 42.87 1.27 Allowed 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 105.972 -1.862 . . . . 0.0 105.972 167.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.4 m -62.46 158.16 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -167.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -115.48 -159.5 0.71 Allowed 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 124.982 1.313 . . . . 0.0 108.224 175.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -64.31 -31.92 73.31 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 118.886 -0.578 . . . . 0.0 111.437 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . 0.251 0.0 OUTLIER -62.65 -52.97 61.23 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 119.628 1.104 . . . . 0.0 113.582 -172.102 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.0 mp0 -60.54 -57.22 13.66 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 122.375 1.083 . . . . 0.0 108.632 -178.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -38.63 -60.39 0.82 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 126.049 1.74 . . . . 0.0 111.262 173.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 7.3 tp -72.87 -23.25 20.33 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.203 0 CA-C-O 118.634 -0.698 . . . . 0.0 112.025 -175.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 88.3 m -59.34 -56.31 23.7 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 119.884 1.22 . . . . 0.0 109.582 171.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -68.98 -46.12 68.89 Favored 'General case' 0 N--CA 1.458 -0.071 0 C-N-CA 120.359 -0.536 . . . . 0.0 111.743 -178.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.5 mt -56.69 -34.11 67.1 Favored 'General case' 0 C--O 1.224 -0.252 0 O-C-N 121.293 -0.879 . . . . 0.0 110.983 173.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.61 -47.56 82.43 Favored Glycine 0 CA--C 1.525 0.719 0 C-N-CA 124.167 0.889 . . . . 0.0 111.4 174.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.62 -49.52 64.95 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 117.699 0.749 . . . . 0.0 109.717 172.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 25.3 tp -64.05 -37.14 86.35 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 122.932 0.493 . . . . 0.0 111.57 179.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -48.33 -50.9 28.5 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 126.219 1.808 . . . . 0.0 112.302 -172.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 89.6 mtp -47.83 -34.0 8.12 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 125.658 1.849 . . . . 0.0 111.404 176.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 27.7 mm -90.96 -64.22 1.23 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 C-N-CA 124.488 1.115 . . . . 0.0 110.61 179.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . 0.272 0.2 OUTLIER -78.67 -44.49 23.57 Favored 'General case' 0 C--N 1.341 0.235 0 N-CA-C 115.704 1.742 . . . . 0.0 115.704 -166.928 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . 0.286 0.4 OUTLIER -92.12 -43.68 9.24 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 120.277 1.399 . . . . 0.0 113.323 -171.921 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -158.22 147.99 19.82 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 123.182 0.593 . . . . 0.0 110.038 -174.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -80.28 51.47 1.42 Allowed 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 105.764 -1.939 . . . . 0.0 105.764 162.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 79.7 mt 30.93 71.2 0.08 Allowed 'General case' 0 C--N 1.343 0.293 0 C-N-CA 129.282 3.033 . . . . 0.0 112.085 -169.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.67 ' O ' ' OXT' ' A' ' 90' ' ' GLY . 55.1 mmtt 63.43 -63.74 0.13 Allowed 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 127.969 2.508 . . . . 0.0 111.586 -169.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.67 ' OXT' ' O ' ' A' ' 89' ' ' LYS . . . . . . . . 0 C--O 1.269 2.309 0 C-N-CA 124.286 0.946 . . . . 0.0 111.063 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 72.2 mtm . . . . . 0 CA--C 1.53 0.192 0 CA-C-O 120.651 0.262 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -156.67 172.64 18.24 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 106.825 -1.546 . . . . 0.0 106.825 175.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' SER . . . . . 0.531 ' HG ' ' H3 ' ' A' ' 1' ' ' MET . 5.4 m -48.32 138.31 11.17 Favored Pre-proline 0 CA--C 1.538 0.499 0 C-N-CA 125.205 1.402 . . . . 0.0 110.581 178.276 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_exo -43.11 -58.49 1.33 Allowed 'Trans proline' 0 CA--C 1.534 0.499 0 C-N-CA 123.842 3.028 . . . . 0.0 115.325 -172.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 7.8 tt -59.81 -58.04 10.28 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 -176.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -49.2 -48.44 45.28 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 125.776 1.63 . . . . 0.0 110.281 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -61.19 -49.97 75.03 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.259 1.024 . . . . 0.0 110.324 178.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.18 -56.79 17.23 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 122.876 0.47 . . . . 0.0 110.581 -178.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 28.8 mm -62.13 -40.7 88.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 O-C-N 121.628 -0.67 . . . . 0.0 109.926 178.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.64 -44.07 16.45 Favored Glycine 0 CA--C 1.524 0.637 0 C-N-CA 125.568 1.556 . . . . 0.0 111.64 170.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.23 -62.66 1.52 Allowed 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 118.783 1.292 . . . . 0.0 108.651 175.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -54.65 -61.21 2.46 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.101 0.41 . . . . 0.0 111.15 -174.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 18.4 mt -69.59 -41.64 80.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 122.785 0.434 . . . . 0.0 110.77 -173.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.09 -63.23 3.93 Favored Glycine 0 CA--C 1.522 0.476 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -177.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 4.9 tp -54.68 -35.53 32.99 Favored 'Isoleucine or valine' 0 C--N 1.341 0.224 0 CA-C-O 119.083 -0.484 . . . . 0.0 110.636 -169.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -30.3 -69.92 0.06 Allowed 'General case' 0 C--N 1.343 0.311 0 C-N-CA 125.676 1.59 . . . . 0.0 112.129 175.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -92.07 0.79 57.47 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.13 -42.9 70.02 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 120.23 1.377 . . . . 0.0 110.598 -178.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -70.54 -4.63 23.97 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -178.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 68.2 m -78.98 -6.81 57.22 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 118.854 0.752 . . . . 0.0 110.378 166.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.48 -68.27 2.98 Favored Glycine 0 C--N 1.34 0.803 0 N-CA-C 108.127 -1.989 . . . . 0.0 108.127 -175.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 7.3 ptmm? -94.25 116.93 29.39 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 128.177 2.591 . . . . 0.0 107.36 174.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -98.09 -23.24 15.82 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 124.749 1.22 . . . . 0.0 113.627 -168.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.12 -53.38 34.5 Favored Glycine 0 CA--C 1.526 0.753 0 C-N-CA 124.155 0.883 . . . . 0.0 112.65 -169.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 27.8 p-10 -89.97 -49.53 6.54 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 124.823 1.249 . . . . 0.0 110.943 -174.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -69.01 79.41 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 122.397 1.094 . . . . 0.0 111.671 -176.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -77.69 2.56 16.44 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.108 1.363 . . . . 0.0 111.058 168.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 21.8 p -137.28 150.17 47.61 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 125.344 1.457 . . . . 0.0 108.903 177.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 10.4 mp -113.92 113.51 24.95 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 124.749 1.219 . . . . 0.0 107.731 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 40.8 p -79.75 58.21 2.74 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.432 1.093 . . . . 0.0 110.69 -177.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . 0.334 4.2 ptpp? 59.1 -42.87 0.07 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 130.045 3.338 . . . . 0.0 117.386 174.605 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -60.2 -45.12 94.24 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 120.541 -1.349 . . . . 0.0 109.796 178.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -57.92 -48.29 80.34 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 124.941 1.296 . . . . 0.0 109.445 175.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 13.1 tp -55.22 -51.83 65.3 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 176.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.84 -37.92 45.93 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 122.975 0.51 . . . . 0.0 110.284 178.402 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -73.48 -40.71 63.91 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 177.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.6 tt -57.68 -67.78 0.3 Allowed 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 126.246 1.818 . . . . 0.0 110.822 178.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 26.7 pt -57.78 6.52 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.553 1.072 0 C-N-CA 126.744 2.017 . . . . 0.0 116.406 -167.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -92.81 -68.6 0.79 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 127.555 2.342 . . . . 0.0 111.93 169.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.14 33.61 0.96 Allowed 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 129.961 3.304 . . . . 0.0 109.106 178.387 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . 0.41 ' CG ' ' H ' ' B' ' 42' ' ' LEU . 0.1 OUTLIER -69.82 -111.42 0.0 OUTLIER 'General case' 0 N--CA 1.435 -1.212 1 N-CA-C 122.757 4.354 . . . . 0.0 122.757 -160.351 . . . . . . . . 4 4 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . 0.41 ' H ' ' CG ' ' B' ' 41' ' ' GLU . 47.4 mt -101.26 -60.36 1.54 Allowed 'General case' 0 N--CA 1.445 -0.725 0 C-N-CA 127.445 2.298 . . . . 0.0 114.09 -164.395 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 18.9 p -52.62 71.62 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 129.254 3.022 . . . . 0.0 116.467 -166.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 17.9 pt -76.7 53.78 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-O 122.683 1.23 . . . . 0.0 110.242 167.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -76.91 62.07 3.3 Favored Glycine 0 CA--C 1.524 0.604 0 C-N-CA 125.793 1.663 . . . . 0.0 111.858 -172.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 15.7 m 47.64 43.51 16.47 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.594 1.158 . . . . 0.0 112.892 169.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 57.89 26.44 13.32 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.217 1.007 . . . . 0.0 113.533 179.411 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 62.4 tp -60.88 123.74 18.43 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 169.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 -82.69 58.59 4.32 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.858 0.863 . . . . 0.0 109.895 179.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -123.78 161.38 25.34 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 125.291 1.436 . . . . 0.0 107.356 168.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -147.45 -53.99 0.22 Allowed 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 106.584 -1.636 . . . . 0.0 106.584 169.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -45.07 -58.22 3.35 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 124.965 1.306 . . . . 0.0 112.305 177.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 1.7 mp -67.95 -52.81 35.43 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 CA-C-N 119.038 0.835 . . . . 0.0 109.481 -169.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 4.8 m -54.8 -46.76 74.99 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 O-C-N 121.789 -0.569 . . . . 0.0 111.257 177.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -50.44 73.5 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.215 0.461 . . . . 0.0 110.339 179.133 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 50.3 mt -56.84 -40.24 75.71 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 122.185 -0.322 . . . . 0.0 110.97 179.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 47.2 ttm -63.89 -63.25 1.21 Allowed 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 174.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -40.74 -49.45 3.09 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 127.079 2.152 . . . . 0.0 111.918 -178.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -56.01 -23.76 34.9 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 113.515 0.931 . . . . 0.0 113.515 -175.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 pp -60.0 -35.25 74.65 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 120.21 -1.556 . . . . 0.0 112.816 -176.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.4 ' OD1' ' NZ ' ' B' ' 64' ' ' LYS . 11.5 t70 -85.59 -5.11 59.31 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.495 0.665 . . . . 0.0 110.638 178.535 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.91 22.07 0.05 Allowed 'General case' 0 CA--C 1.538 0.498 0 O-C-N 119.834 -1.791 . . . . 0.0 113.323 -171.065 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 26.5 t30 -31.33 -77.54 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.527 1.531 . . . . 0.0 111.653 169.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . 0.4 ' NZ ' ' OD1' ' B' ' 61' ' ' ASP . 0.0 OUTLIER 39.63 44.79 1.29 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.658 1.183 . . . . 0.0 113.191 172.736 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -71.98 -49.88 33.55 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 106.005 -1.85 . . . . 0.0 106.005 168.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -56.37 149.09 17.35 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 168.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -61.24 133.19 55.66 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 172.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 12.2 t -69.79 143.12 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 CA-C-O 122.055 0.931 . . . . 0.0 110.738 -166.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -148.18 155.53 41.5 Favored 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 127.716 2.407 . . . . 0.0 105.15 -169.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -56.53 -33.09 65.74 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 123.277 0.361 . . . . 0.0 111.156 -172.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -56.34 -61.29 2.5 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 118.786 -0.626 . . . . 0.0 111.425 176.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -70.48 -33.45 71.27 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 118.879 -1.128 . . . . 0.0 110.301 -176.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -57.51 -54.18 49.75 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.299 0.639 . . . . 0.0 111.959 176.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 8.3 tp -68.11 -24.29 29.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -167.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 23.5 m -49.03 -54.31 16.35 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 119.623 1.102 . . . . 0.0 112.617 -176.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -62.07 -50.39 72.17 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 120.006 -0.678 . . . . 0.0 110.661 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 31.0 mt -51.13 -35.61 36.45 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.691 0.796 . . . . 0.0 111.699 177.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -61.25 -47.92 88.36 Favored Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 111.5 -0.64 . . . . 0.0 111.5 176.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.35 -53.62 49.75 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 174.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 21.0 tp -52.01 -41.13 61.98 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.47 1.108 . . . . 0.0 111.465 -176.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -48.77 -43.79 38.15 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 125.231 1.412 . . . . 0.0 112.025 177.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 80.1 mtp -65.7 -18.17 65.14 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.123 0.569 . . . . 0.0 111.194 -179.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 36.0 mt -92.51 -67.68 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 C-N-CA 124.254 1.022 . . . . 0.0 110.64 170.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -90.84 -17.78 25.97 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 118.151 2.649 . . . . 0.0 118.151 -165.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -88.76 -102.43 0.09 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 120.881 1.673 . . . . 0.0 109.506 -169.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -84.56 -13.26 52.27 Favored 'General case' 0 N--CA 1.452 -0.331 0 O-C-N 121.573 -0.705 . . . . 0.0 110.635 168.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . 55.51 33.01 20.16 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -163.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 67.3 mt 56.28 92.63 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 126.605 1.962 . . . . 0.0 110.114 -169.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . 0.848 ' O ' ' OXT' ' B' ' 90' ' ' GLY . 0.0 OUTLIER 52.17 30.9 8.29 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.445 1.098 . . . . 0.0 113.088 172.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . 0.848 ' OXT' ' O ' ' B' ' 89' ' ' LYS . . . . . . . . 0 C--O 1.269 2.331 0 O-C-N 121.178 -0.951 . . . . 0.0 111.344 -175.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.2 ttt . . . . . 0 CA--C 1.536 0.423 0 CA-C-O 118.998 -0.525 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 166.61 0.33 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.443 1.897 . . . . 0.0 113.078 -172.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.9 m -70.24 166.08 37.72 Favored Pre-proline 0 CA--C 1.536 0.435 0 O-C-N 121.032 -1.042 . . . . 0.0 109.949 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -44.2 -40.84 12.87 Favored 'Trans proline' 0 CA--C 1.534 0.523 0 C-N-CA 123.497 2.798 . . . . 0.0 113.221 172.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 55.9 tp -49.82 -57.31 7.64 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.991 0.917 . . . . 0.0 111.269 171.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -60.52 -50.41 73.67 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 123.62 0.768 . . . . 0.0 109.084 -179.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -51.33 -41.31 60.47 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.735 0.814 . . . . 0.0 110.469 179.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.06 -11.37 60.92 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.1 mt -91.45 -52.49 10.15 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 167.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -41.59 -46.31 4.65 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 125.453 1.501 . . . . 0.0 111.999 175.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 65.6 tp -42.39 -50.48 5.11 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 125.203 1.401 . . . . 0.0 110.977 175.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.89 -27.38 66.61 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 118.59 -0.719 . . . . 0.0 111.446 -176.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.6 mt -70.46 -44.47 77.14 Favored 'Isoleucine or valine' 0 C--N 1.34 0.187 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 169.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.39 -52.49 23.47 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 110.3 -1.12 . . . . 0.0 110.3 174.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.1 mm -58.8 -63.42 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-O 118.373 -0.822 . . . . 0.0 109.845 176.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -32.35 -68.36 0.1 Allowed 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 125.643 1.577 . . . . 0.0 109.693 174.444 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . 0.273 0.1 OUTLIER -88.93 10.89 19.74 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -171.245 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.9 ttmt -62.67 -43.82 97.83 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 104.606 -2.368 . . . . 0.0 104.606 163.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.45 ' CZ ' ' HA ' ' A' ' 37' ' ' LEU . 63.4 m-85 -75.74 73.02 2.7 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 124.976 1.311 . . . . 0.0 109.464 177.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 39.7 m -121.08 34.15 5.31 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.692 1.197 . . . . 0.0 109.557 170.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.84 50.06 3.81 Favored Glycine 0 CA--C 1.528 0.9 0 N-CA-C 111.487 -0.645 . . . . 0.0 111.487 -175.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -157.57 -86.0 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 104.323 -2.473 . . . . 0.0 104.323 173.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.48 -60.84 1.45 Allowed 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 126.323 1.849 . . . . 0.0 107.822 167.411 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.37 -56.89 1.18 Allowed Glycine 0 CA--C 1.532 1.131 0 C-N-CA 125.56 1.552 . . . . 0.0 112.652 179.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.42 ' CG ' ' H ' ' A' ' 26' ' ' LYS . 34.6 t70 48.18 -129.93 1.74 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.32 1.448 . . . . 0.0 108.772 -178.189 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.42 ' H ' ' CG ' ' A' ' 25' ' ' ASP . 1.2 ptpp? -114.7 27.8 9.18 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 124.265 1.026 . . . . 0.0 108.293 169.584 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -86.87 -156.64 0.33 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 121.538 -0.726 . . . . 0.0 109.308 178.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.4 p -68.63 -168.65 0.13 Allowed 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 127.88 2.472 . . . . 0.0 109.853 174.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 92.3 mt -116.03 115.5 26.23 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 104.827 -2.286 . . . . 0.0 104.827 167.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.6 172.27 8.88 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 177.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -44.91 -52.94 8.15 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.18 0.592 . . . . 0.0 111.264 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -56.89 -57.35 12.89 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 119.193 -0.432 . . . . 0.0 110.228 -177.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -49.7 -42.33 45.5 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 119.101 -0.476 . . . . 0.0 111.648 174.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -65.99 -47.41 74.6 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 119.079 0.854 . . . . 0.0 110.213 -177.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -58.73 -44.47 90.46 Favored 'General case' 0 CA--C 1.529 0.15 0 O-C-N 120.976 -1.078 . . . . 0.0 109.338 176.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -54.72 -41.97 70.98 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 122.825 0.45 . . . . 0.0 111.141 176.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.45 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 6.2 tt -54.7 -27.62 41.86 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 125.833 1.653 . . . . 0.0 113.177 176.61 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.3 tt -63.9 -16.35 18.48 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 175.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -41.68 -85.96 0.0 OUTLIER 'General case' 0 C--N 1.345 0.38 0 C-N-CA 126.504 1.922 . . . . 0.0 111.825 176.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.7 tptp -95.18 -66.38 0.92 Allowed 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 114.781 1.4 . . . . 0.0 114.781 -167.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 48.4 mp0 -68.43 -18.82 64.52 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 -163.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.76 -16.96 59.33 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 118.425 -0.797 . . . . 0.0 111.738 171.304 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.7 m 38.73 44.95 0.86 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.84 1.656 . . . . 0.0 111.887 171.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.1 pp -79.46 -23.2 12.29 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -168.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.54 -70.62 0.37 Allowed Glycine 0 CA--C 1.531 1.066 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 -172.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.8 m -156.86 66.26 0.53 Allowed 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 126.302 1.841 . . . . 0.0 106.736 172.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 45.8 mttm 41.11 47.8 2.85 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.784 1.634 . . . . 0.0 110.978 -171.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 54.5 tp 61.15 -68.95 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 126.092 1.757 . . . . 0.0 111.047 -169.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.95 82.5 1.87 Allowed 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 125.545 1.538 . . . . 0.0 107.525 174.273 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -47.4 148.34 1.37 Allowed 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 122.082 0.944 . . . . 0.0 112.598 177.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -171.25 149.95 2.88 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 130.639 3.576 . . . . 0.0 104.11 176.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -55.6 -41.91 74.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 119.623 1.102 . . . . 0.0 110.027 -173.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.0 mp -52.97 -48.34 52.04 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 123.874 0.87 . . . . 0.0 109.753 171.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 75.6 t -66.92 -36.49 77.3 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -177.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.8 mtmm -58.92 -58.62 7.84 Favored 'General case' 0 C--N 1.34 0.157 0 CA-C-N 118.749 0.704 . . . . 0.0 109.834 172.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.5 mp -49.23 -46.61 46.18 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 122.875 0.47 . . . . 0.0 110.863 179.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 57.2 mtt -58.0 -68.58 0.23 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 119.003 -0.522 . . . . 0.0 111.171 175.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.448 ' C ' ' H ' ' A' ' 60' ' ' LEU . 12.1 t70 -71.17 -16.8 62.55 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 -168.11 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.34 32.66 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 163.213 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.448 ' H ' ' C ' ' A' ' 58' ' ' ASP . 45.7 tp -52.02 -26.15 10.12 Favored 'General case' 0 C--N 1.344 0.335 0 C-N-CA 129.022 2.929 . . . . 0.0 112.686 -169.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -45.58 -30.43 1.48 Allowed 'General case' 0 C--O 1.236 0.375 0 C-N-CA 124.508 1.123 . . . . 0.0 110.998 167.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.2 ttp85 -33.51 -38.02 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.523 1.929 . . . . 0.0 112.891 167.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -38.71 -40.62 0.62 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.677 1.591 . . . . 0.0 114.503 -179.064 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -127.06 44.77 2.84 Favored 'General case' 0 CA--C 1.529 0.136 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.2 t0 40.92 55.33 3.11 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 125.219 1.408 . . . . 0.0 112.579 -170.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 74.35 -24.68 0.21 Allowed 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 116.554 2.057 . . . . 0.0 116.554 163.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.72 114.76 5.24 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 167.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 t -122.23 143.91 33.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 C-N-CA 124.433 1.093 . . . . 0.0 113.346 -167.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -106.25 175.07 5.62 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.452 1.501 . . . . 0.0 110.774 168.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -50.0 -52.24 35.49 Favored 'General case' 0 C--N 1.344 0.329 0 C-N-CA 122.791 0.436 . . . . 0.0 110.769 -178.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.1 tm0? -55.72 -52.1 65.07 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 -173.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -57.76 -56.0 27.6 Favored 'General case' 0 C--O 1.233 0.195 0 O-C-N 122.074 -0.391 . . . . 0.0 111.521 177.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -44.5 -57.83 3.35 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 123.994 0.918 . . . . 0.0 109.255 178.203 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.5 tp -75.03 -24.93 18.08 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.998 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.569 -170.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 93.7 m -63.71 -44.17 94.41 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 119.609 1.095 . . . . 0.0 109.403 169.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.18 -49.9 75.43 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 119.115 -0.469 . . . . 0.0 110.603 178.14 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.8 mp -56.31 -51.6 67.62 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 119.845 -0.742 . . . . 0.0 109.656 168.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -40.23 -51.49 3.58 Favored Glycine 0 C--N 1.336 0.528 0 C-N-CA 128.055 2.741 . . . . 0.0 112.851 -178.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.84 -37.36 68.6 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 117.477 0.638 . . . . 0.0 112.015 -177.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 73.7 mt -90.81 -25.02 20.13 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.806 0.842 . . . . 0.0 111.724 179.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -37.18 -59.3 0.74 Allowed 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 126.757 2.023 . . . . 0.0 114.688 -167.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 2.6 mtp -67.21 -14.61 63.07 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 119.913 -0.715 . . . . 0.0 112.783 -172.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 42.7 mm -91.33 -67.81 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 C-N-CA 124.399 1.08 . . . . 0.0 109.803 169.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.409 ' O ' ' CG ' ' A' ' 84' ' ' TYR 0.27 0.0 OUTLIER -78.32 30.89 0.18 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.088 1.755 . . . . 0.0 114.211 -168.876 . . . . . . . . 4 4 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -20.09 -4.32 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.752 2 N-CA-C 125.31 5.3 . . . . 0.0 125.31 -160.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -72.58 72.18 1.0 Allowed 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 123.43 2.832 . . . . 0.0 106.367 164.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -172.86 -29.84 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 127.518 2.327 . . . . 0.0 109.159 -168.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.4 ' HA ' ' CZ ' ' B' ' 70' ' ' PHE . 9.8 mp -47.62 -17.98 0.12 Allowed 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 125.226 1.41 . . . . 0.0 113.419 168.432 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.0 55.0 1.18 Allowed 'General case' 0 CA--C 1.529 0.148 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 167.423 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.269 2.325 0 N-CA-C 111.855 -0.498 . . . . 0.0 111.855 169.957 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 84.9 mtp . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -160.47 152.6 20.32 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 106.093 -1.817 . . . . 0.0 106.093 176.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 42.8 m -94.35 152.98 40.55 Favored Pre-proline 0 CA--C 1.535 0.369 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 173.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_exo -47.47 -57.69 2.17 Favored 'Trans proline' 0 CA--C 1.536 0.613 0 C-N-CA 122.871 2.381 . . . . 0.0 114.458 -173.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 61.3 tp -59.35 -50.06 75.42 Favored 'General case' 0 C--O 1.225 -0.193 0 C-N-CA 122.575 0.35 . . . . 0.0 110.429 -178.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.56 -55.71 12.5 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.177 1.791 . . . . 0.0 110.997 175.552 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.23 -51.62 66.0 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.476 0.711 . . . . 0.0 109.525 178.078 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.9 -42.92 98.97 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.886 -0.509 . . . . 0.0 112.312 -178.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 5.1 mm -51.43 -51.71 23.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 171.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.71 -55.35 9.72 Favored Glycine 0 CA--C 1.529 0.957 0 C-N-CA 123.852 0.739 . . . . 0.0 111.561 170.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 85.7 mt -55.84 -44.8 78.33 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.324 1.062 . . . . 0.0 112.52 -177.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.32 -31.02 63.75 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 119.781 1.173 . . . . 0.0 112.228 -169.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 4.3 tt -77.51 -37.82 25.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 118.862 0.755 . . . . 0.0 109.702 168.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -44.15 -66.13 1.43 Allowed Glycine 0 CA--C 1.528 0.847 0 C-N-CA 125.661 1.6 . . . . 0.0 111.183 173.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 87.2 mt -54.06 -63.3 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 125.602 1.561 . . . . 0.0 109.16 178.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . 0.504 ' CE1' ' CE1' ' B' ' 17' ' ' HIS . 15.4 t80 -29.79 -53.79 0.15 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.654 1.982 . . . . 0.0 113.188 172.188 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . 0.504 ' CE1' ' CE1' ' B' ' 16' ' ' PHE . 1.3 m-70 -84.3 -47.2 11.0 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 119.716 1.144 . . . . 0.0 113.56 178.332 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -52.96 -30.23 33.56 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 124.757 1.223 . . . . 0.0 112.041 -179.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -60.26 -32.87 71.57 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 118.125 -0.94 . . . . 0.0 111.706 177.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 72.1 m -79.55 22.27 0.46 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.744 0.818 . . . . 0.0 112.576 170.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.48 -34.26 84.79 Favored Glycine 0 CA--C 1.532 1.154 0 N-CA-C 110.176 -1.17 . . . . 0.0 110.176 168.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.88 147.31 23.83 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 104.787 -2.301 . . . . 0.0 104.787 167.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 74.7 -47.63 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 126.702 2.001 . . . . 0.0 110.472 -166.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.17 67.95 0.95 Allowed Glycine 0 CA--C 1.523 0.548 0 C-N-CA 123.777 0.703 . . . . 0.0 111.488 169.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . 0.445 ' CG ' ' H ' ' B' ' 26' ' ' LYS 0.615 3.2 t70 -105.57 -170.66 1.78 Allowed 'General case' 0 C--N 1.341 0.237 0 N-CA-C 115.499 1.666 . . . . 0.0 115.499 169.893 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.445 ' H ' ' CG ' ' B' ' 25' ' ' ASP . 1.3 ptpp? -174.46 -36.6 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 124.178 0.991 . . . . 0.0 111.007 -160.746 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -104.65 -21.25 13.43 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.927 0.891 . . . . 0.0 111.1 -177.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -131.38 -177.23 4.31 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 126.339 1.855 . . . . 0.0 110.257 -178.623 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -116.43 124.44 50.01 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 106.118 -1.808 . . . . 0.0 106.118 169.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 69.4 m -80.61 70.27 7.29 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 124.891 1.276 . . . . 0.0 114.346 -166.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . 0.261 0.0 OUTLIER 27.62 -68.97 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 129.119 2.968 . . . . 0.0 116.87 168.445 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -50.51 -43.42 55.78 Favored 'General case' 0 N--CA 1.455 -0.189 0 O-C-N 120.784 -1.198 . . . . 0.0 110.15 174.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -66.29 -26.47 67.34 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 122.018 -0.426 . . . . 0.0 111.731 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -56.91 -35.56 69.15 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 171.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 46.2 mttm -68.0 -22.77 64.98 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 122.797 0.439 . . . . 0.0 111.437 179.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -76.1 -57.96 3.56 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 169.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -47.14 -49.09 22.9 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 127.226 2.21 . . . . 0.0 110.868 -173.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 3.2 tt -59.43 -51.97 66.4 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.15 0 C-N-CA 123.444 0.698 . . . . 0.0 111.29 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -65.02 -41.88 94.89 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -174.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -90.9 -97.64 0.11 Allowed 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 123.04 0.536 . . . . 0.0 111.738 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 27.7 mp0 -47.41 -41.91 21.05 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 126.446 1.899 . . . . 0.0 114.464 -167.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 21.0 mt -69.9 28.05 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 116.0 1.852 . . . . 0.0 116.0 -174.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 2.2 m 89.18 -19.56 0.18 Allowed 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 124.438 1.095 . . . . 0.0 112.401 169.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 18.3 mt -58.85 -44.06 89.72 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 168.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.94 -58.12 3.1 Favored Glycine 0 C--N 1.343 0.93 0 C-N-CA 123.919 0.771 . . . . 0.0 111.537 177.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 41.3 p -166.38 -62.1 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 105.824 -1.917 . . . . 0.0 105.824 172.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 75.03 -56.63 0.62 Allowed 'General case' 0 C--O 1.231 0.109 0 C-N-CA 128.836 2.854 . . . . 0.0 110.049 170.4 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 3.1 mp 58.45 109.87 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 127.146 2.178 . . . . 0.0 111.011 -179.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 68.43 78.32 0.23 Allowed 'General case' 0 C--O 1.236 0.354 0 C-N-CA 123.728 0.811 . . . . 0.0 108.897 -170.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.99 -96.62 0.25 Allowed 'General case' 0 N--CA 1.461 0.094 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 169.271 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -138.03 75.99 1.55 Allowed 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 104.297 -2.483 . . . . 0.0 104.297 171.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -49.54 -37.98 29.12 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.872 1.269 . . . . 0.0 111.253 -174.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 40.4 mm -54.31 -47.49 68.87 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 123.022 0.529 . . . . 0.0 110.703 173.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 60.3 t -71.32 -49.36 48.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 -178.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -51.88 -41.5 61.96 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.969 -0.457 . . . . 0.0 111.165 178.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 57.3 tp -64.78 -24.92 67.7 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.406 1.082 . . . . 0.0 112.152 178.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 71.4 mtp -87.4 -59.92 2.12 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.879 1.271 . . . . 0.0 109.96 177.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . 0.456 ' C ' ' H ' ' B' ' 60' ' ' LEU . 2.5 m-20 -70.61 15.14 0.1 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 126.993 2.117 . . . . 0.0 115.687 -172.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -66.55 29.68 0.02 OUTLIER 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 129.028 2.931 . . . . 0.0 109.274 162.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.456 ' H ' ' C ' ' B' ' 58' ' ' ASP . 46.6 tp -47.38 -18.68 0.12 Allowed 'General case' 0 C--N 1.345 0.395 1 C-N-CA 133.245 4.618 . . . . 0.0 113.658 -168.052 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -46.8 -28.1 1.43 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 121.201 0.524 . . . . 0.0 111.066 167.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -62.29 5.15 0.11 Allowed 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 115.637 1.717 . . . . 0.0 115.637 173.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -62.99 25.28 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 116.467 2.025 . . . . 0.0 116.467 -172.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 73.67 -60.2 0.54 Allowed 'General case' 0 C--O 1.234 0.245 0 C-N-CA 126.673 1.989 . . . . 0.0 110.641 -177.696 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -78.47 59.9 2.5 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 125.474 1.509 . . . . 0.0 108.781 178.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -66.52 -175.02 0.34 Allowed 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 126.886 2.074 . . . . 0.0 111.172 178.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 62.06 55.67 2.45 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 104.689 -2.337 . . . . 0.0 104.689 -167.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 11.7 m -59.8 143.07 14.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-N 114.672 -1.149 . . . . 0.0 113.855 -166.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -88.27 166.67 14.16 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.436 1.094 . . . . 0.0 109.492 171.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.4 ' CZ ' ' HA ' ' A' ' 88' ' ' LEU . 3.8 t80 -47.68 -38.17 14.5 Favored 'General case' 0 C--O 1.222 -0.358 0 C-N-CA 123.627 0.771 . . . . 0.0 111.217 171.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -44.71 -57.26 3.8 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.614 0.765 . . . . 0.0 111.127 169.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.31 -47.09 68.51 Favored 'General case' 0 CA--C 1.531 0.212 0 O-C-N 120.874 -1.141 . . . . 0.0 109.529 -175.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -47.02 -52.78 14.04 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.757 0.823 . . . . 0.0 111.318 176.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 10.4 tp -71.32 -40.98 74.12 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 O-C-N 122.231 -0.293 . . . . 0.0 110.68 -171.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 34.3 p -66.59 -46.91 74.41 Favored 'General case' 0 CA--C 1.51 -0.568 0 O-C-N 121.517 -0.739 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -48.86 -53.92 17.41 Favored 'General case' 0 N--CA 1.44 -0.927 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.695 168.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 5.3 mt -54.98 -38.58 68.01 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 118.248 0.477 . . . . 0.0 112.158 174.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.81 -51.04 61.42 Favored Glycine 0 CA--C 1.527 0.842 0 O-C-N 121.768 -0.582 . . . . 0.0 112.063 173.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.29 -50.35 71.65 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 122.752 0.421 . . . . 0.0 110.302 175.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 73.0 mt -52.13 -50.71 61.17 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-O 119.16 -0.448 . . . . 0.0 110.353 174.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.61 -55.74 26.28 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.326 0.651 . . . . 0.0 110.377 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 37.5 mmm -48.34 -37.31 16.32 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.073 0.549 . . . . 0.0 111.375 175.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 73.2 mt -78.39 -80.31 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 C-N-CA 123.112 0.565 . . . . 0.0 111.372 175.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . 0.282 0.0 OUTLIER -69.55 -21.54 63.62 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 120.808 -1.182 . . . . 0.0 114.11 -168.599 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.37 24.22 4.04 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.049 1.34 . . . . 0.0 111.005 172.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -18.16 -45.31 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 130.119 3.368 . . . . 0.0 117.22 -173.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -43.45 -31.17 0.65 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 126.164 1.786 . . . . 0.0 112.756 174.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -39.14 -38.17 0.46 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.775 1.63 . . . . 0.0 113.203 169.593 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 7.4 mmtm -127.26 -44.42 1.58 Allowed 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 126.17 1.788 . . . . 0.0 111.223 -176.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.269 2.341 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -175.248 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.8 ppp? . . . . . 0 CA--C 1.535 0.402 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -159.73 168.67 25.38 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 106.057 -1.831 . . . . 0.0 106.057 175.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.7 168.94 23.26 Favored Pre-proline 0 CA--C 1.542 0.641 0 C-N-CA 123.574 0.75 . . . . 0.0 111.047 -171.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -47.03 -57.36 2.35 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 123.516 2.811 . . . . 0.0 114.985 -178.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.5 mt -64.75 -42.64 95.01 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 118.868 0.758 . . . . 0.0 110.612 -178.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -46.68 -53.48 11.59 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.417 1.487 . . . . 0.0 109.353 174.432 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -60.2 -53.17 60.84 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.311 174.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -47.98 -46.67 32.82 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.165 0.986 . . . . 0.0 112.06 -176.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 61.3 mt -49.28 -58.83 1.12 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.289 0 C-N-CA 123.824 0.85 . . . . 0.0 109.927 177.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.67 -45.77 92.94 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.544 -1.023 . . . . 0.0 110.544 178.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 80.9 mt -57.98 -53.35 59.2 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-O 117.869 -1.062 . . . . 0.0 111.541 -177.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -49.59 -51.07 39.85 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 120.977 1.717 . . . . 0.0 110.848 178.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 86.5 mt -57.06 -54.28 32.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 CA-C-N 118.617 0.644 . . . . 0.0 111.415 175.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.83 -58.74 12.94 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 -176.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 75.0 mt -47.27 -58.97 0.77 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.513 0 C-N-CA 126.363 1.865 . . . . 0.0 108.794 173.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -40.91 -60.54 1.16 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.382 1.073 . . . . 0.0 111.854 173.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -70.1 -35.59 74.26 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 120.955 -1.091 . . . . 0.0 113.137 -175.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.5 tptp -65.35 -38.79 91.17 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 121.397 -0.814 . . . . 0.0 110.75 176.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -78.77 -21.05 48.46 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 124.35 1.06 . . . . 0.0 109.232 -178.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.8 p -75.64 64.88 1.75 Allowed 'General case' 0 C--N 1.34 0.179 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 163.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.19 -53.98 38.86 Favored Glycine 0 C--N 1.339 0.721 0 N-CA-C 107.673 -2.171 . . . . 0.0 107.673 176.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? 20.33 83.9 0.01 OUTLIER 'General case' 0 C--N 1.342 0.257 0 C-N-CA 127.903 2.481 . . . . 0.0 111.535 168.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -0.19 -88.49 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 127.092 2.157 . . . . 0.0 114.947 -174.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.49 -93.17 0.07 OUTLIER Glycine 0 CA--C 1.528 0.877 0 C-N-CA 124.518 1.056 . . . . 0.0 111.632 -174.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -60.53 154.43 20.92 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.219 0.608 . . . . 0.0 110.489 -172.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.74 43.26 2.81 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 122.566 1.174 . . . . 0.0 111.044 -168.074 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -133.78 179.12 6.43 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 105.11 -2.182 . . . . 0.0 105.11 167.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.8 p 56.69 106.04 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.353 1.461 . . . . 0.0 112.13 -176.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.0 tt -65.77 130.97 45.15 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 128.071 2.548 . . . . 0.0 110.484 -169.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.3 m -70.96 122.64 20.36 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 121.604 0.716 . . . . 0.0 110.108 -178.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -31.52 55.6 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.285 1.434 . . . . 0.0 114.103 -174.164 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.1 ttpp -67.03 -60.45 2.62 Favored 'General case' 0 CA--C 1.528 0.113 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 174.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -48.53 -42.31 32.86 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.888 1.275 . . . . 0.0 109.984 177.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.8 tp -47.05 -44.38 20.75 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.786 -0.571 . . . . 0.0 112.283 174.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.424 ' HZ1' ' CG ' ' A' ' 58' ' ' ASP . 48.5 tptt -62.47 -34.29 76.54 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 118.409 0.55 . . . . 0.0 110.944 -176.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 68.9 tt0 -64.49 -52.61 57.03 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 171.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 tt -48.52 -55.46 10.97 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 125.733 1.613 . . . . 0.0 111.35 -174.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.21 -45.25 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.026 0 O-C-N 122.126 -0.359 . . . . 0.0 111.1 -177.18 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -63.33 -53.47 52.16 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 119.186 -0.435 . . . . 0.0 110.617 -177.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.408 ' NZ ' ' OE2' ' A' ' 41' ' ' GLU 0.252 0.0 OUTLIER -92.02 -84.88 0.26 Allowed 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 179.139 . . . . . . . . 4 4 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.408 ' OE2' ' NZ ' ' A' ' 40' ' ' LYS . 17.4 mp0 -46.45 -45.2 18.02 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 115.878 1.807 . . . . 0.0 115.878 -168.37 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.0 mt -62.13 -16.14 50.52 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 120.25 1.386 . . . . 0.0 112.575 -179.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 15.4 m 62.18 57.73 1.95 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.963 0.801 . . . . 0.0 110.946 169.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.8 mm -63.38 -47.64 90.94 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 169.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 52.67 -101.34 0.07 OUTLIER Glycine 0 C--N 1.341 0.847 0 N-CA-C 109.014 -1.634 . . . . 0.0 109.014 -174.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.4 m -151.52 32.02 0.58 Allowed 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.225 0.61 . . . . 0.0 109.441 168.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 39.7 tttt -67.8 -42.75 81.08 Favored 'General case' 0 C--N 1.344 0.357 0 N-CA-C 107.386 -1.338 . . . . 0.0 107.386 175.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.7 tp -83.02 127.11 33.26 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 104.177 -2.527 . . . . 0.0 104.177 165.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -82.94 52.66 2.21 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.154 0.581 . . . . 0.0 110.377 -174.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -152.22 -176.88 5.86 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.535 1.534 . . . . 0.0 107.33 169.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -174.46 -46.43 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 128.423 2.689 . . . . 0.0 106.256 -176.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -64.29 -45.56 87.46 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 124.576 1.15 . . . . 0.0 113.482 -172.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.2 pt -75.27 -38.32 40.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.578 0 CA-C-N 120.885 1.675 . . . . 0.0 109.175 172.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 43.0 t -51.07 -51.25 22.29 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 C-N-CA 123.003 0.521 . . . . 0.0 110.531 -178.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.5 ptpt -67.98 -12.85 61.54 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -174.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 62.5 tp -91.85 -44.72 8.77 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.649 0.78 . . . . 0.0 109.834 171.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 28.2 ttt -72.42 -43.74 63.43 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 122.981 0.512 . . . . 0.0 111.201 -172.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.424 ' CG ' ' HZ1' ' A' ' 35' ' ' LYS . 45.8 p-10 -35.12 -52.26 0.57 Allowed 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 127.243 2.217 . . . . 0.0 114.203 -173.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -51.49 -19.87 1.62 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.113 1.365 . . . . 0.0 113.309 -176.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.5 tt -41.85 -41.34 2.37 Favored 'General case' 0 C--O 1.231 0.129 0 C-N-CA 125.6 1.56 . . . . 0.0 111.263 169.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -52.88 -45.55 67.54 Favored 'General case' 0 C--O 1.227 -0.127 0 O-C-N 122.179 -0.326 . . . . 0.0 110.793 177.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.81 23.0 3.3 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.447 0.699 . . . . 0.0 112.412 178.45 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -26.14 -85.0 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 127.028 2.131 . . . . 0.0 113.552 -169.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.45 44.65 1.14 Allowed 'General case' 0 C--O 1.233 0.225 0 CA-C-N 120.028 1.285 . . . . 0.0 112.16 -177.492 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 61.08 27.93 17.71 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 123.916 0.886 . . . . 0.0 111.094 168.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 10.0 pm0 -74.32 161.77 29.55 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 122.937 0.495 . . . . 0.0 109.761 178.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.33 95.45 6.36 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 106.507 -1.664 . . . . 0.0 106.507 177.283 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.1 t -61.51 114.61 1.34 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 C-N-CA 124.985 1.314 . . . . 0.0 111.995 -167.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -73.36 157.93 36.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 120.961 -1.087 . . . . 0.0 110.284 178.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -50.81 -35.9 34.53 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 119.065 -0.493 . . . . 0.0 109.791 170.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -52.55 -56.17 17.14 Favored 'General case' 0 C--N 1.342 0.265 0 CA-C-N 118.79 0.723 . . . . 0.0 111.692 171.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -63.24 -54.63 34.25 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 -174.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -41.54 -51.38 3.92 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.148 1.379 . . . . 0.0 110.593 170.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -64.03 -46.82 92.79 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 C-N-CA 122.756 0.423 . . . . 0.0 111.414 178.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 54.7 m -58.19 -46.79 85.16 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -175.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -56.39 -62.76 1.5 Allowed 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 125.494 1.517 . . . . 0.0 112.106 173.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.59 -37.06 70.1 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 122.41 1.1 . . . . 0.0 109.013 -177.04 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.66 -30.73 21.28 Favored Glycine 0 CA--C 1.528 0.885 0 C-N-CA 127.56 2.505 . . . . 0.0 113.738 172.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.33 -25.82 67.39 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 120.694 2.247 . . . . 0.0 112.694 175.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -89.76 1.31 56.27 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.658 0.783 . . . . 0.0 110.751 175.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -44.77 -76.02 0.03 OUTLIER 'General case' 0 CA--C 1.512 -0.502 0 C-N-CA 125.421 1.488 . . . . 0.0 113.951 -168.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 92.5 mtp -64.53 -11.74 37.39 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 119.655 -0.818 . . . . 0.0 112.725 -168.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 59.1 mt -77.75 -64.52 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 169.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . 0.356 0.0 OUTLIER -90.59 26.91 1.87 Allowed 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 114.755 1.391 . . . . 0.0 114.755 -177.67 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -28.12 -56.96 0.12 Allowed 'General case' 0 CA--C 1.52 -0.201 0 C-N-CA 127.984 2.514 . . . . 0.0 115.749 -167.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.3 pm0 -49.77 -31.23 11.07 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 125.731 1.612 . . . . 0.0 114.079 -178.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.56 -17.34 64.5 Favored 'General case' 0 N--CA 1.449 -0.486 0 O-C-N 121.745 -0.597 . . . . 0.0 112.589 177.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 49.7 mt -68.75 -50.87 47.01 Favored 'General case' 0 C--N 1.342 0.244 0 N-CA-C 115.075 1.509 . . . . 0.0 115.075 -166.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.92 ' O ' ' OXT' ' A' ' 90' ' ' GLY 0.267 17.2 pttp -158.17 64.67 0.45 Allowed 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 121.159 1.8 . . . . 0.0 114.748 177.846 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.92 ' OXT' ' O ' ' A' ' 89' ' ' LYS . . . . . . . . 0 C--O 1.27 2.365 0 N-CA-C 111.647 -0.581 . . . . 0.0 111.647 175.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 94.9 mmm . . . . . 0 N--CA 1.451 -0.379 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -167.38 174.07 8.31 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 126.402 1.881 . . . . 0.0 105.971 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.82 173.67 6.77 Favored Pre-proline 0 CA--C 1.539 0.54 0 C-N-CA 123.595 0.758 . . . . 0.0 109.189 -177.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -49.6 -62.37 0.43 Allowed 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 122.715 2.277 . . . . 0.0 114.381 -169.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 85.2 mt -65.94 -50.89 62.79 Favored 'General case' 0 CA--C 1.53 0.173 0 O-C-N 122.097 -0.377 . . . . 0.0 110.95 -173.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.73 -53.49 47.15 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 125.769 1.627 . . . . 0.0 110.643 177.239 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -58.94 -48.49 81.31 Favored 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 122.981 0.512 . . . . 0.0 110.336 176.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.97 -55.31 32.15 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 122.989 0.516 . . . . 0.0 110.727 -179.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 83.2 mt -53.29 -52.0 35.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 C-N-CA 123.934 0.894 . . . . 0.0 109.294 175.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.75 -46.49 13.45 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 123.852 0.739 . . . . 0.0 111.564 174.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 49.7 tp -68.0 -13.26 62.04 Favored 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 121.542 -0.975 . . . . 0.0 113.112 -175.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 mp -89.32 -71.1 0.62 Allowed 'General case' 0 N--CA 1.449 -0.517 0 O-C-N 121.136 -0.978 . . . . 0.0 108.624 167.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -89.4 -33.73 6.33 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.579 0 CA-C-N 114.408 -1.269 . . . . 0.0 112.285 -164.562 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.03 -52.13 52.2 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 108.025 -2.03 . . . . 0.0 108.025 176.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 2.6 tt -64.87 -45.48 94.76 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.453 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . 0.596 ' CE1' ' CE1' ' B' ' 17' ' ' HIS . 0.2 OUTLIER -40.01 -72.71 0.06 Allowed 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 119.503 1.047 . . . . 0.0 109.19 168.246 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . 0.596 ' CE1' ' CE1' ' B' ' 16' ' ' PHE 0.286 26.6 m-70 -82.15 20.01 1.09 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 118.472 -1.291 . . . . 0.0 112.072 -169.281 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -64.07 -43.2 96.19 Favored 'General case' 0 C--N 1.342 0.281 0 N-CA-C 104.046 -2.575 . . . . 0.0 104.046 162.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -77.62 61.36 2.34 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 125.463 1.505 . . . . 0.0 112.897 -168.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.8 p -108.19 -34.36 6.87 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 127.445 2.298 . . . . 0.0 106.911 166.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 79.88 -54.09 4.4 Favored Glycine 0 CA--C 1.526 0.769 0 C-N-CA 124.322 0.963 . . . . 0.0 110.967 171.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.08 -11.75 59.74 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.084 1.354 . . . . 0.0 110.565 171.314 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . 0.304 24.2 mm-40 68.93 -42.16 0.48 Allowed 'General case' 0 C--N 1.34 0.179 0 C-N-CA 127.334 2.254 . . . . 0.0 116.627 171.318 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.61 -48.35 61.26 Favored Glycine 0 CA--C 1.532 1.105 0 N-CA-C 110.056 -1.217 . . . . 0.0 110.056 169.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -83.24 61.78 6.3 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 122.171 0.986 . . . . 0.0 112.1 -169.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -65.56 105.06 1.12 Allowed 'General case' 0 CA--C 1.534 0.347 0 O-C-N 121.485 -0.759 . . . . 0.0 110.755 173.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -161.33 -141.89 0.07 Allowed 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.547 0.739 . . . . 0.0 109.698 178.377 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 5.2 p -52.43 158.58 1.19 Allowed 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 125.791 1.637 . . . . 0.0 110.982 171.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.2 mp -80.23 95.96 6.45 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 106.002 -1.851 . . . . 0.0 106.002 169.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 29.4 m -74.51 65.85 1.32 Allowed 'General case' 0 C--O 1.238 0.498 0 N-CA-C 114.487 1.291 . . . . 0.0 114.487 -168.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 3.1 mttm 66.54 -71.24 0.09 Allowed 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 127.037 2.135 . . . . 0.0 111.619 174.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 17.0 mtmm -56.27 -53.64 54.87 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 124.514 1.126 . . . . 0.0 108.89 -172.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 21.6 mp0 -61.88 -32.68 73.07 Favored 'General case' 0 N--CA 1.438 -1.062 0 C-N-CA 125.493 1.517 . . . . 0.0 109.748 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 12.3 tp -66.86 -46.03 76.29 Favored 'General case' 0 C--N 1.341 0.209 0 O-C-N 120.706 -1.246 . . . . 0.0 109.82 173.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 43.7 mmtt -62.96 -22.35 66.75 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 119.969 -0.693 . . . . 0.0 110.729 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -65.06 -55.72 17.24 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 166.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.2 tt -47.9 -52.16 20.45 Favored 'General case' 0 CA--C 1.513 -0.476 0 C-N-CA 125.657 1.583 . . . . 0.0 111.673 -175.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 15.4 pt -52.98 -34.24 20.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 O-C-N 123.63 0.581 . . . . 0.0 112.253 -171.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 12.2 tp-100 -64.42 -28.27 69.57 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.912 -0.492 . . . . 0.0 111.544 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -90.83 -76.24 0.44 Allowed 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 124.265 1.026 . . . . 0.0 112.616 -173.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . 0.294 12.0 pt-20 -92.59 -82.4 0.33 Allowed 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 116.915 2.191 . . . . 0.0 116.915 -167.158 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . 0.427 ' CD1' ' H ' ' B' ' 43' ' ' THR 0.448 1.7 pp -29.16 -94.93 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 118.331 2.715 . . . . 0.0 118.331 -162.781 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' THR . . . . . 0.427 ' H ' ' CD1' ' B' ' 42' ' ' LEU . 14.9 p -75.5 63.92 1.55 Allowed 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 120.351 1.432 . . . . 0.0 110.144 -174.04 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . 0.3 7.5 tt 38.35 59.3 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 CA-C-O 123.824 1.773 . . . . 0.0 110.079 -168.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 56.06 34.52 62.24 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 127.197 2.332 . . . . 0.0 113.452 -175.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 57.9 p 43.66 60.89 2.47 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 125.444 1.498 . . . . 0.0 113.303 -174.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 3.2 pttm -147.52 -69.42 0.24 Allowed 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.276 173.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 31.8 tp -69.56 94.21 0.75 Allowed 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.615 -0.678 . . . . 0.0 110.42 -171.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 82.51 22.27 0.22 Allowed 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 127.56 2.344 . . . . 0.0 112.214 -176.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -106.47 168.61 9.05 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 106.036 -1.839 . . . . 0.0 106.036 167.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -166.31 168.81 14.75 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.719 -0.613 . . . . 0.0 109.94 -172.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.41 -45.71 82.9 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 173.242 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 48.3 pt -59.0 -30.12 42.73 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 C-N-CA 123.119 0.568 . . . . 0.0 112.162 174.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 64.4 t -76.93 -52.03 17.67 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.264 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 174.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.18 -37.32 66.9 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 118.781 0.719 . . . . 0.0 111.248 -179.689 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -43.39 -40.58 3.76 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.828 0.851 . . . . 0.0 110.646 171.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 48.9 mtt -86.99 -58.27 2.65 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.713 0.805 . . . . 0.0 110.94 174.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . 0.506 ' C ' ' H ' ' B' ' 60' ' ' LEU . 36.8 t70 -70.74 -4.89 26.1 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 127.173 2.189 . . . . 0.0 116.022 -168.289 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -68.58 26.35 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 161.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.506 ' H ' ' C ' ' B' ' 58' ' ' ASP . 3.6 pp -64.17 -5.97 5.82 Favored 'General case' 0 C--N 1.346 0.445 0 C-N-CA 126.471 1.908 . . . . 0.0 112.681 -168.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -52.77 -24.57 9.1 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 121.965 0.888 . . . . 0.0 109.959 163.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 30.9 ttm180 -48.55 -21.19 0.53 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.973 2.109 . . . . 0.0 112.456 167.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -27.77 -54.0 0.09 Allowed 'General case' 0 C--N 1.34 0.153 0 C-N-CA 129.503 3.121 . . . . 0.0 113.386 175.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 18.4 pttm -134.71 -49.64 0.77 Allowed 'General case' 0 CA--C 1.537 0.469 0 O-C-N 123.195 0.31 . . . . 0.0 111.441 -175.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 50.2 p30 -159.47 0.09 0.08 Allowed 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 -168.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 61.63 12.56 4.63 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 -171.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -86.79 79.25 8.88 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 105.843 -1.91 . . . . 0.0 105.843 168.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 55.9 t -66.69 127.55 28.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.295 -169.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -98.78 174.47 6.38 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.832 1.253 . . . . 0.0 108.988 168.107 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -50.52 -47.52 57.46 Favored 'General case' 0 C--N 1.341 0.208 0 CA-C-O 119.3 -0.381 . . . . 0.0 111.869 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -51.73 64.6 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.255 0.55 . . . . 0.0 110.005 -175.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -60.33 -52.4 65.44 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.56 0.744 . . . . 0.0 110.145 179.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -47.89 -60.83 2.3 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 124.531 1.132 . . . . 0.0 110.413 177.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 10.3 tp -64.45 -43.1 96.93 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 -174.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 29.2 m -51.92 -59.08 4.74 Favored 'General case' 0 C--N 1.34 0.192 0 C-N-CA 122.712 0.405 . . . . 0.0 110.569 178.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -72.1 -37.47 69.53 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 119.61 -0.836 . . . . 0.0 111.553 -173.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . 0.255 0.4 OUTLIER -54.75 -34.41 62.51 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 119.502 -0.879 . . . . 0.0 111.216 171.076 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.14 -37.25 16.74 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 124.63 1.109 . . . . 0.0 114.239 169.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -41.74 -67.29 0.27 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 119.043 1.422 . . . . 0.0 114.233 -169.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 19.2 mt -90.12 5.05 48.5 Favored 'General case' 0 C--N 1.333 -0.139 0 O-C-N 122.13 -0.357 . . . . 0.0 111.861 179.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.76 -46.33 70.91 Favored 'General case' 0 CA--C 1.516 -0.344 0 C-N-CA 123.507 0.723 . . . . 0.0 110.818 -172.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 29.7 ttp -58.95 -31.29 68.57 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.648 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 27.8 mm -79.69 -57.09 5.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 C-N-CA 123.998 0.919 . . . . 0.0 108.989 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -75.72 22.57 0.14 Allowed 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 118.272 -0.871 . . . . 0.0 112.838 -176.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -16.82 -101.68 0.0 OUTLIER 'General case' 0 C--O 1.235 0.31 0 C-N-CA 126.444 1.897 . . . . 0.0 114.812 -157.182 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.98 ' OE1' ' OXT' ' B' ' 90' ' ' GLY 0.261 7.1 tp10 -62.19 123.75 19.0 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 120.938 1.699 . . . . 0.0 110.022 -169.21 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . 136.36 -28.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 1 C-N-CA 132.426 4.29 . . . . 0.0 106.62 -167.22 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.95 -23.57 63.21 Favored 'General case' 0 N--CA 1.445 -0.681 0 O-C-N 121.697 -0.627 . . . . 0.0 111.627 -179.177 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -117.3 -48.28 2.62 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 124.61 1.164 . . . . 0.0 110.057 175.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . 0.98 ' OXT' ' OE1' ' B' ' 86' ' ' GLU . . . . . . . . 0 C--O 1.27 2.391 0 N-CA-C 110.061 -1.216 . . . . 0.0 110.061 177.652 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.7 mtp . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.32 -35.95 10.55 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.911 0.884 . . . . 0.0 108.642 167.87 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.0 p -162.68 160.11 19.79 Favored Pre-proline 0 CA--C 1.535 0.372 0 C-N-CA 125.029 1.332 . . . . 0.0 109.801 179.025 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -55.78 -35.46 93.59 Favored 'Trans proline' 0 N--CA 1.455 -0.769 0 C-N-CA 121.455 1.437 . . . . 0.0 109.953 168.504 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 tt -56.24 -62.82 1.45 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.831 0.852 . . . . 0.0 110.268 174.37 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 1.015 ' OD2' ' OXT' ' B' ' 90' ' ' GLY . 0.0 OUTLIER -55.59 -44.88 77.37 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 118.533 0.606 . . . . 0.0 110.207 -177.403 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -57.57 -44.92 85.67 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 121.254 -0.178 . . . . 0.0 111.083 177.146 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.3 -44.77 88.7 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 118.361 0.528 . . . . 0.0 111.142 176.032 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.4 mm -57.97 -43.16 84.27 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 O-C-N 121.895 -0.503 . . . . 0.0 109.732 174.04 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.63 -50.46 36.53 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 169.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 88.2 mt -57.18 -44.78 83.89 Favored 'General case' 0 CA--C 1.531 0.218 0 O-C-N 121.622 -0.928 . . . . 0.0 110.729 175.743 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.6 -43.93 93.57 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.838 1.199 . . . . 0.0 111.777 177.165 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.0 mm -56.34 -43.42 77.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 172.049 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -52.62 -63.13 5.2 Favored Glycine 0 CA--C 1.528 0.877 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 173.014 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.9 mm -45.87 -49.43 4.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 C-N-CA 124.62 1.168 . . . . 0.0 110.626 -176.574 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.402 ' CZ ' ' CE1' ' A' ' 17' ' ' HIS . 35.7 t80 -53.45 -81.56 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 127.025 2.13 . . . . 0.0 110.835 169.439 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.405 ' ND1' ' OD2' ' A' ' 25' ' ' ASP . 1.9 m-70 -72.2 5.87 2.55 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 115.723 1.749 . . . . 0.0 115.723 -169.608 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -61.89 -41.21 97.61 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 165.196 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -74.15 157.47 35.92 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.583 -178.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.404 ' HG ' ' CB ' ' A' ' 30' ' ' SER . 72.9 m 56.0 31.72 18.53 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 121.474 0.654 . . . . 0.0 110.056 -169.217 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -77.01 55.01 3.51 Favored Glycine 0 C--N 1.34 0.795 0 C-N-CA 126.06 1.79 . . . . 0.0 108.916 169.922 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -123.86 -63.88 1.18 Allowed 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 105.967 -1.864 . . . . 0.0 105.967 172.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.15 -30.09 54.9 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 121.909 0.861 . . . . 0.0 110.306 168.358 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.77 58.29 1.43 Allowed Glycine 0 C--N 1.332 0.33 0 N-CA-C 108.69 -1.764 . . . . 0.0 108.69 178.488 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.405 ' OD2' ' ND1' ' A' ' 17' ' ' HIS . 2.1 t0 -32.82 108.95 0.06 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 127.119 2.167 . . . . 0.0 114.872 -171.728 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -99.91 26.56 6.23 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.478 1.111 . . . . 0.0 110.373 174.04 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.402 ' ND1' ' OD1' ' A' ' 25' ' ' ASP . 0.1 OUTLIER -156.0 -111.08 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 119.328 0.967 . . . . 0.0 112.44 -166.983 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.3 p -95.41 144.86 25.58 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 126.485 1.914 . . . . 0.0 109.369 173.005 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.3 tt -73.92 128.36 35.32 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 126.488 1.915 . . . . 0.0 107.673 176.417 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.404 ' CB ' ' HG ' ' A' ' 20' ' ' SER . 9.0 m -77.61 68.64 3.73 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 114.549 1.315 . . . . 0.0 114.549 -168.473 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp 42.53 -74.91 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 128.25 2.62 . . . . 0.0 115.818 165.337 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -25.43 61.36 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.468 1.107 . . . . 0.0 111.283 175.066 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -73.87 -22.28 59.79 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.115 -0.991 . . . . 0.0 112.13 172.469 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.14 -33.93 77.19 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.416 -0.803 . . . . 0.0 109.416 177.607 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.6 mmtm -52.12 -50.14 62.29 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.939 -0.476 . . . . 0.0 112.107 177.531 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 23.6 mp0 -52.58 -55.93 18.84 Favored 'General case' 0 N--CA 1.451 -0.407 0 O-C-N 121.816 -0.553 . . . . 0.0 111.627 171.477 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.86 -61.93 1.71 Allowed 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 124.271 1.028 . . . . 0.0 110.416 -177.141 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.1 tp -60.29 -47.12 93.6 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 123.413 0.685 . . . . 0.0 111.584 -169.42 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -63.0 -53.01 60.66 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 178.375 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.0 mtmp? -78.51 -71.08 0.45 Allowed 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 113.809 1.041 . . . . 0.0 113.809 -168.731 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -84.45 -99.51 0.06 Allowed 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 -167.38 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . 0.305 3.3 pp -30.71 -52.4 0.17 Allowed 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 116.846 2.165 . . . . 0.0 116.846 -164.873 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.2 p -59.11 105.38 0.32 Allowed 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.068 0.547 . . . . 0.0 111.959 -168.896 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.9 pt 43.14 40.06 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 C-N-CA 124.472 1.109 . . . . 0.0 112.573 -171.506 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 49.78 -131.94 27.4 Favored Glycine 0 CA--C 1.533 1.162 0 CA-C-N 115.172 -0.922 . . . . 0.0 112.475 179.096 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.9 m -69.44 34.97 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 117.307 2.336 . . . . 0.0 117.307 -167.915 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 67.36 100.21 0.05 OUTLIER 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.871 1.268 . . . . 0.0 113.576 168.686 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.9 tt -79.01 62.9 3.55 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 168.331 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.0 tp60 67.4 -6.13 0.67 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.593 1.957 . . . . 0.0 113.846 -177.539 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -80.11 -178.01 6.33 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.62 1.168 . . . . 0.0 112.159 -177.639 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . 0.253 . . 101.29 33.29 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 129.379 3.072 . . . . 0.0 113.905 169.411 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.435 ' CD ' ' H ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -90.79 -106.16 0.1 Allowed 'General case' 0 N--CA 1.438 -1.046 0 C-N-CA 128.573 2.749 . . . . 0.0 103.784 165.926 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -91.29 -26.45 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.979 0 C-N-CA 124.262 1.025 . . . . 0.0 112.692 175.053 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.9 t -64.4 -36.87 78.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-N 120.826 1.648 . . . . 0.0 110.889 -168.631 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.56 -12.66 58.83 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.219 -0.926 . . . . 0.0 112.695 176.435 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.0 tp -65.93 -20.2 66.13 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.054 -1.029 . . . . 0.0 110.404 169.33 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 53.4 ttp -63.7 -60.14 3.69 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 168.537 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.422 ' C ' ' H ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -57.34 -23.75 50.86 Favored 'General case' 0 CA--C 1.52 -0.177 0 C-N-CA 126.938 2.095 . . . . 0.0 113.238 -179.728 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -63.48 9.25 0.06 Allowed 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 122.952 0.501 . . . . 0.0 111.312 167.014 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.422 ' H ' ' C ' ' A' ' 58' ' ' ASP . 1.6 tm? -37.13 -34.61 0.08 Allowed 'General case' 0 C--N 1.347 0.461 1 C-N-CA 132.282 4.233 . . . . 0.0 110.336 163.86 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -34.17 -29.43 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 127.184 2.194 . . . . 0.0 112.76 166.41 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.3 mtm105 -43.41 -21.16 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 168.305 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -28.56 -49.34 0.07 Allowed 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 127.803 2.441 . . . . 0.0 112.995 169.909 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? -130.13 67.46 1.47 Allowed 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 168.819 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.277 3.1 p-10 28.32 47.86 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 128.211 2.604 . . . . 0.0 114.189 173.792 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 55.04 30.32 14.02 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 126.328 1.851 . . . . 0.0 112.921 173.48 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.63 59.29 1.95 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.982 1.313 . . . . 0.0 107.925 175.321 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 53.1 t -84.9 132.12 32.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 N-CA-C 113.296 0.851 . . . . 0.0 113.296 -166.091 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -120.42 178.72 4.55 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 105.105 -2.183 . . . . 0.0 105.105 164.757 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -54.04 -41.27 67.9 Favored 'General case' 0 CA--C 1.53 0.207 0 O-C-N 121.301 -0.874 . . . . 0.0 111.0 -173.88 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.42 -52.44 64.64 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 119.379 -0.343 . . . . 0.0 110.487 178.434 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -64.29 -47.45 79.45 Favored 'General case' 0 CA--C 1.522 -0.125 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 -174.745 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -48.47 -61.41 2.03 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.023 0.929 . . . . 0.0 109.443 175.625 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.7 tp -68.32 -40.76 82.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-O 119.37 -0.347 . . . . 0.0 110.577 -172.655 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.5 m -49.85 -60.31 3.02 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 124.37 1.068 . . . . 0.0 109.886 173.638 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . 0.254 0.1 OUTLIER -60.56 -44.05 96.58 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.064 -177.064 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -46.61 -51.49 15.65 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 118.904 0.775 . . . . 0.0 111.075 170.551 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.59 -53.88 41.62 Favored Glycine 0 CA--C 1.525 0.719 0 C-N-CA 124.384 0.992 . . . . 0.0 111.122 -179.922 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.9 -53.28 57.51 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.055 0.542 . . . . 0.0 110.784 179.476 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.7 mp -54.94 -49.56 71.04 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.542 0.737 . . . . 0.0 110.58 177.212 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.53 -44.47 76.71 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 122.862 0.465 . . . . 0.0 110.194 178.473 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 7.8 ttt -56.9 -22.45 37.39 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 177.642 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 41.4 mm -90.81 -74.43 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 123.718 0.807 . . . . 0.0 109.876 169.266 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . 0.252 1.2 p90 -62.7 -26.76 68.83 Favored 'General case' 0 CA--C 1.536 0.426 0 O-C-N 120.938 -1.101 . . . . 0.0 113.76 -168.637 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -91.54 27.52 1.97 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.011 1.724 . . . . 0.0 111.47 174.528 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -13.51 -58.52 0.0 OUTLIER 'General case' 0 C--N 1.345 0.395 0 C-N-CA 129.668 3.187 . . . . 0.0 116.297 -167.883 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -32.35 -42.41 0.07 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 126.17 1.788 . . . . 0.0 113.079 174.896 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -31.12 -46.38 0.09 Allowed 'General case' 0 C--N 1.342 0.253 0 C-N-CA 126.458 1.903 . . . . 0.0 113.983 171.717 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.9 mtmm -64.09 -35.26 80.18 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 121.659 -0.651 . . . . 0.0 111.999 -174.715 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.411 0 C-N-CA 125.182 1.372 . . . . 0.0 110.08 178.695 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 96.5 mmm . . . . . 0 N--CA 1.451 -0.419 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.67 -169.59 1.59 Allowed 'General case' 0 C--O 1.236 0.345 0 N-CA-C 106.376 -1.713 . . . . 0.0 106.376 179.182 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.36 170.47 15.52 Favored Pre-proline 0 CA--C 1.537 0.449 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.599 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -46.46 -65.9 0.17 Allowed 'Trans proline' 0 CA--C 1.54 0.811 0 C-N-CA 123.254 2.636 . . . . 0.0 115.137 -169.53 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 96.6 mt -64.21 -53.23 52.48 Favored 'General case' 0 CA--C 1.53 0.192 0 O-C-N 121.937 -0.477 . . . . 0.0 110.741 -172.588 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.19 -53.92 18.93 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 126.283 1.833 . . . . 0.0 110.709 176.095 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -56.14 -52.42 64.41 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.759 0.824 . . . . 0.0 110.042 177.02 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.0 -48.45 79.99 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 118.122 0.419 . . . . 0.0 111.629 -177.924 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 72.6 mt -55.7 -53.72 34.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 176.478 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.05 -51.33 25.41 Favored Glycine 0 CA--C 1.528 0.863 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 176.683 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 81.3 mt -63.0 -43.86 97.61 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 118.753 -0.641 . . . . 0.0 111.083 -179.417 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 48.5 mt -57.98 -46.65 84.84 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 120.01 1.277 . . . . 0.0 110.872 177.688 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 67.5 mt -61.74 -41.33 90.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 175.61 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.4 -61.37 7.06 Favored Glycine 0 CA--C 1.526 0.737 0 C-N-CA 124.262 0.934 . . . . 0.0 110.843 174.537 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 20.6 mm -57.26 -35.23 47.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 118.088 0.944 . . . . 0.0 110.718 -179.435 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -58.26 -82.87 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.747 0.703 . . . . 0.0 109.137 168.211 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . 0.318 0.5 OUTLIER -70.46 -5.79 31.17 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 116.53 2.048 . . . . 0.0 116.53 -168.343 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -57.42 -39.89 77.16 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 119.715 1.143 . . . . 0.0 108.555 167.435 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -83.52 58.96 4.83 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 122.347 1.07 . . . . 0.0 110.389 175.384 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.3 m -138.03 53.97 1.81 Allowed 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 104.025 -2.583 . . . . 0.0 104.025 168.65 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.94 -48.6 3.81 Favored Glycine 0 C--N 1.337 0.586 0 N-CA-C 109.979 -1.248 . . . . 0.0 109.979 -168.211 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.39 -48.84 12.3 Favored 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 179.153 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.66 -81.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 124.754 1.221 . . . . 0.0 108.763 167.439 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 57.03 58.32 15.17 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 109.185 -1.566 . . . . 0.0 109.185 -176.499 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -54.06 153.37 5.04 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.056 -0.572 . . . . 0.0 111.986 -169.777 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 9.1 pttm -42.47 61.06 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 131.469 3.908 . . . . 0.0 116.547 -168.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 6.0 p80 179.32 -45.3 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 125.185 1.394 . . . . 0.0 111.25 -175.858 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 34.6 p -137.43 152.59 49.76 Favored 'General case' 0 C--N 1.34 0.177 0 CA-C-N 118.797 0.726 . . . . 0.0 112.72 -168.765 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 27.0 mt -83.88 111.44 19.23 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 105.437 -2.06 . . . . 0.0 105.437 168.288 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 57.6 p -84.98 81.83 8.72 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -168.153 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 17.4 mttm 64.54 -77.1 0.04 OUTLIER 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 125.619 1.567 . . . . 0.0 115.022 167.881 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.56 -42.33 82.78 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 -176.36 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -53.58 -39.0 64.48 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 172.67 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -68.34 -59.25 3.33 Favored 'General case' 0 C--N 1.343 0.318 0 O-C-N 121.224 -0.923 . . . . 0.0 108.949 177.796 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . 0.477 ' HZ1' ' CG ' ' B' ' 61' ' ' ASP . 2.4 tppt? -60.85 -27.38 68.05 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.523 -0.735 . . . . 0.0 111.572 -171.918 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -54.22 -47.46 72.14 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 119.267 0.94 . . . . 0.0 111.64 168.612 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.7 tt -55.59 -63.38 1.19 Allowed 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 126.138 1.775 . . . . 0.0 110.154 -176.426 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . 0.255 1.4 pp -33.4 -46.97 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.187 0 C-N-CA 125.947 1.699 . . . . 0.0 115.442 -166.394 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -45.86 -59.3 2.89 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.368 0.667 . . . . 0.0 111.655 -179.207 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -94.5 -78.02 0.45 Allowed 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 -168.344 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -65.68 -3.72 5.21 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 116.724 2.12 . . . . 0.0 116.724 -164.249 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 76.2 mt -90.69 5.71 47.02 Favored 'General case' 0 C--O 1.225 -0.196 0 CA-C-N 119.404 1.002 . . . . 0.0 112.055 169.94 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 78.75 -34.44 0.16 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 120.711 1.596 . . . . 0.0 112.555 177.334 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 16.0 pt -53.09 -15.04 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 C-N-CA 126.464 1.906 . . . . 0.0 114.451 -176.483 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 57.51 54.17 39.31 Favored Glycine 0 C--N 1.337 0.627 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 173.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 6.3 m 52.07 38.73 24.87 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.352 0.661 . . . . 0.0 111.951 -177.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 15.5 mmtm 64.95 2.85 1.89 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.088 1.755 . . . . 0.0 113.464 -176.663 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 68.6 mt 59.23 -72.49 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.843 2.057 . . . . 0.0 112.624 -176.751 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -102.15 -56.28 2.3 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 126.574 1.95 . . . . 0.0 109.21 -177.505 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -74.91 63.63 1.22 Allowed 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 125.362 1.465 . . . . 0.0 112.841 -167.671 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -128.04 39.86 3.77 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.969 0.908 . . . . 0.0 111.291 174.269 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.46 77.01 7.27 Favored 'General case' 0 N--CA 1.449 -0.481 1 N-CA-C 98.214 -4.736 . . . . 0.0 98.214 162.763 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 28.1 pt -22.47 23.85 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.546 2 C-N-CA 136.873 6.069 . . . . 0.0 122.215 -160.541 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 96.5 t -90.36 -54.92 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 106.053 -1.832 . . . . 0.0 106.053 174.177 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 11.3 mttp -59.47 -28.55 67.1 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.625 177.461 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 6.8 tt -71.55 -44.74 64.03 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.701 1.2 . . . . 0.0 110.6 174.032 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 58.5 ttp -55.22 -47.88 74.68 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.092 -1.005 . . . . 0.0 108.971 172.764 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -74.62 19.13 0.14 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 127.509 2.324 . . . . 0.0 115.62 -172.742 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . 0.349 18.3 m-20 -61.74 41.31 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 129.834 3.254 . . . . 0.0 113.015 164.416 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 pp -11.41 24.25 0.0 OUTLIER 'General case' 0 C--N 1.344 0.35 1 C-N-CA 139.519 7.128 . . . . 0.0 121.455 -157.504 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.477 ' CG ' ' HZ1' ' B' ' 35' ' ' LYS . 24.9 p-10 -55.35 -35.79 65.59 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 104.961 -2.237 . . . . 0.0 104.961 157.434 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 1.6 ppt_? -64.33 -5.7 5.63 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 177.933 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -59.5 -38.14 80.11 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.955 0.798 . . . . 0.0 110.74 169.34 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -143.05 72.92 1.38 Allowed 'General case' 0 C--O 1.239 0.523 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -174.176 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 28.5 t0 53.91 21.54 2.87 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 127.32 2.248 . . . . 0.0 113.078 169.807 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 49.68 24.81 1.29 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.211 1.004 . . . . 0.0 113.256 -176.402 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -90.0 74.13 7.29 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 106.202 -1.777 . . . . 0.0 106.202 169.683 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 22.3 t -77.06 112.14 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 C-N-CA 119.952 -0.699 . . . . 0.0 109.822 -168.868 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -67.51 159.6 29.36 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 126.48 1.912 . . . . 0.0 109.17 171.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -58.85 -43.31 90.74 Favored 'General case' 0 C--O 1.227 -0.127 0 O-C-N 121.626 -0.671 . . . . 0.0 109.873 177.071 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -52.24 -56.21 16.2 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-O 119.473 -0.299 . . . . 0.0 110.324 174.151 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -57.38 -51.74 68.19 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 122.903 0.481 . . . . 0.0 110.813 -178.525 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -48.49 -50.07 33.11 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 125.059 1.343 . . . . 0.0 109.934 175.677 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 22.5 mm -67.68 -42.3 86.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 CA-C-O 118.411 -0.804 . . . . 0.0 111.885 179.183 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 77.9 m -57.03 -49.93 74.29 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 120.592 1.542 . . . . 0.0 110.219 177.316 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -53.52 -58.52 6.85 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 125.641 1.576 . . . . 0.0 110.633 175.165 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 15.4 mt -51.41 -48.21 62.71 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 117.726 0.239 . . . . 0.0 110.666 175.461 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.36 -51.43 21.27 Favored Glycine 0 CA--C 1.529 0.944 0 C-N-CA 125.711 1.624 . . . . 0.0 113.534 172.623 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.01 -54.8 43.02 Favored 'General case' 0 CA--C 1.531 0.213 0 O-C-N 121.783 -0.833 . . . . 0.0 109.513 177.505 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -52.71 -38.83 61.35 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 122.488 0.315 . . . . 0.0 111.038 176.261 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.13 -41.29 81.88 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 125.766 1.626 . . . . 0.0 111.628 -178.061 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 1.4 tmm? -74.64 -21.06 59.64 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.407 -0.808 . . . . 0.0 111.225 174.267 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 86.0 mt -73.0 -71.59 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 CA-C-N 118.888 0.767 . . . . 0.0 109.923 169.932 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . 0.253 0.7 OUTLIER -74.25 26.51 0.08 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.895 1.278 . . . . 0.0 113.799 -177.996 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -50.79 -9.78 0.06 Allowed 'General case' 0 C--O 1.235 0.326 0 N-CA-C 117.796 2.517 . . . . 0.0 117.796 -167.791 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -72.89 -29.65 63.32 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 120.708 -1.245 . . . . 0.0 109.749 173.519 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.58 -46.68 87.19 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 169.095 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.23 -40.98 83.1 Favored 'General case' 0 C--O 1.227 -0.103 0 O-C-N 121.9 -0.5 . . . . 0.0 110.435 178.948 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -87.87 22.45 2.33 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 175.326 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . 1.015 ' OXT' ' OD2' ' A' ' 6' ' ' ASP . . . . . . . . 0 C--O 1.269 2.343 0 CA-C-N 119.085 0.857 . . . . 0.0 111.016 179.001 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.8 mtm . . . . . 0 CA--C 1.535 0.391 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 96.28 30.36 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 129.688 3.195 . . . . 0.0 109.609 -169.503 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.43 167.7 33.58 Favored Pre-proline 0 CA--C 1.534 0.339 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 169.349 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -51.01 -46.67 29.57 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 122.603 2.202 . . . . 0.0 114.177 -173.376 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.0 mp -65.83 -57.8 7.08 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.888 0.875 . . . . 0.0 110.353 -175.839 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.53 -43.76 68.64 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.087 0.955 . . . . 0.0 110.293 175.461 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.56 -43.96 76.37 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.701 0.8 . . . . 0.0 111.075 171.742 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.55 -44.7 89.93 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 119.086 0.857 . . . . 0.0 110.682 179.899 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.8 mm -54.03 -45.66 65.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 170.538 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.18 -52.31 18.08 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 124.807 1.194 . . . . 0.0 112.156 170.509 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.8 mt -54.57 -53.7 51.12 Favored 'General case' 0 C--N 1.338 0.079 0 CA-C-N 118.443 1.121 . . . . 0.0 110.146 177.589 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -54.58 -46.49 73.73 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 118.176 0.444 . . . . 0.0 110.937 178.467 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.4 mt -59.74 -36.19 64.42 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.173 0 C-N-CA 124.596 1.158 . . . . 0.0 111.418 176.868 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.44 -65.98 2.4 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 110.26 -1.136 . . . . 0.0 110.26 175.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.4 mm -44.67 -41.66 2.16 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.133 0 C-N-CA 127.081 2.152 . . . . 0.0 111.148 -178.123 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -28.73 -62.36 0.11 Allowed 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.288 1.835 . . . . 0.0 113.669 176.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -92.79 9.21 36.15 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 -173.933 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.1 tptp -63.27 -44.82 94.0 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 120.095 1.316 . . . . 0.0 109.479 173.897 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -56.82 125.0 20.48 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 123.927 0.891 . . . . 0.0 108.76 -175.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.8 p 152.47 -12.06 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 127.643 2.377 . . . . 0.0 112.148 -168.047 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.16 -69.05 2.78 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 105.474 -3.05 . . . . 0.0 105.474 -165.637 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.95 104.03 9.82 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 126.241 1.816 . . . . 0.0 110.465 178.323 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.44 ' CD ' ' H ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -74.3 -50.67 17.89 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 127.652 2.381 . . . . 0.0 114.65 -172.47 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 51.97 35.0 39.45 Favored Glycine 0 CA--C 1.534 1.229 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 -168.457 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.8 t0 35.31 45.67 0.22 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 128.493 2.717 . . . . 0.0 113.918 -168.63 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.9 tttm -67.12 108.38 2.64 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.169 0.988 . . . . 0.0 109.718 173.386 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -74.57 38.31 0.12 Allowed 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 114.419 1.266 . . . . 0.0 114.419 -173.107 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 63.8 p -153.56 139.79 18.47 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 124.617 1.167 . . . . 0.0 108.276 176.104 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 65.8 mt -98.05 100.3 11.62 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 168.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.3 m -78.95 60.96 3.03 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.249 -0.907 . . . . 0.0 111.188 -176.757 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? 62.98 -66.33 0.09 Allowed 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 127.355 2.262 . . . . 0.0 112.979 179.144 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.5 pttm -55.06 -45.96 75.34 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 119.054 0.843 . . . . 0.0 111.04 -175.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -50.31 -40.4 48.59 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 118.855 0.752 . . . . 0.0 112.166 171.882 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 tt -64.4 -21.28 66.59 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.604 -0.685 . . . . 0.0 111.245 -178.8 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.89 -41.93 75.19 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.379 -0.825 . . . . 0.0 109.552 170.414 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 59.0 tt0 -57.22 -41.55 79.71 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-O 121.445 0.64 . . . . 0.0 109.572 176.364 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 tt -58.96 -74.39 0.07 Allowed 'General case' 0 N--CA 1.439 -1.024 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.375 -171.307 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 28.6 pt -46.33 -11.65 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.556 1.191 0 N-CA-C 117.105 2.261 . . . . 0.0 117.105 -166.649 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -92.38 -53.81 4.06 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 121.149 1.795 . . . . 0.0 112.965 169.796 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.54 33.53 0.91 Allowed 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 128.732 2.813 . . . . 0.0 107.943 176.84 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.55 -111.98 0.0 OUTLIER 'General case' 0 N--CA 1.432 -1.333 1 N-CA-C 126.118 5.599 . . . . 0.0 126.118 -153.78 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 43.7 mt -96.45 -59.42 1.83 Allowed 'General case' 0 N--CA 1.436 -1.162 0 C-N-CA 127.653 2.381 . . . . 0.0 110.184 -163.216 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.0 m -161.55 -67.04 0.06 Allowed 'General case' 0 C--O 1.228 -0.056 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 175.128 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 34.3 pt -141.68 42.87 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 125.679 1.592 . . . . 0.0 110.417 172.097 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -58.23 -35.63 78.98 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 108.163 -1.975 . . . . 0.0 108.163 168.613 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.6 m -65.41 98.99 0.38 Allowed 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 124.177 0.991 . . . . 0.0 109.969 168.908 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 28.2 mtmm -75.09 64.63 1.4 Allowed 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 127.105 2.162 . . . . 0.0 108.465 174.806 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.0 tm? 73.53 -64.85 0.38 Allowed 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 127.592 2.357 . . . . 0.0 111.274 172.62 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -147.19 42.89 1.12 Allowed 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.74 0.816 . . . . 0.0 109.24 -174.873 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.6 p-10 -77.62 117.94 19.53 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 123.847 0.859 . . . . 0.0 109.747 175.603 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.36 158.73 5.29 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.607 174.706 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -49.62 -41.18 41.62 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 121.201 0.524 . . . . 0.0 110.371 173.012 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 88.0 mt -52.33 -40.42 31.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 124.388 1.075 . . . . 0.0 110.911 174.483 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 92.7 t -81.42 -45.34 20.62 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.302 0 O-C-N 121.95 -0.469 . . . . 0.0 110.035 179.725 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -51.01 -37.74 46.96 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 126.183 1.793 . . . . 0.0 111.145 177.218 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.7 tp -47.23 -42.93 21.32 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 118.701 -0.666 . . . . 0.0 110.174 173.252 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 44.2 ttm -52.75 -49.44 65.49 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.309 0.644 . . . . 0.0 111.168 -179.72 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -56.86 -35.44 68.88 Favored 'General case' 0 CA--C 1.516 -0.328 0 C-N-CA 123.128 0.571 . . . . 0.0 111.594 176.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -63.97 -15.83 60.16 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 118.718 -0.658 . . . . 0.0 112.72 178.418 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . 0.313 37.7 mt -72.57 7.84 1.7 Allowed 'General case' 0 C--N 1.341 0.217 0 N-CA-C 118.339 2.718 . . . . 0.0 118.339 -167.18 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.413 ' OD1' ' NZ ' ' A' ' 64' ' ' LYS . 4.2 p-10 -65.18 -10.52 31.99 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 118.338 -1.345 . . . . 0.0 107.429 156.917 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -14.03 28.07 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.697 1 C-N-CA 137.519 6.328 . . . . 0.0 121.209 -164.952 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -53.81 -11.57 0.42 Allowed 'General case' 0 CA--C 1.539 0.556 0 O-C-N 120.83 -1.169 . . . . 0.0 113.5 174.599 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.413 ' NZ ' ' OD1' ' A' ' 61' ' ' ASP . 16.5 mttt -46.1 -14.26 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 128.619 2.767 . . . . 0.0 112.434 165.295 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -42.08 -53.29 4.01 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 165.192 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -80.53 144.02 32.81 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 168.089 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -49.29 134.57 18.25 Favored 'General case' 0 C--O 1.232 0.18 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -169.648 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 23.1 t -76.06 83.48 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 CA-C-O 122.078 0.942 . . . . 0.0 110.348 -169.128 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 -74.55 166.79 22.95 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 106.861 -1.533 . . . . 0.0 106.861 166.528 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -50.81 -45.22 59.28 Favored 'General case' 0 C--O 1.222 -0.388 0 O-C-N 121.784 -0.573 . . . . 0.0 109.688 -179.662 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -42.0 -42.66 2.91 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.679 1.192 . . . . 0.0 112.445 175.132 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -87.54 -44.21 11.44 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 119.176 0.898 . . . . 0.0 111.312 -170.886 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -49.02 -41.91 36.38 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 167.401 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 12.8 mm -64.83 -53.55 40.45 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 CA-C-O 117.082 -1.437 . . . . 0.0 112.125 173.651 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 37.5 m -41.59 -52.94 3.65 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 121.304 1.865 . . . . 0.0 110.115 178.162 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -57.63 -55.91 28.68 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 125.733 1.613 . . . . 0.0 112.051 176.552 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.7 mt -49.88 -48.77 51.2 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.28 0.491 . . . . 0.0 110.648 176.565 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.87 -47.22 80.6 Favored Glycine 0 CA--C 1.526 0.729 0 C-N-CA 125.509 1.528 . . . . 0.0 111.463 178.666 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.63 -51.21 57.52 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 122.647 0.379 . . . . 0.0 110.953 176.758 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.5 mp -69.97 -47.8 60.83 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 122.19 -0.319 . . . . 0.0 111.598 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -38.39 -54.55 1.45 Allowed 'General case' 0 C--O 1.236 0.369 0 C-N-CA 127.338 2.255 . . . . 0.0 113.311 -173.536 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 74.0 mtm -39.99 -48.98 2.47 Favored 'General case' 0 C--N 1.339 0.144 0 O-C-N 124.385 1.053 . . . . 0.0 110.631 176.822 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 38.3 mm -88.37 -70.91 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 C-N-CA 125.311 1.444 . . . . 0.0 109.806 -175.826 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . 0.267 0.0 OUTLIER -65.75 -24.16 66.89 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -166.622 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -91.39 -61.81 1.57 Allowed 'General case' 0 C--N 1.341 0.215 0 CA-C-N 118.967 0.803 . . . . 0.0 111.449 178.727 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.447 ' OE2' ' NZ ' ' A' ' 89' ' ' LYS . 0.7 OUTLIER -108.96 -20.83 12.9 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 -166.134 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 47.62 32.87 2.67 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.049 0.54 . . . . 0.0 109.564 -166.303 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 78.3 mt 29.28 73.1 0.05 OUTLIER 'General case' 0 C--N 1.347 0.496 0 C-N-CA 127.948 2.499 . . . . 0.0 110.419 -167.907 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.447 ' NZ ' ' OE2' ' A' ' 86' ' ' GLU . 0.0 OUTLIER 64.2 74.03 0.42 Allowed 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 126.015 1.726 . . . . 0.0 109.454 -167.924 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.405 0 N-CA-C 109.722 -1.351 . . . . 0.0 109.722 169.697 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.423 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.14 -58.93 1.79 Allowed 'General case' 0 N--CA 1.459 -0.024 0 CA-C-N 119.021 0.828 . . . . 0.0 112.206 -168.813 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 11.4 t -77.89 145.39 70.03 Favored Pre-proline 0 C--N 1.324 -0.523 0 C-N-CA 124.706 1.203 . . . . 0.0 108.819 179.581 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -56.83 -33.75 95.26 Favored 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 121.721 1.614 . . . . 0.0 110.803 169.892 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 59.0 mt -67.45 -52.95 33.33 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 178.796 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -44.12 96.08 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 -178.496 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -53.6 -51.56 62.65 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.655 0.782 . . . . 0.0 110.687 172.511 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.52 -50.1 72.83 Favored 'General case' 0 C--O 1.234 0.263 0 O-C-N 121.749 -0.594 . . . . 0.0 111.619 179.911 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 33.1 mm -59.03 -45.92 92.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 176.491 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.98 -45.28 50.76 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 124.18 0.895 . . . . 0.0 110.96 174.075 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.2 tp -66.5 -62.53 1.42 Allowed 'General case' 0 N--CA 1.445 -0.687 0 O-C-N 121.855 -0.791 . . . . 0.0 110.513 -179.773 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 80.7 mt -68.78 -56.83 6.79 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 119.136 -1.026 . . . . 0.0 109.985 -173.718 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -90.95 -32.22 5.28 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-O 118.209 -0.901 . . . . 0.0 111.365 -171.411 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.62 -62.32 5.9 Favored Glycine 0 C--N 1.34 0.801 0 N-CA-C 108.437 -1.865 . . . . 0.0 108.437 -178.301 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 45.7 mt -42.27 -40.75 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.156 0 C-N-CA 123.559 0.744 . . . . 0.0 111.118 174.142 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -49.47 -58.29 5.45 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 -177.171 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -90.24 -7.3 53.83 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 176.736 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -62.56 -55.03 31.12 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 106.812 -1.551 . . . . 0.0 106.812 167.908 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 9.1 m-30 -64.92 133.16 51.2 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 176.41 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.7 t 52.59 17.13 0.75 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.345 1.858 . . . . 0.0 115.934 -169.376 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -156.56 -19.06 0.04 OUTLIER Glycine 0 C--N 1.34 0.794 0 C-N-CA 117.94 -2.076 . . . . 0.0 117.395 -169.771 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp 51.78 43.56 29.95 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.089 1.444 . . . . 0.0 111.051 -174.855 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 72.0 -69.63 0.18 Allowed 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 127.433 2.293 . . . . 0.0 110.749 178.703 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 25.09 -106.38 0.01 OUTLIER Glycine 0 CA--C 1.532 1.095 0 C-N-CA 127.089 2.28 . . . . 0.0 113.583 -179.46 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -111.42 -120.62 0.29 Allowed 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.856 2.062 . . . . 0.0 111.193 -174.503 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -109.93 109.4 20.0 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 125.066 1.346 . . . . 0.0 108.886 -172.352 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -139.6 126.76 21.16 Favored 'General case' 0 C--N 1.339 0.125 0 C-N-CA 123.308 0.643 . . . . 0.0 110.027 -179.672 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 18.9 p -83.85 172.86 11.75 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 126.338 1.855 . . . . 0.0 108.925 169.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 6.3 mp -103.22 150.35 23.79 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 118.242 0.473 . . . . 0.0 110.167 176.304 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 18.6 p -120.53 171.52 8.49 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 126.587 1.955 . . . . 0.0 108.414 169.833 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 31.0 tttp -52.38 -30.28 28.18 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -171.052 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.499 ' HZ2' ' CD ' ' B' ' 33' ' ' GLU . 20.1 pttm -64.39 -31.38 72.57 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 -174.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.499 ' CD ' ' HZ2' ' B' ' 32' ' ' LYS . 0.8 OUTLIER -91.05 -31.87 16.11 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 119.128 0.876 . . . . 0.0 110.031 171.319 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -51.72 -41.43 61.5 Favored 'General case' 0 C--O 1.225 -0.214 0 CA-C-N 118.554 0.616 . . . . 0.0 110.041 171.122 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -41.25 -43.72 2.46 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.397 0.679 . . . . 0.0 112.72 170.188 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -77.73 -53.4 7.57 Favored 'General case' 0 N--CA 1.454 -0.231 0 O-C-N 122.013 -0.429 . . . . 0.0 110.353 176.865 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 tt -45.66 -49.85 14.05 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.765 1.626 . . . . 0.0 109.878 -175.046 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 5.9 pt -71.86 -17.24 19.16 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -174.357 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -88.1 -58.94 2.38 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 172.209 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -82.2 -82.85 0.13 Allowed 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 123.886 0.875 . . . . 0.0 111.69 -172.365 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -51.56 -34.73 37.98 Favored 'General case' 0 CA--C 1.528 0.122 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -167.47 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 37.2 mt -64.22 -5.82 5.65 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 119.612 1.096 . . . . 0.0 113.898 176.586 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 10.5 m 46.0 -107.96 0.16 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.184 1.793 . . . . 0.0 113.549 167.661 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 44.4 mm -71.21 -18.63 20.54 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 O-C-N 121.35 -0.844 . . . . 0.0 111.284 -174.678 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.42 -52.13 23.18 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 109.34 -1.504 . . . . 0.0 109.34 169.863 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 37.8 p -75.68 -68.51 0.56 Allowed 'General case' 0 N--CA 1.448 -0.556 0 O-C-N 122.555 -0.38 . . . . 0.0 110.456 -174.687 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? 55.69 27.83 11.23 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.305 1.042 . . . . 0.0 110.105 -171.875 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 56.8 mt 50.75 37.58 17.18 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.501 1.12 . . . . 0.0 111.845 -169.165 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 6.7 tm0? -163.77 87.99 0.53 Allowed 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 125.388 1.475 . . . . 0.0 107.807 -177.078 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -80.6 -152.94 0.09 Allowed 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 169.964 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -167.9 172.22 9.18 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 126.744 2.018 . . . . 0.0 105.997 -175.285 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -44.65 88.69 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 119.307 0.958 . . . . 0.0 108.586 171.1 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 35.1 mm -53.73 -44.34 58.64 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 122.696 0.399 . . . . 0.0 110.337 174.264 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 86.4 t -71.47 -42.0 72.89 Favored 'Isoleucine or valine' 0 C--N 1.338 0.098 0 O-C-N 121.598 -0.689 . . . . 0.0 109.598 -179.831 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -28.87 68.71 Favored 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 121.74 -0.6 . . . . 0.0 111.42 -174.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 55.2 tp -50.53 -37.92 41.84 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.511 -0.743 . . . . 0.0 109.884 168.621 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 10.1 tmm? -84.81 -56.98 3.3 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.786 0.834 . . . . 0.0 111.505 176.404 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . 0.262 0.7 OUTLIER -62.22 -45.56 92.82 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 119.891 1.223 . . . . 0.0 114.099 -168.584 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -72.9 20.48 0.08 Allowed 'General case' 0 N--CA 1.44 -0.938 0 O-C-N 121.79 -0.569 . . . . 0.0 110.977 175.176 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 12.0 mt -54.34 -24.54 19.77 Favored 'General case' 0 C--N 1.346 0.45 0 O-C-N 119.482 -2.011 . . . . 0.0 109.99 166.22 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.62 -25.51 0.48 Allowed 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 123.813 0.845 . . . . 0.0 112.539 168.298 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 11.8 ptp85 -43.31 -19.22 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 169.15 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -30.01 -41.13 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 126.988 2.115 . . . . 0.0 112.794 167.92 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . 0.289 3.2 ptmm? 65.15 -59.47 0.26 Allowed 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 127.757 2.423 . . . . 0.0 115.872 172.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -59.54 -40.58 87.7 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 119.321 0.964 . . . . 0.0 109.204 -173.815 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -129.23 121.36 27.45 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 101.911 -3.366 . . . . 0.0 101.911 163.92 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -69.63 -76.02 0.1 Allowed 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 119.025 0.83 . . . . 0.0 109.542 -172.8 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 1.6 t -139.97 104.92 1.98 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 121.592 0.71 . . . . 0.0 111.502 171.741 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -89.53 168.34 12.25 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.225 1.01 . . . . 0.0 108.328 167.35 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -55.29 -40.93 71.66 Favored 'General case' 0 C--O 1.225 -0.212 0 C-N-CA 123.509 0.724 . . . . 0.0 111.914 -169.393 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -56.89 -59.08 5.57 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 179.331 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -56.69 -52.24 65.7 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 122.949 0.5 . . . . 0.0 110.461 -178.2 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -44.39 -59.46 2.4 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 125.586 1.554 . . . . 0.0 109.771 175.543 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 2.8 mm -59.15 -41.81 84.82 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 C-N-CA 123.681 0.793 . . . . 0.0 111.296 178.684 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 44.9 m -61.38 -49.32 77.39 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 118.843 0.747 . . . . 0.0 109.241 -176.323 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . 0.307 5.0 p90 -70.84 -37.44 73.15 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 122.01 -0.431 . . . . 0.0 112.034 -178.769 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 31.2 mt -55.55 -48.09 75.32 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.789 -0.569 . . . . 0.0 109.669 168.489 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.99 -45.92 79.45 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 125.975 1.75 . . . . 0.0 111.973 179.046 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.95 -51.72 55.14 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.732 0.266 . . . . 0.0 110.593 174.781 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 27.1 mt -63.9 -40.0 95.48 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 121.795 -0.566 . . . . 0.0 111.645 175.283 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.66 -47.02 63.95 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.726 0.81 . . . . 0.0 111.046 -178.09 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 30.5 mtp -50.55 -65.65 0.52 Allowed 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 121.263 0.554 . . . . 0.0 109.914 172.902 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.81 -53.79 40.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 123.948 0.899 . . . . 0.0 110.742 -170.007 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -77.46 -5.73 50.96 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -171.503 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -90.66 -100.1 0.1 Allowed 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 178.039 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.75 24.88 5.37 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 125.339 1.455 . . . . 0.0 111.671 175.174 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . 49.09 35.22 6.72 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 122.874 0.47 . . . . 0.0 109.919 -175.001 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 27.1 mt 63.97 45.34 4.29 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.404 1.081 . . . . 0.0 110.11 -179.831 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? 60.25 42.46 15.13 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 125.277 1.431 . . . . 0.0 108.27 -176.64 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.411 0 N-CA-C 109.689 -1.364 . . . . 0.0 109.689 -169.055 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 98.1 mt . . . . . 0 CA--C 1.534 0.35 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.52 -47.87 28.83 Favored Glycine 0 CA--C 1.528 0.87 0 C-N-CA 124.372 0.987 . . . . 0.0 111.407 173.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 52.8 tp -63.36 -49.17 74.91 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 117.768 0.784 . . . . 0.0 110.544 179.366 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.1 mp -54.1 -50.34 67.06 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.927 0.785 . . . . 0.0 110.612 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 90.1 mt -63.02 -46.02 97.35 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 122.75 0.42 . . . . 0.0 109.878 177.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.5 -45.48 93.02 Favored Glycine 0 CA--C 1.522 0.523 0 C-N-CA 125.186 1.374 . . . . 0.0 111.383 -178.08 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 20.4 mm -65.99 -53.93 32.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 177.497 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -40.56 -60.06 1.21 Allowed 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.68 0.792 . . . . 0.0 111.148 172.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . 0.251 2.2 m-70 -90.84 21.77 3.95 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 178.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -50.0 65.53 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 168.453 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -80.38 57.8 2.93 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 125.147 1.379 . . . . 0.0 108.152 -177.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 N--CA 1.452 -0.348 0 C-N-CA 124.234 1.014 . . . . 0.0 109.177 178.948 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.6 pttp . . . . . 0 N--CA 1.444 -0.735 0 CA-C-O 119.062 -0.494 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.0 p80 -71.94 -50.09 32.01 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 119.901 1.228 . . . . 0.0 111.214 -177.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -111.58 -168.06 1.26 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.235 1.814 . . . . 0.0 107.207 174.004 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -136.29 119.43 16.57 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 -179.132 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.3 p -62.74 150.28 41.68 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.1 0.476 . . . . 0.0 112.06 -171.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.0 mmtm -48.77 -58.18 5.19 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.732 0.813 . . . . 0.0 110.563 170.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.8 -30.95 71.98 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 120.438 -0.505 . . . . 0.0 111.286 -170.132 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -69.42 -45.48 69.08 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 118.759 0.709 . . . . 0.0 110.804 169.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.0 tt -55.97 -38.44 70.4 Favored 'General case' 0 N--CA 1.462 0.144 0 O-C-N 120.986 -1.071 . . . . 0.0 110.875 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.425 ' NZ ' ' OD1' ' A' ' 59' ' ' ASP . 41.5 mmtt -60.11 -9.55 3.36 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 113.437 0.902 . . . . 0.0 113.437 179.217 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -78.55 -49.57 13.09 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 120.11 1.323 . . . . 0.0 110.413 169.051 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tt -45.73 -60.42 2.22 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 126.108 1.763 . . . . 0.0 109.284 176.164 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.1 tt -58.48 -46.59 89.63 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.485 -170.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -65.15 -59.53 4.01 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 120.055 -0.658 . . . . 0.0 110.758 -176.152 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.9 mmtm -97.15 -64.77 1.01 Allowed 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 115.884 1.809 . . . . 0.0 115.884 -175.474 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -78.75 14.53 1.3 Allowed 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 116.531 2.048 . . . . 0.0 116.531 -165.122 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.88 22.95 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 117.537 2.421 . . . . 0.0 117.537 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 69.09 -71.72 0.12 Allowed 'General case' 0 CA--C 1.531 0.223 0 O-C-N 120.167 -1.583 . . . . 0.0 112.593 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 15.2 tt . . . . . 0 C--O 1.237 0.402 0 C-N-CA 124.594 1.157 . . . . 0.0 110.811 -170.666 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.4 mt . . . . . 0 CA--C 1.537 0.45 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 16.1 tpt -71.26 -60.02 2.46 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 118.707 0.685 . . . . 0.0 109.918 169.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.531 ' C ' ' H ' ' A' ' 60' ' ' LEU . 38.6 t70 -72.97 7.92 1.81 Allowed 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 126.56 1.944 . . . . 0.0 115.114 -176.524 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.425 ' OD1' ' NZ ' ' A' ' 35' ' ' LYS . 20.3 t70 -66.99 28.76 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 128.946 2.899 . . . . 0.0 109.119 163.545 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.531 ' H ' ' C ' ' A' ' 58' ' ' ASP . 48.1 mt -60.52 -6.47 1.63 Allowed 'General case' 0 C--N 1.344 0.367 0 C-N-CA 128.303 2.641 . . . . 0.0 111.496 -179.015 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -52.82 -20.65 3.4 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.629 0.728 . . . . 0.0 110.147 164.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.409 ' NH1' ' HB3' ' A' ' 59' ' ' ASP . 43.0 mtm-85 -54.04 -18.09 3.27 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 168.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -28.6 -70.39 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 127.461 2.304 . . . . 0.0 117.116 -167.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.403 ' NZ ' ' OE2' ' A' ' 72' ' ' GLU . 11.9 pttp -150.15 -53.46 0.15 Allowed 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 119.225 0.92 . . . . 0.0 112.744 -171.093 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.93 -22.37 61.48 Favored 'General case' 0 N--CA 1.461 0.116 0 C-N-CA 124.342 1.057 . . . . 0.0 111.318 -168.606 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 68.7 -71.94 0.11 Allowed 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 126.449 1.9 . . . . 0.0 108.161 -168.26 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -80.59 79.5 7.21 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 106.581 -1.637 . . . . 0.0 106.581 176.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.0 m -54.52 161.26 0.47 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.127 0 C-N-CA 125.618 1.567 . . . . 0.0 114.541 -169.163 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -95.08 179.3 5.26 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 125.079 1.352 . . . . 0.0 108.156 175.227 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -59.05 -33.2 70.5 Favored 'General case' 0 C--O 1.224 -0.256 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 168.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.47 -64.84 0.68 Allowed 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 123.55 0.74 . . . . 0.0 111.392 178.673 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.403 ' OE2' ' NZ ' ' A' ' 64' ' ' LYS . 27.9 mp0 -62.92 -44.86 94.94 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 119.546 1.066 . . . . 0.0 109.664 -171.166 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -42.66 -68.13 0.22 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.829 1.251 . . . . 0.0 110.133 170.284 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 9.5 tp -70.78 -25.81 26.94 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.309 0 O-C-N 121.745 -0.597 . . . . 0.0 111.108 -171.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 91.7 m -59.92 -56.88 16.3 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 118.74 0.7 . . . . 0.0 109.69 173.312 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.01 -44.51 72.65 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 122.237 -0.289 . . . . 0.0 110.315 -175.163 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 39.1 mt -58.52 -37.46 75.69 Favored 'General case' 0 C--O 1.224 -0.248 0 O-C-N 121.747 -0.596 . . . . 0.0 111.065 172.413 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.34 -49.77 74.95 Favored Glycine 0 CA--C 1.525 0.674 0 C-N-CA 124.42 1.009 . . . . 0.0 110.774 175.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.84 -51.86 59.35 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 122.531 0.332 . . . . 0.0 110.253 175.052 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 97.7 mt -59.8 -42.29 93.11 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 122.122 -0.361 . . . . 0.0 111.469 177.236 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.17 -38.65 83.84 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.564 0.746 . . . . 0.0 110.778 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 8.0 ttt -53.02 -28.49 24.45 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 119.533 -0.27 . . . . 0.0 111.158 172.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 21.5 mm -88.62 -67.12 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 C-N-CA 123.512 0.725 . . . . 0.0 109.62 174.081 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -61.91 -29.73 70.41 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 113.523 0.935 . . . . 0.0 113.523 -168.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -91.21 22.9 3.55 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 118.723 -0.656 . . . . 0.0 111.712 178.782 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 . . . . . 0 CA--C 1.536 0.416 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 -171.699 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.465 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 9' ' ' ILE . . . . . 0.403 HD12 ' N ' ' B' ' 9' ' ' ILE . 2.0 mp -68.26 -40.13 82.16 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 N-CA-C 107.929 -1.138 . . . . 0.0 107.929 174.335 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -41.74 -39.45 2.65 Favored Glycine 0 CA--C 1.529 0.947 0 C-N-CA 125.664 1.602 . . . . 0.0 112.6 169.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 85.1 mt -61.17 -46.41 90.63 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 119.602 1.701 . . . . 0.0 110.97 174.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 54.7 mt -63.94 -44.86 91.56 Favored 'General case' 0 C--O 1.234 0.286 0 O-C-N 121.689 -0.632 . . . . 0.0 109.809 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 81.8 mt -57.29 -40.71 75.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 C-N-CA 123.335 0.654 . . . . 0.0 109.591 171.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.23 -62.13 6.63 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 126.038 1.78 . . . . 0.0 110.094 176.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.9 mp -56.76 -48.44 81.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-N 118.852 1.326 . . . . 0.0 109.411 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' PHE . . . . . 0.453 ' CE2' ' CE1' ' B' ' 17' ' ' HIS . 53.4 t80 -43.3 -66.91 0.32 Allowed 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 123.661 0.784 . . . . 0.0 110.863 174.116 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' HIS . . . . . 0.453 ' CE1' ' CE2' ' B' ' 16' ' ' PHE . 1.5 m-70 -85.33 0.71 51.2 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 115.948 1.832 . . . . 0.0 115.948 -175.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -59.17 -48.92 79.82 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 106.01 -1.848 . . . . 0.0 106.01 166.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -76.63 50.22 0.67 Allowed 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 122.358 1.075 . . . . 0.0 110.883 171.229 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 16.1 m -142.97 -1.37 1.09 Allowed 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 123.613 0.765 . . . . 0.0 111.405 167.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 108.774 -1.731 . . . . 0.0 108.774 170.594 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.54 0.57 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 34.0 p80 -106.0 -172.05 2.02 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 121.117 -0.989 . . . . 0.0 111.094 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 1.3 p -43.68 141.47 1.5 Allowed 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 127.288 2.235 . . . . 0.0 110.629 173.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 8.2 mp -71.41 100.83 2.27 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 174.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.7 m -84.95 90.33 7.79 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 122.97 0.508 . . . . 0.0 110.714 -170.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 18.5 mttp 64.79 -82.68 0.03 OUTLIER 'General case' 0 C--O 1.232 0.152 0 C-N-CA 124.924 1.289 . . . . 0.0 113.115 169.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -51.97 -44.56 64.05 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.648 0.779 . . . . 0.0 109.507 -172.353 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -52.76 -50.01 64.37 Favored 'General case' 0 N--CA 1.437 -1.106 0 C-N-CA 124.032 0.933 . . . . 0.0 110.579 176.1 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.567 HD23 HG21 ' B' ' 68' ' ' VAL . 0.5 OUTLIER -67.45 -45.96 74.48 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 118.894 -1.123 . . . . 0.0 108.991 -175.504 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 58.2 mmtt -67.36 -26.24 66.38 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 119.568 -0.853 . . . . 0.0 110.799 -175.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -73.96 -35.92 64.57 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.846 0.858 . . . . 0.0 112.006 171.066 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.2 tt -68.4 -57.29 6.11 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 125.298 1.439 . . . . 0.0 110.776 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 19.4 tt -53.67 -36.45 29.0 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 C-N-CA 123.434 0.694 . . . . 0.0 112.682 -169.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -74.32 -19.48 60.45 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -93.23 -100.31 0.13 Allowed 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 178.247 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -86.73 -30.26 21.76 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 115.631 1.715 . . . . 0.0 115.631 -166.311 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -29.04 -61.63 0.13 Allowed 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 116.649 2.092 . . . . 0.0 116.649 -167.338 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 80.1 p -81.42 -110.19 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 120.88 0.371 . . . . 0.0 110.15 -169.368 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 7.1 mt -86.57 51.6 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 O-C-N 120.788 -1.195 . . . . 0.0 109.178 -174.08 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -171.433 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 . . . . . 0 N--CA 1.467 0.423 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -60.05 -4.32 0.75 Allowed 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.032 0.533 . . . . 0.0 110.141 163.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 59.9 tp -28.13 -30.92 0.0 OUTLIER 'General case' 0 C--N 1.344 0.348 1 C-N-CA 132.606 4.362 . . . . 0.0 114.933 169.26 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.564 ' HB2' HG22 ' B' ' 68' ' ' VAL . 2.8 p30 -44.33 -25.89 0.28 Allowed 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 122.649 1.214 . . . . 0.0 112.622 168.085 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -38.66 -36.75 0.28 Allowed 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 127.452 2.301 . . . . 0.0 111.674 167.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -41.42 -39.35 1.46 Allowed 'General case' 0 C--N 1.341 0.222 0 C-N-CA 127.459 2.304 . . . . 0.0 113.502 177.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.64 75.95 1.41 Allowed 'General case' 0 C--O 1.235 0.336 0 N-CA-C 105.407 -2.072 . . . . 0.0 105.407 -177.252 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 31.4 t0 16.95 55.9 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 130.256 3.422 . . . . 0.0 115.735 -174.081 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 61.31 10.2 2.95 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 115.799 1.777 . . . . 0.0 115.799 164.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.4 85.12 7.11 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 106.491 -1.67 . . . . 0.0 106.491 170.725 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.567 HG21 HD23 ' B' ' 34' ' ' LEU . 2.3 t -79.25 116.05 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -166.222 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -78.01 165.7 23.72 Favored 'General case' 0 CA--C 1.527 0.093 0 C-N-CA 124.647 1.179 . . . . 0.0 109.643 169.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -55.41 -45.63 76.7 Favored 'General case' 0 C--O 1.22 -0.455 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 177.207 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -51.07 -54.99 19.85 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 122.624 0.369 . . . . 0.0 110.803 175.071 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -59.77 -51.04 71.45 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.592 0.757 . . . . 0.0 109.857 -175.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -49.97 -52.12 36.17 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.663 1.185 . . . . 0.0 110.949 173.213 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 21.1 mm -61.07 -32.81 53.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 123.597 0.759 . . . . 0.0 110.789 178.254 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 26.4 m -56.29 -56.85 15.91 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 119.421 1.01 . . . . 0.0 109.91 -179.079 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.76 -44.61 69.83 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 119.207 -0.425 . . . . 0.0 111.304 -178.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 9.4 mt -50.1 -47.03 54.08 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 118.523 0.601 . . . . 0.0 110.374 174.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.27 -60.28 8.75 Favored Glycine 0 CA--C 1.523 0.567 0 C-N-CA 124.816 1.198 . . . . 0.0 111.49 174.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -49.81 -54.21 20.65 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.007 0.523 . . . . 0.0 110.978 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 42.2 mt -61.86 -48.51 80.21 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 123.571 0.748 . . . . 0.0 111.011 -179.038 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.26 -40.62 82.3 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 123.658 0.783 . . . . 0.0 110.041 -178.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 11.6 ttt -53.99 -26.11 24.41 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 122.643 0.377 . . . . 0.0 111.531 175.236 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 32.5 mm -90.85 -69.56 0.62 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 C-N-CA 123.883 0.873 . . . . 0.0 110.156 171.151 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 17.2 p90 -61.75 -33.38 73.96 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 -168.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -91.39 21.33 4.57 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.652 0.781 . . . . 0.0 111.704 -178.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 . . . . . 0 CA--C 1.54 0.57 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 -169.622 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 92.8 mt . . . . . 0 CA--C 1.534 0.336 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.35 -55.12 13.55 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 123.591 0.615 . . . . 0.0 111.911 176.032 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 50.4 tp -59.56 -53.28 59.85 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.959 0.904 . . . . 0.0 110.116 -176.403 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 mp -60.05 -50.96 71.65 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 124.218 1.007 . . . . 0.0 110.952 -176.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 55.6 mt -63.76 -41.68 93.4 Favored 'Isoleucine or valine' 0 C--N 1.339 0.15 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 178.445 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.21 -60.9 8.04 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 110.744 -0.943 . . . . 0.0 110.744 177.144 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 81.9 mt -59.36 -37.08 67.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 O-C-N 122.439 -0.448 . . . . 0.0 110.402 -178.12 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -58.75 -74.87 0.06 Allowed 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 118.777 0.717 . . . . 0.0 110.778 170.322 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -78.56 -31.05 47.15 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 117.326 2.343 . . . . 0.0 117.326 -164.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.37 -36.89 79.09 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 120.115 1.325 . . . . 0.0 109.65 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -67.65 -7.0 23.15 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.113 0.965 . . . . 0.0 112.076 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 51.1 m . . . . . 0 CA--C 1.54 0.588 0 O-C-N 120.985 -1.072 . . . . 0.0 109.978 167.73 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.6 mmtm . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 105.967 -1.864 . . . . 0.0 105.967 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 52.5 m80 -65.72 -34.37 78.05 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 122.128 -0.357 . . . . 0.0 110.255 -175.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.3 p -97.1 156.97 16.15 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 106.496 -1.668 . . . . 0.0 106.496 166.081 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.9 mp -71.62 137.97 48.34 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 120.956 -1.09 . . . . 0.0 109.034 175.271 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.5 p -83.13 50.99 1.85 Allowed 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -169.349 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 36.4 mttm 67.96 -73.81 0.08 Allowed 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 125.886 1.675 . . . . 0.0 114.401 168.002 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -38.92 90.95 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.968 -0.458 . . . . 0.0 110.427 -170.082 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 50.6 mp0 -56.11 -35.43 67.05 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 122.433 0.293 . . . . 0.0 110.534 174.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.88 -43.84 97.72 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 119.87 -0.732 . . . . 0.0 110.469 -174.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -62.82 -20.04 64.65 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.658 -0.651 . . . . 0.0 112.273 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -79.29 -51.55 9.3 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 121.56 0.695 . . . . 0.0 109.897 169.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 tt -52.39 -42.45 64.03 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 125.852 1.661 . . . . 0.0 111.639 -176.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 7.0 pt -62.72 -32.65 56.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 120.095 -1.628 . . . . 0.0 112.608 178.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -63.27 -59.27 4.95 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 115.198 1.555 . . . . 0.0 115.198 -165.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.3 mtmm -92.86 -48.49 6.52 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 122.159 0.981 . . . . 0.0 111.27 -166.571 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -89.77 -49.18 6.78 Favored 'General case' 0 N--CA 1.437 -1.086 0 C-N-CA 127.181 2.193 . . . . 0.0 112.15 -165.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.7 mt -77.79 -70.12 0.5 Allowed 'General case' 0 C--N 1.342 0.26 0 CA-C-N 119.869 1.213 . . . . 0.0 112.241 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 42.0 p -77.01 93.61 3.85 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -163.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.8 mm . . . . . 0 CA--C 1.537 0.47 0 CA-C-O 120.916 0.388 . . . . 0.0 110.181 170.274 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.4 mp . . . . . 0 CA--C 1.54 0.571 0 CA-C-O 119.753 -0.165 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.4 tmm? -67.12 -56.56 9.47 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 171.282 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -47.1 -53.13 13.5 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 123.911 0.884 . . . . 0.0 110.71 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -65.84 20.96 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.636 1.974 . . . . 0.0 115.897 -167.043 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 62.8 tp -65.18 -47.46 76.89 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 121.102 -0.999 . . . . 0.0 109.363 168.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -48.26 -39.51 21.75 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 124.42 1.088 . . . . 0.0 110.408 174.39 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -6.4 1.49 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.171 1.788 . . . . 0.0 114.099 -177.574 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -27.32 -77.73 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 128.203 2.601 . . . . 0.0 114.025 176.407 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -79.7 85.13 5.43 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 121.283 -0.886 . . . . 0.0 110.86 -172.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.1 t70 42.14 49.34 4.29 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 126.643 1.977 . . . . 0.0 111.501 177.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 62.11 4.93 1.32 Allowed 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 115.513 1.671 . . . . 0.0 115.513 175.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -99.05 103.73 15.7 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 119.911 1.232 . . . . 0.0 110.572 -178.239 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.7 m -93.36 141.52 14.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 121.455 0.645 . . . . 0.0 110.795 170.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -104.34 172.71 6.65 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 128.172 2.589 . . . . 0.0 105.622 166.594 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -54.28 -43.43 71.02 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-O 118.612 -0.709 . . . . 0.0 112.352 -169.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -54.79 -57.36 11.86 Favored 'General case' 0 C--N 1.338 0.107 0 CA-C-N 118.768 0.713 . . . . 0.0 110.542 -178.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.14 -52.32 65.83 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -176.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -47.05 -56.38 6.59 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.51 1.124 . . . . 0.0 111.127 177.107 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.9 tp -73.85 -39.76 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 CA-C-O 119.338 -0.363 . . . . 0.0 110.185 -171.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 76.4 m -52.59 -52.61 54.42 Favored 'General case' 0 C--N 1.341 0.196 0 C-N-CA 123.391 0.676 . . . . 0.0 109.274 173.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -53.64 -55.45 25.83 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.744 1.218 . . . . 0.0 110.739 175.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.06 -53.34 10.39 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.036 0.534 . . . . 0.0 111.23 173.646 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.58 -50.62 59.54 Favored Glycine 0 CA--C 1.526 0.729 0 C-N-CA 124.474 1.035 . . . . 0.0 111.43 178.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.42 -52.45 65.58 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 117.267 0.533 . . . . 0.0 110.719 -178.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.2 mp -70.07 -34.07 72.72 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 121.547 -0.72 . . . . 0.0 110.689 -177.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.7 -50.43 73.23 Favored 'General case' 0 N--CA 1.455 -0.186 0 O-C-N 121.785 -0.572 . . . . 0.0 110.582 173.04 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 66.5 mtp -48.47 -37.16 16.64 Favored 'General case' 0 C--N 1.341 0.205 0 CA-C-N 118.402 0.546 . . . . 0.0 111.333 175.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 92.9 mt -76.39 -65.4 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 C-N-CA 122.782 0.433 . . . . 0.0 110.126 179.109 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -77.07 -29.52 55.08 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 -168.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -91.15 24.7 2.76 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.108 0.963 . . . . 0.0 113.546 -167.543 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 . . . . . 0 CA--C 1.533 0.31 0 C-N-CA 126.017 1.727 . . . . 0.0 114.851 -169.876 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.457 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 25.2 mt -70.42 -43.83 77.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 174.258 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -40.93 -47.07 4.09 Favored Glycine 0 CA--C 1.527 0.81 0 C-N-CA 125.828 1.68 . . . . 0.0 112.236 170.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -53.25 -57.15 11.52 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.444 0.697 . . . . 0.0 109.271 176.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 78.5 mt -58.18 -47.05 84.63 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 122.861 0.464 . . . . 0.0 110.803 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 66.5 mt -52.16 -49.96 38.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 123.625 0.77 . . . . 0.0 109.918 177.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.92 -63.31 4.7 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 178.234 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.4 mp -52.65 -47.36 49.91 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.198 0 CA-C-O 117.737 -1.125 . . . . 0.0 111.032 -173.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -40.82 -71.04 0.09 Allowed 'General case' 0 C--N 1.342 0.242 0 CA-C-N 119.214 0.916 . . . . 0.0 109.414 176.069 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -79.18 -24.95 42.86 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 119.972 -0.691 . . . . 0.0 111.304 -169.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.45 -32.56 71.5 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 118.37 -1.332 . . . . 0.0 109.977 170.053 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -86.65 34.83 0.66 Allowed 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.913 1.685 . . . . 0.0 110.742 169.222 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' SER . . . . . 0.415 ' HA ' ' H ' ' B' ' 30' ' ' SER . 95.0 p -122.79 24.94 8.89 Favored 'General case' 0 CA--C 1.529 0.171 0 O-C-N 121.101 -0.999 . . . . 0.0 109.463 165.229 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.64 0 N-CA-C 107.328 -2.309 . . . . 0.0 107.328 179.89 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.401 0 CA-C-O 119.413 -0.327 . . . . 0.0 110.357 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -173.55 -154.44 0.07 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 127.122 2.169 . . . . 0.0 107.225 171.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.89 162.57 6.72 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 125.391 1.476 . . . . 0.0 109.831 169.373 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 5.7 mp -68.44 91.38 0.4 Allowed 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -168.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.415 ' H ' ' HA ' ' B' ' 20' ' ' SER . 4.5 m -51.81 65.96 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 129.522 3.129 . . . . 0.0 118.091 -170.412 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 26.9 mttm 53.23 -76.92 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 115.859 1.8 . . . . 0.0 115.859 165.285 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.13 -36.44 72.95 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 121.916 0.865 . . . . 0.0 109.847 177.325 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -60.36 -48.97 79.47 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.039 173.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 18.7 tp -64.96 -40.95 95.77 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 -177.053 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -51.15 -50.16 59.46 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.272 0.629 . . . . 0.0 110.107 170.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -55.59 -49.42 72.8 Favored 'General case' 0 C--N 1.339 0.137 0 CA-C-N 118.585 0.63 . . . . 0.0 111.01 174.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.75 -46.3 74.31 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 124.029 0.932 . . . . 0.0 109.845 -175.688 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' ILE . . . . . 0.411 HG22 HD12 ' B' ' 42' ' ' LEU . 1.2 pp -70.78 -36.06 63.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 O-C-N 121.956 -0.465 . . . . 0.0 111.839 177.24 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -56.56 -55.33 35.28 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 121.552 0.691 . . . . 0.0 109.353 176.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -92.28 -92.01 0.16 Allowed 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 126.538 1.935 . . . . 0.0 110.268 -169.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 41.3 mp0 -45.75 -51.89 11.89 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 124.892 1.277 . . . . 0.0 113.221 -171.016 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.411 HD12 HG22 ' B' ' 38' ' ' ILE . 9.1 mt -74.62 9.05 1.96 Allowed 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 113.731 1.011 . . . . 0.0 113.731 -171.566 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.17 95.0 1.23 Allowed 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 170.013 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 30.6 mm 69.63 -29.61 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 N-CA-C 115.33 1.604 . . . . 0.0 115.33 168.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.718 0 O-C-N 120.56 -1.338 . . . . 0.0 110.058 -171.989 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 58' ' ' ASP . . . . . 0.424 ' C ' ' H ' ' B' ' 60' ' ' LEU . 0.3 OUTLIER . . . . . 0 CA--C 1.508 -0.656 0 N-CA-C 115.754 1.761 . . . . 0.0 115.754 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.79 26.77 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.211 0 O-C-N 120.918 -1.114 . . . . 0.0 110.936 164.536 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.424 ' H ' ' C ' ' B' ' 58' ' ' ASP . 60.6 tp -47.26 -32.14 4.34 Favored 'General case' 0 C--N 1.343 0.325 0 O-C-N 118.542 -2.599 . . . . 0.0 110.601 169.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -36.66 -35.69 0.09 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 129.003 2.921 . . . . 0.0 110.544 167.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 11.8 ptp85 -42.16 -42.04 2.87 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.4 1.08 . . . . 0.0 111.965 176.057 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -43.87 -38.35 3.29 Favored 'General case' 0 C--N 1.34 0.153 0 C-N-CA 126.104 1.762 . . . . 0.0 112.262 178.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.78 54.52 1.5 Allowed 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.271 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 46.61 42.02 10.71 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.989 1.315 . . . . 0.0 112.673 172.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 56.25 28.38 13.18 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.865 1.266 . . . . 0.0 112.432 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -148.27 82.34 1.48 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 122.521 1.153 . . . . 0.0 109.077 -172.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 29.3 m -78.44 154.76 5.04 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.697 0 CA-C-N 114.462 -1.245 . . . . 0.0 113.885 -168.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -105.22 171.06 7.52 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 129.081 2.952 . . . . 0.0 107.453 168.158 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -48.44 -45.25 36.2 Favored 'General case' 0 C--N 1.343 0.285 0 C-N-CA 124.919 1.287 . . . . 0.0 112.854 -169.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -60.76 -55.44 33.15 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 -175.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -65.74 -49.85 66.91 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 -174.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -41.02 -53.85 2.9 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 126.033 1.733 . . . . 0.0 110.234 171.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 6.3 mm -65.04 -60.52 2.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-O 118.665 -0.683 . . . . 0.0 110.718 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 96.7 m -45.32 -48.47 13.16 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 122.687 1.232 . . . . 0.0 109.473 -174.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -56.54 -61.44 2.41 Favored 'General case' 0 N--CA 1.437 -1.077 0 C-N-CA 126.263 1.825 . . . . 0.0 112.42 174.115 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.0 -39.08 71.34 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 118.438 0.563 . . . . 0.0 110.466 -177.264 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.56 -51.36 59.29 Favored Glycine 0 CA--C 1.527 0.816 0 C-N-CA 124.847 1.213 . . . . 0.0 112.179 172.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.66 -51.09 64.27 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 117.017 0.409 . . . . 0.0 110.464 178.031 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.27 -44.58 91.28 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 120.49 0.186 . . . . 0.0 110.535 178.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.13 -47.63 68.52 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 124.063 0.945 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 63.8 mtm -55.41 -19.61 9.73 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 175.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 35.5 mm -89.15 -66.46 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-N 119.605 1.093 . . . . 0.0 109.428 173.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -83.47 -37.18 23.47 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 -169.049 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -90.81 27.38 1.8 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.992 1.717 . . . . 0.0 111.759 -169.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 . . . . . 0 N--CA 1.448 -0.533 0 CA-C-O 123.727 1.727 . . . . 0.0 115.131 -171.168 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 40.5 mm . . . . . 0 C--O 1.235 0.292 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.39 -50.91 28.43 Favored Glycine 0 CA--C 1.528 0.89 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 173.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 46.6 mt -62.23 -43.17 99.44 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 117.967 -1.016 . . . . 0.0 111.287 178.312 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.4 mt -58.16 -46.98 84.77 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 120.463 1.483 . . . . 0.0 110.153 -175.287 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 83.0 mt -68.33 -50.39 57.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 124.252 1.021 . . . . 0.0 109.986 177.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.09 -53.07 47.93 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 124.078 0.846 . . . . 0.0 112.088 -173.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.0 tt -65.48 -30.34 49.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 O-C-N 121.928 -0.748 . . . . 0.0 111.051 -174.115 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -44.65 -65.76 0.48 Allowed 'General case' 0 C--O 1.225 -0.234 0 C-N-CA 123.901 0.88 . . . . 0.0 113.091 -169.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -79.61 -8.21 59.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 118.856 -0.592 . . . . 0.0 111.759 178.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 tpmp? -71.12 -54.11 12.22 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 174.688 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -76.54 88.21 3.26 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 106.288 -1.745 . . . . 0.0 106.288 176.113 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.3 p . . . . . 0 C--N 1.324 -0.512 0 C-N-CA 128.892 2.877 . . . . 0.0 106.335 -169.908 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? . . . . . 0 N--CA 1.449 -0.477 0 CA-C-O 121.277 0.561 . . . . 0.0 110.21 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -142.93 -46.06 0.31 Allowed 'General case' 0 C--O 1.225 -0.2 0 C-N-CA 124.565 1.146 . . . . 0.0 109.99 -176.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.31 142.43 55.53 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 125.18 1.392 . . . . 0.0 112.064 -175.181 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.0 mt -67.75 82.67 0.19 Allowed 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 125.708 1.603 . . . . 0.0 109.416 -177.289 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.1 m -69.59 77.72 0.42 Allowed 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 125.205 1.402 . . . . 0.0 112.83 -169.536 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.284 0.1 OUTLIER 50.08 -72.68 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 128.68 2.792 . . . . 0.0 114.953 170.042 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.74 -25.7 68.04 Favored 'General case' 0 N--CA 1.453 -0.285 0 O-C-N 121.277 -0.889 . . . . 0.0 109.851 175.258 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -72.73 -46.25 54.51 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -56.62 -52.02 66.46 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 173.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.07 -38.54 57.52 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.784 0.834 . . . . 0.0 111.542 176.716 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -62.65 -59.39 4.97 Favored 'General case' 0 C--O 1.232 0.156 0 O-C-N 121.046 -1.034 . . . . 0.0 109.875 175.221 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.86 -55.42 14.36 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 124.542 1.137 . . . . 0.0 111.119 -175.357 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.8 tt -66.0 -44.9 92.04 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.534 -175.183 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -69.6 -47.13 64.56 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 -174.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -90.68 -53.13 4.54 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -169.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -91.0 -54.34 4.0 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 -165.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.0 mt -49.91 -75.88 0.03 OUTLIER 'General case' 0 C--O 1.233 0.208 0 N-CA-C 116.469 2.026 . . . . 0.0 116.469 -165.337 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 66.2 p -53.29 -18.89 2.74 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 116.032 1.864 . . . . 0.0 116.032 -166.168 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 23.8 pt . . . . . 0 N--CA 1.449 -0.478 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -175.244 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.5 tp . . . . . 0 N--CA 1.454 -0.225 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 44.3 tpp -58.64 -51.89 67.99 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 121.088 0.47 . . . . 0.0 110.255 177.468 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.88 -33.82 57.58 Favored 'General case' 0 C--N 1.333 -0.109 0 C-N-CA 123.801 0.84 . . . . 0.0 112.079 173.298 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.06 5.96 0.45 Allowed 'General case' 0 C--O 1.22 -0.484 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 175.545 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 60.9 tp -54.23 -21.23 8.5 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 119.702 -1.874 . . . . 0.0 111.112 167.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -60.34 -16.23 33.06 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 169.274 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . 0.253 0.0 OUTLIER -29.03 -27.6 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 129.136 2.974 . . . . 0.0 117.921 -168.646 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -44.12 -44.81 7.85 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 116.907 -1.521 . . . . 0.0 111.007 168.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.0 mttp 32.81 58.8 0.43 Allowed 'General case' 0 CA--C 1.535 0.391 0 O-C-N 124.614 1.196 . . . . 0.0 110.161 169.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.25 29.31 0.05 Allowed 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 125.606 1.562 . . . . 0.0 114.64 -165.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 63.37 153.24 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 128.201 2.6 . . . . 0.0 112.236 -175.314 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 37.46 49.98 1.04 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.853 1.661 . . . . 0.0 112.412 173.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 32.9 m -74.96 157.34 6.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-O 121.328 0.585 . . . . 0.0 110.721 -171.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -106.94 168.75 8.98 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.022 1.729 . . . . 0.0 110.834 -169.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -56.48 -37.27 70.13 Favored 'General case' 0 C--O 1.219 -0.542 0 C-N-CA 123.747 0.819 . . . . 0.0 111.697 -173.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.57 -57.03 14.12 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 119.513 1.052 . . . . 0.0 110.174 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -54.95 -59.99 3.98 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 -177.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -45.57 -60.74 2.02 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 126.087 1.755 . . . . 0.0 111.087 177.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 8.0 tp -68.87 -37.36 77.26 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.229 0 C-N-CA 123.768 0.827 . . . . 0.0 110.744 -170.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 56.9 m -63.54 -48.94 75.45 Favored 'General case' 0 CA--C 1.528 0.101 0 CA-C-N 118.603 0.638 . . . . 0.0 109.448 178.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -52.11 -56.73 12.58 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.481 0.712 . . . . 0.0 110.737 171.439 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.43 -37.88 27.28 Favored 'General case' 0 C--O 1.222 -0.392 0 C-N-CA 124.208 1.003 . . . . 0.0 111.436 174.229 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.4 -51.79 20.53 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.46 -1.056 . . . . 0.0 110.46 174.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.31 -55.97 25.71 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 117.781 0.791 . . . . 0.0 110.316 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 65.9 mt -51.88 -49.71 62.45 Favored 'General case' 0 C--O 1.223 -0.29 0 C-N-CA 123.31 0.644 . . . . 0.0 110.166 -176.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.415 ' HA ' ' CE1' ' A' ' 84' ' ' TYR . . . -73.2 -45.06 58.51 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 125.295 1.438 . . . . 0.0 111.372 -172.058 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -49.69 -53.11 26.41 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 173.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 92.6 mt -68.36 -58.04 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 O-C-N 124.594 1.184 . . . . 0.0 109.876 -175.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.415 ' CE1' ' HA ' ' A' ' 81' ' ' ALA 0.401 0.0 OUTLIER -71.61 -18.94 62.18 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 -169.377 . . . . . . . . 4 4 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 -90.98 -100.57 0.11 Allowed 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 104.293 -2.484 . . . . 0.0 104.293 166.332 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.519 -0.249 0 C-N-CA 129.254 3.022 . . . . 0.0 103.293 166.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.215 0 CA-C-O 119.374 -0.346 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 22.3 mt -58.36 -46.45 89.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 177.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.3 -50.26 47.57 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.301 -0.719 . . . . 0.0 111.301 175.492 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 47.9 tp -63.33 -55.91 20.76 Favored 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 121.768 -0.843 . . . . 0.0 110.263 -178.273 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 85.7 mt -63.59 -69.15 0.29 Allowed 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 -178.201 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 4.1 mm -90.54 -24.5 5.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-O 118.148 -0.929 . . . . 0.0 112.798 -169.036 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.23 -50.7 43.33 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 108.782 -1.727 . . . . 0.0 108.782 -179.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 32.2 mt -61.72 -50.22 81.14 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 C-N-CA 122.646 0.378 . . . . 0.0 111.363 175.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -28.94 -76.17 0.02 OUTLIER 'General case' 0 C--N 1.341 0.204 0 C-N-CA 126.325 1.85 . . . . 0.0 114.234 -166.277 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -76.16 -17.9 59.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.409 -172.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm -67.55 -35.56 79.29 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 118.765 0.711 . . . . 0.0 110.225 -173.393 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -74.88 72.72 2.09 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-O 123.142 1.449 . . . . 0.0 108.609 175.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 7.0 t -175.72 -31.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 128.005 2.522 . . . . 0.0 108.248 -168.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.762 0 N-CA-C 108.68 -1.768 . . . . 0.0 108.68 -173.375 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 21.7 ttpp . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 121.823 0.821 . . . . 0.0 108.869 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -53.62 -33.5 55.27 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.26 0.624 . . . . 0.0 110.831 170.199 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 5.3 p -74.43 148.08 41.45 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.372 1.069 . . . . 0.0 111.788 -177.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.465 ' N ' HD12 ' B' ' 29' ' ' LEU . 2.0 mp -85.54 138.72 32.01 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 104.912 -2.255 . . . . 0.0 104.912 169.514 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.31 165.59 20.22 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 119.095 -1.042 . . . . 0.0 108.915 170.197 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.518 ' HZ2' ' CG ' ' B' ' 61' ' ' ASP . 31.3 mttm -75.84 62.52 1.57 Allowed 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 121.958 0.885 . . . . 0.0 110.191 178.341 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -163.31 -58.36 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 126.942 2.097 . . . . 0.0 105.411 -175.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -56.23 -45.38 79.97 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 169.103 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 53.4 tp -56.91 -43.08 81.01 Favored 'General case' 0 C--N 1.343 0.322 0 C-N-CA 120.649 -0.42 . . . . 0.0 111.194 -179.164 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.25 -29.43 9.55 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.457 0.703 . . . . 0.0 111.847 178.511 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -82.5 -59.61 2.47 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 118.631 0.651 . . . . 0.0 109.987 178.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 tt -42.1 -53.6 3.9 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 125.302 1.441 . . . . 0.0 111.017 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 13.4 tt -61.21 -24.61 33.83 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.671 0 CA-C-N 114.779 -1.1 . . . . 0.0 112.481 -169.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -84.46 -59.87 2.25 Favored 'General case' 0 N--CA 1.45 -0.462 0 O-C-N 121.627 -0.67 . . . . 0.0 110.902 -177.33 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 13.2 mtmm -93.13 -61.88 1.49 Allowed 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 121.422 0.63 . . . . 0.0 112.416 -171.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 39.0 mp0 -55.61 -21.71 18.98 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 126.924 2.089 . . . . 0.0 116.026 -166.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 68.6 mt -65.13 27.01 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 116.699 2.111 . . . . 0.0 116.699 -176.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 39.6 m 69.49 -80.61 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.159 0 O-C-N 120.44 -1.413 . . . . 0.0 112.125 168.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 20.6 tt -59.51 -41.36 84.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 169.297 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.955 174.575 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 58' ' ' ASP . . . . . 0.48 ' C ' ' H ' ' B' ' 60' ' ' LEU . 73.9 m-20 . . . . . 0 N--CA 1.466 0.355 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -64.24 26.41 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.569 1.148 . . . . 0.0 111.078 163.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.48 ' H ' ' C ' ' B' ' 58' ' ' ASP . 3.4 pp -41.54 -27.42 0.09 Allowed 'General case' 0 C--N 1.345 0.405 0 C-N-CA 130.891 3.676 . . . . 0.0 114.604 -169.537 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.518 ' CG ' ' HZ2' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -44.44 -24.17 0.16 Allowed 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.998 1.319 . . . . 0.0 111.58 166.657 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 25.2 ttp85 -47.94 -13.16 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 127.585 2.354 . . . . 0.0 112.994 169.13 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -31.79 -44.45 0.08 Allowed 'General case' 0 C--N 1.343 0.299 0 C-N-CA 126.479 1.912 . . . . 0.0 110.834 165.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 106.99 -29.06 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 129.896 3.278 . . . . 0.0 110.848 173.153 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.3 9.93 3.46 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.281 1.432 . . . . 0.0 112.063 -168.782 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -156.42 163.44 39.45 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 125.729 1.611 . . . . 0.0 107.607 -178.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -121.1 151.3 40.02 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 168.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 6.7 t -63.03 102.27 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.186 0 O-C-N 123.668 0.605 . . . . 0.0 110.627 -167.288 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -100.34 -179.26 4.06 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 169.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -55.09 -39.66 69.55 Favored 'General case' 0 N--CA 1.449 -0.504 0 O-C-N 121.941 -0.474 . . . . 0.0 110.84 -176.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.59 -57.51 11.65 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 118.298 0.499 . . . . 0.0 111.803 175.076 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 57.1 mp0 -56.41 -54.42 45.83 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 -177.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -47.23 -52.24 16.51 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.349 1.06 . . . . 0.0 110.656 176.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 2.6 mm -55.15 -46.59 77.69 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.426 0 CA-C-O 117.334 -1.317 . . . . 0.0 110.88 -175.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 3.6 m -30.78 -61.02 0.19 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.603 1.161 . . . . 0.0 113.803 -169.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.15 -43.48 64.58 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 119.018 -0.515 . . . . 0.0 111.808 -179.432 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 4.5 mp -51.34 -47.92 62.58 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-N 119.004 0.82 . . . . 0.0 110.294 174.366 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.77 -57.3 20.51 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 177.124 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.81 -45.34 59.39 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.128 0.571 . . . . 0.0 112.044 -178.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 61.3 mt -81.27 -39.97 24.43 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.212 0.605 . . . . 0.0 110.897 -176.577 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.19 -36.08 67.98 Favored 'General case' 0 CA--C 1.521 -0.154 0 C-N-CA 125.251 1.421 . . . . 0.0 110.847 176.007 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.27 -43.15 1.09 Allowed 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.989 0.916 . . . . 0.0 110.1 169.402 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.9 mp -89.72 -70.23 0.56 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 C-N-CA 124.07 0.948 . . . . 0.0 109.669 173.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -60.94 -25.54 66.86 Favored 'General case' 0 C--N 1.341 0.213 0 N-CA-C 116.188 1.921 . . . . 0.0 116.188 -165.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -60.29 -59.25 5.71 Favored 'General case' 0 C--O 1.226 -0.146 0 CA-C-N 119.498 1.045 . . . . 0.0 110.108 -172.389 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.531 0.243 0 C-N-CA 127.132 2.173 . . . . 0.0 108.151 175.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 65.4 mt . . . . . 0 CA--C 1.533 0.29 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.71 -35.11 11.31 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-O 118.001 -1.444 . . . . 0.0 113.414 171.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 22.5 mt -58.59 -34.59 71.27 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 120.556 2.178 . . . . 0.0 111.71 175.507 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mp -63.56 -58.23 7.63 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.585 0.63 . . . . 0.0 109.665 -175.027 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.3 mt -68.51 -29.71 44.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-N 118.414 0.552 . . . . 0.0 110.839 173.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.93 -62.88 5.73 Favored Glycine 0 C--O 1.222 -0.602 0 C-N-CA 124.822 1.201 . . . . 0.0 111.223 -178.422 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 65.8 mt -52.38 -45.88 45.75 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-N 118.01 0.905 . . . . 0.0 109.961 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -49.49 -73.99 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.582 1.153 . . . . 0.0 110.883 171.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -79.52 0.02 31.46 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 116.021 1.86 . . . . 0.0 116.021 -172.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.6 tttt -51.91 -53.84 36.27 Favored 'General case' 0 CA--C 1.527 0.085 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 167.316 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -68.09 -27.19 66.28 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.498 -0.774 . . . . 0.0 112.022 -176.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.4 m . . . . . 0 CA--C 1.53 0.187 0 CA-C-O 118.896 -0.573 . . . . 0.0 112.439 170.697 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.537 0.445 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.473 ' CG ' ' H ' ' A' ' 28' ' ' THR . 1.9 p80 -58.14 -90.26 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 117.062 2.245 . . . . 0.0 117.062 -169.045 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.473 ' H ' ' CG ' ' A' ' 27' ' ' HIS . 9.6 p -153.75 171.55 18.7 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 126.273 1.829 . . . . 0.0 107.162 -165.571 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.1 pp -103.84 142.02 35.11 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 104.589 -2.375 . . . . 0.0 104.589 165.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 97.2 p -83.99 46.57 1.2 Allowed 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.117 -0.989 . . . . 0.0 113.282 -165.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.318 0.0 OUTLIER 64.2 -48.19 0.29 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 127.672 2.389 . . . . 0.0 116.913 173.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.08 -47.24 83.81 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 120.784 1.629 . . . . 0.0 109.012 -176.188 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -51.55 -29.26 16.36 Favored 'General case' 0 N--CA 1.44 -0.946 0 C-N-CA 125.178 1.391 . . . . 0.0 112.174 175.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.69 -37.09 77.87 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.454 -0.779 . . . . 0.0 109.893 176.542 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 43.1 mmtt -66.27 -15.83 63.53 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.618 -0.676 . . . . 0.0 112.46 175.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -90.64 -43.73 9.97 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 122.143 0.973 . . . . 0.0 110.267 174.203 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.7 tt -49.36 -54.98 14.51 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.409 1.884 . . . . 0.0 110.399 172.216 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 15.0 tt -55.42 -46.14 78.47 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 O-C-N 121.682 -0.636 . . . . 0.0 111.935 -176.059 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.9 mm100 -58.82 -57.65 12.1 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 122.552 0.341 . . . . 0.0 111.147 -172.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.9 mtmm -91.55 -64.74 1.08 Allowed 'General case' 0 N--CA 1.457 -0.125 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 -174.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.2 mp0 -60.65 -44.86 95.93 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 118.583 -0.723 . . . . 0.0 111.809 -171.283 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.3 mt -79.66 14.96 1.48 Allowed 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.695 1.134 . . . . 0.0 113.076 174.213 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m 72.0 -70.06 0.17 Allowed 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 125.187 1.395 . . . . 0.0 114.406 167.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 34.4 mt . . . . . 0 CA--C 1.534 0.349 0 C-N-CA 128.982 2.913 . . . . 0.0 109.991 -169.346 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 CA--C 1.536 0.432 0 CA-C-O 118.919 -0.562 . . . . 0.0 111.686 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 30.8 mmt -54.78 -55.32 31.35 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 119.286 0.948 . . . . 0.0 110.498 176.008 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -48.38 -58.6 4.37 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.964 0.888 . . . . 0.0 110.401 173.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.3 5.39 1.74 Allowed 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 118.466 -1.293 . . . . 0.0 112.997 -172.623 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 43.6 tp -56.69 -20.33 21.19 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 120.369 -1.457 . . . . 0.0 109.457 166.119 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -48.17 -26.69 2.01 Favored 'General case' 0 C--N 1.345 0.391 0 C-N-CA 124.073 0.949 . . . . 0.0 112.723 168.329 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.31 -21.34 14.43 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.291 1.436 . . . . 0.0 112.953 174.578 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -27.66 -75.71 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 126.663 1.985 . . . . 0.0 115.953 -169.326 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.92 43.5 2.26 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 119.606 1.094 . . . . 0.0 108.16 168.643 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.9 t0 8.79 53.74 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 130.706 3.602 . . . . 0.0 115.954 -168.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 173.18 175.48 0.11 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 128.528 2.731 . . . . 0.0 106.05 175.317 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 33.92 78.03 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 126.895 2.078 . . . . 0.0 113.173 169.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.1 m -91.17 127.84 43.32 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 174.451 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -93.66 171.03 9.14 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 126.987 2.115 . . . . 0.0 109.834 -179.175 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -51.83 -48.49 63.91 Favored 'General case' 0 C--O 1.217 -0.623 0 C-N-CA 123.716 0.806 . . . . 0.0 110.915 -175.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.65 -51.0 30.54 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.721 0.808 . . . . 0.0 111.748 177.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -60.4 -58.79 6.98 Favored 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 121.689 -0.632 . . . . 0.0 109.612 177.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -51.41 -44.18 62.17 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.378 1.071 . . . . 0.0 112.113 -177.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 8.7 tp -78.3 -39.8 24.67 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 O-C-N 121.418 -0.801 . . . . 0.0 108.847 -173.027 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 42.9 m -50.58 -47.77 57.9 Favored 'General case' 0 C--N 1.345 0.371 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 169.31 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -50.16 -67.52 0.25 Allowed 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 124.828 1.251 . . . . 0.0 110.968 175.216 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -38.87 -48.41 1.55 Allowed 'General case' 0 C--O 1.223 -0.303 0 C-N-CA 124.716 1.206 . . . . 0.0 111.863 171.246 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.49 -56.41 23.72 Favored Glycine 0 CA--C 1.525 0.698 0 C-N-CA 124.63 1.11 . . . . 0.0 111.457 178.24 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.39 -56.54 20.23 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -178.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -53.9 -49.74 67.92 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 122.978 0.511 . . . . 0.0 110.204 -177.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.71 -53.15 42.42 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-N 118.723 0.692 . . . . 0.0 111.255 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 71.0 mtp -55.32 -29.58 58.56 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 118.438 0.563 . . . . 0.0 112.413 177.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 71.8 mt -91.17 -38.08 10.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 C-N-CA 125.616 1.567 . . . . 0.0 112.486 -169.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 14.6 p90 -93.85 -48.63 6.2 Favored 'General case' 0 C--N 1.341 0.211 0 C-N-CA 124.134 0.974 . . . . 0.0 113.007 174.424 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -78.36 27.39 0.2 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.299 1.439 . . . . 0.0 113.005 -170.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 . . . . . 0 CA--C 1.54 0.585 0 C-N-CA 129.438 3.095 . . . . 0.0 113.616 -177.298 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.403 0 CA-C-O 121.25 0.548 . . . . 0.0 110.764 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 9' ' ' ILE . . . . . 0.43 HD12 ' H ' ' B' ' 9' ' ' ILE . 4.5 mp -60.23 -47.08 93.6 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 173.435 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -44.8 -49.19 9.05 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 124.309 0.957 . . . . 0.0 112.147 172.086 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 63.1 tp -62.72 -47.97 81.27 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 117.93 0.865 . . . . 0.0 110.215 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 96.1 mt -57.06 -44.7 83.26 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 118.412 0.551 . . . . 0.0 111.104 177.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 94.4 mt -60.25 -42.5 90.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 123.278 0.631 . . . . 0.0 109.842 174.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.37 -61.3 7.37 Favored Glycine 0 CA--C 1.524 0.613 0 C-N-CA 124.655 1.122 . . . . 0.0 110.54 176.101 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 35.8 mm -53.11 -52.81 26.55 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 CA-C-N 117.786 0.793 . . . . 0.0 109.716 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -42.21 -65.44 0.46 Allowed 'General case' 0 C--N 1.339 0.146 0 C-N-CA 123.693 0.797 . . . . 0.0 110.87 172.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . 0.4 1.1 m-70 -79.53 3.27 19.28 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 115.559 1.688 . . . . 0.0 115.559 -177.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.33 -32.49 62.83 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 106.037 -1.838 . . . . 0.0 106.037 163.684 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -102.28 42.0 1.18 Allowed 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 126.417 1.887 . . . . 0.0 109.925 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 57.3 m -67.59 -14.89 63.33 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 116.409 2.003 . . . . 0.0 116.409 -172.535 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.667 0 N-CA-C 105.038 -3.225 . . . . 0.0 105.038 -165.386 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.307 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 1.1 p80 179.33 -36.06 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.337 1.055 . . . . 0.0 113.569 174.106 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 3.1 p -136.14 170.76 15.5 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 -169.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 11.9 mt -73.35 73.94 1.35 Allowed 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.085 -1.079 . . . . 0.0 108.085 169.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 47.1 m -67.99 72.34 0.17 Allowed 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.771 1.228 . . . . 0.0 113.165 -174.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 21.8 mttm 67.51 -70.25 0.12 Allowed 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 127.211 2.204 . . . . 0.0 113.476 168.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.498 ' H ' ' HD3' ' B' ' 32' ' ' LYS . 0.0 OUTLIER -62.67 -50.53 70.82 Favored 'General case' 0 C--O 1.226 -0.181 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 -174.534 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 33' ' ' GLU . . . . . 0.441 ' CD ' ' H ' ' B' ' 33' ' ' GLU . 0.4 OUTLIER -47.6 -44.06 26.23 Favored 'General case' 0 N--CA 1.462 0.136 0 C-N-CA 125.484 1.513 . . . . 0.0 110.821 172.183 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.4 -45.97 85.3 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 -179.182 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 39.9 mmtt -66.64 -30.15 70.35 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 120.864 -1.148 . . . . 0.0 112.363 176.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -50.5 -43.35 55.6 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.086 1.754 . . . . 0.0 108.577 168.501 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.35 -58.86 4.02 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.301 1.441 . . . . 0.0 111.321 171.224 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . 0.255 1.4 pt -56.49 -46.02 82.19 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.561 0 CA-C-N 118.356 0.525 . . . . 0.0 112.409 -168.304 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -68.92 -40.68 78.91 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 118.51 -1.276 . . . . 0.0 109.715 -169.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -92.83 -86.77 0.24 Allowed 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 -172.353 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 37.1 mp0 -78.11 -27.81 48.44 Favored 'General case' 0 C--N 1.341 0.199 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 -165.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -29.22 -61.85 0.13 Allowed 'General case' 0 C--N 1.34 0.18 0 N-CA-C 117.218 2.303 . . . . 0.0 117.218 -168.335 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 12.3 t -151.48 129.98 12.18 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 -166.307 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 6.0 pt -140.19 -112.3 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 N-CA-C 106.876 -1.527 . . . . 0.0 106.876 169.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.887 0 C-N-CA 125.365 1.46 . . . . 0.0 112.363 177.203 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.469 0.476 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -65.93 -1.67 3.23 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.715 0.806 . . . . 0.0 111.366 167.308 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -56.85 -6.53 0.34 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.489 1.516 . . . . 0.0 114.946 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -52.46 -24.55 8.14 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 122.258 1.027 . . . . 0.0 109.448 163.467 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 35.1 ttm-85 -47.55 -27.99 2.06 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 125.411 1.484 . . . . 0.0 112.896 170.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -47.85 -34.89 9.42 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.258 0.623 . . . . 0.0 112.09 173.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -119.07 50.73 1.19 Allowed 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 107.818 -1.179 . . . . 0.0 107.818 175.581 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 16.3 t0 28.93 51.92 0.07 Allowed 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 126.394 1.878 . . . . 0.0 112.873 -175.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 57.9 29.63 17.88 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.451 -0.78 . . . . 0.0 111.03 168.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -127.87 57.56 1.53 Allowed 'General case' 0 C--O 1.234 0.288 0 C-N-CA 124.985 1.314 . . . . 0.0 109.293 -169.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 32.1 m -91.24 132.38 35.91 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 CA-C-O 121.158 0.504 . . . . 0.0 111.163 -169.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -85.8 175.52 8.63 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.189 1.396 . . . . 0.0 107.696 168.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -52.81 -44.7 66.84 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 119.372 0.987 . . . . 0.0 111.939 -172.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -54.93 -50.94 67.62 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 118.291 0.496 . . . . 0.0 109.766 178.055 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -68.59 -47.4 66.84 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.231 1.012 . . . . 0.0 109.805 -172.273 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -49.66 -52.12 33.2 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 124.558 1.143 . . . . 0.0 109.664 169.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 11.8 mm -61.56 -51.7 69.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 CA-C-O 118.688 -0.673 . . . . 0.0 110.096 -178.311 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 90.5 m -49.8 -49.97 46.64 Favored 'General case' 0 CA--C 1.523 -0.064 0 CA-C-N 119.397 0.999 . . . . 0.0 110.117 177.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -56.82 -53.93 52.18 Favored 'General case' 0 N--CA 1.445 -0.689 0 C-N-CA 124.549 1.14 . . . . 0.0 111.372 179.183 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 78.0 mt -54.53 -58.97 5.42 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 173.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -34.32 -51.56 0.72 Allowed Glycine 0 CA--C 1.528 0.854 0 C-N-CA 127.731 2.586 . . . . 0.0 113.918 173.424 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.23 -42.02 76.64 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 117.823 0.812 . . . . 0.0 111.444 -179.189 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 48.7 mt -82.77 -29.58 29.56 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.095 0.558 . . . . 0.0 110.578 178.613 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -49.67 -57.81 6.51 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 125.411 1.484 . . . . 0.0 113.229 -168.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 67.9 mmm -66.6 -12.57 58.58 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.771 0.714 . . . . 0.0 112.786 -178.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 36.0 mt -84.32 -62.37 1.5 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 171.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -90.25 -43.36 10.44 Favored 'General case' 0 C--N 1.339 0.109 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 -169.434 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -87.04 27.91 0.97 Allowed 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 127.034 2.134 . . . . 0.0 112.911 -166.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 . . . . . 0 CA--C 1.538 0.512 0 CA-C-N 119.355 0.979 . . . . 0.0 111.629 172.788 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 22.5 mm . . . . . 0 CA--C 1.531 0.236 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -51.65 -53.57 28.6 Favored Glycine 0 CA--C 1.526 0.779 0 C-N-CA 124.357 0.98 . . . . 0.0 111.648 174.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -58.4 -55.23 37.73 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.01 0.905 . . . . 0.0 109.566 -177.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 12' ' ' LEU . 3.8 mm? -59.21 -52.16 66.9 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.645 0.378 . . . . 0.0 111.083 -176.122 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 49.7 mt -61.8 -42.82 95.97 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 118.121 0.419 . . . . 0.0 110.02 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.67 -59.61 9.91 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 111.696 -0.562 . . . . 0.0 111.696 -178.369 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.1 mt -53.73 -41.96 49.68 Favored 'Isoleucine or valine' 0 C--N 1.341 0.205 0 CA-C-O 118.143 -0.932 . . . . 0.0 111.869 -169.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -32.14 -68.36 0.09 Allowed 'General case' 0 C--N 1.342 0.259 0 C-N-CA 124.828 1.251 . . . . 0.0 110.079 172.293 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -91.1 10.41 26.97 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -169.571 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.6 tttt -53.18 -42.03 65.82 Favored 'General case' 0 C--N 1.342 0.251 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 170.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -73.42 83.07 1.45 Allowed 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 169.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.2 m . . . . . 0 CA--C 1.541 0.614 1 C-N-CA 131.898 4.079 . . . . 0.0 111.057 -172.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.8 tttp . . . . . 0 CA--C 1.531 0.231 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 22.0 p80 179.07 151.17 0.32 Allowed 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 124.513 1.125 . . . . 0.0 109.592 166.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.76 154.61 32.77 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.518 1.127 . . . . 0.0 109.27 168.401 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -104.66 -177.42 3.36 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 167.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 79.0 p -113.04 162.03 16.38 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 168.49 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.54 -28.27 53.79 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -171.623 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.2 pttm -66.26 -29.97 70.32 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 118.288 -0.863 . . . . 0.0 112.4 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -70.73 -51.92 24.24 Favored 'General case' 0 C--N 1.342 0.242 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 169.583 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -50.45 -46.59 56.79 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.433 -175.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -41.72 -43.03 2.74 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.845 1.658 . . . . 0.0 112.5 174.284 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.08 -41.85 27.75 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 117.873 0.306 . . . . 0.0 111.229 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.9 tt -57.73 -59.9 4.5 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 125.307 1.443 . . . . 0.0 110.459 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.416 HG23 ' N ' ' A' ' 39' ' ' GLN . 18.2 tt -54.26 -57.74 5.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 C-N-CA 124.599 1.159 . . . . 0.0 111.571 -169.494 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.416 ' N ' HG23 ' A' ' 38' ' ' ILE . 0.4 OUTLIER -81.59 -31.69 32.43 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -168.555 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.6 mtmm -77.88 -55.58 5.19 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 118.335 -1.346 . . . . 0.0 110.001 -178.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -91.99 -57.44 2.72 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -169.196 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -70.79 -56.98 5.12 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 -167.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 68.7 p -76.3 101.17 5.37 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -168.07 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 19.2 mt . . . . . 0 CA--C 1.536 0.432 0 N-CA-C 106.508 -1.664 . . . . 0.0 106.508 167.089 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.1 tp . . . . . 0 CA--C 1.531 0.239 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 50.8 ttm -58.66 -53.35 59.29 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 177.298 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -53.69 -43.87 69.27 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.348 1.859 . . . . 0.0 110.83 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.401 ' HA ' ' CD1' ' A' ' 76' ' ' PHE . 10.6 t70 -56.02 -70.83 0.1 Allowed 'General case' 0 C--O 1.224 -0.273 0 CA-C-O 121.25 0.548 . . . . 0.0 110.632 170.012 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 97.2 mt -55.73 -39.07 70.61 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 123.929 0.892 . . . . 0.0 112.628 -169.376 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -45.1 -34.55 2.65 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 123.85 0.86 . . . . 0.0 111.844 174.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 26.5 ptt-85 -41.94 -40.03 2.04 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.79 1.236 . . . . 0.0 114.297 -175.584 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -43.75 24.08 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.812 1 C-N-CA 133.414 4.686 . . . . 0.0 120.787 -168.358 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -88.31 -8.09 55.7 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 120.54 -1.35 . . . . 0.0 112.505 -169.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -105.72 -63.52 1.24 Allowed 'General case' 0 C--N 1.342 0.275 0 CA-C-N 119.498 1.045 . . . . 0.0 109.089 173.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -154.08 -61.53 0.13 Allowed 'General case' 0 CA--C 1.522 -0.096 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -169.166 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -164.27 -59.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -168.21 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.4 p -160.49 83.89 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 124.472 1.109 . . . . 0.0 110.13 168.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -97.34 174.89 6.47 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.818 2.047 . . . . 0.0 108.985 168.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -53.47 -53.58 49.29 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 120.289 1.404 . . . . 0.0 111.235 -176.094 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -47.41 -37.75 12.02 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 124.171 0.988 . . . . 0.0 111.294 175.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -77.2 -65.72 0.92 Allowed 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 -176.148 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -36.52 -56.26 0.81 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.991 2.117 . . . . 0.0 112.658 173.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 10.1 tp -60.53 -25.48 34.7 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 C-N-CA 123.56 0.744 . . . . 0.0 112.301 -175.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 94.8 m -49.17 -64.8 0.7 Allowed 'General case' 0 C--N 1.342 0.282 0 C-N-CA 124.063 0.945 . . . . 0.0 111.439 -170.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.401 ' CD1' ' HA ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER -73.15 -40.31 64.97 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.074 -176.335 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -37.62 -48.52 1.04 Allowed 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.853 0.861 . . . . 0.0 111.025 169.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -51.6 -62.45 5.52 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 123.616 0.627 . . . . 0.0 112.608 173.104 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.24 -48.44 81.44 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.817 0.818 . . . . 0.0 110.822 -175.105 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -54.93 -49.56 71.02 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 124.089 0.956 . . . . 0.0 109.613 177.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.9 -54.22 49.08 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 119.224 0.92 . . . . 0.0 110.707 174.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 11.6 tmm? -44.76 -50.6 10.02 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.587 1.555 . . . . 0.0 110.3 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 84.1 mt -80.91 -54.75 9.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 123.887 0.875 . . . . 0.0 111.261 -173.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . 0.351 0.1 OUTLIER -73.13 -27.11 61.49 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -168.653 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -70.29 -45.35 66.49 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 118.795 -1.162 . . . . 0.0 111.666 -169.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 . . . . . 0 C--N 1.332 -0.195 0 C-N-CA 129.931 3.292 . . . . 0.0 104.622 -175.595 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.204 0 CA-C-O 120.621 0.248 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 96.4 mt -54.46 -45.22 69.95 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 175.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.68 -44.33 23.17 Favored Glycine 0 CA--C 1.522 0.499 0 C-N-CA 126.619 2.056 . . . . 0.0 112.186 175.367 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -62.65 -49.59 74.55 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 118.939 1.37 . . . . 0.0 110.124 176.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 64.1 mt -57.59 -42.6 83.47 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 120.69 0.281 . . . . 0.0 110.32 179.07 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 82.2 mt -63.76 -42.57 96.38 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 C-N-CA 123.403 0.681 . . . . 0.0 109.648 174.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -41.15 -66.67 0.88 Allowed Glycine 0 C--N 1.334 0.442 0 C-N-CA 126.242 1.877 . . . . 0.0 109.58 169.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 29.5 mm -60.48 -33.86 55.92 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 123.976 0.91 . . . . 0.0 110.999 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -51.7 -48.12 63.66 Favored 'General case' 0 C--O 1.225 -0.216 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 178.491 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . 0.31 0.1 OUTLIER -93.52 21.79 5.94 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 115.919 1.822 . . . . 0.0 115.919 169.669 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -61.78 -33.62 74.42 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 104.728 -2.323 . . . . 0.0 104.728 163.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' TYR . . . . . 0.527 ' CE1' ' CB ' ' B' ' 37' ' ' LEU . 81.2 m-85 -65.53 108.82 2.14 Favored 'General case' 0 N--CA 1.439 -0.984 0 N-CA-C 105.604 -1.999 . . . . 0.0 105.604 164.785 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 19.1 m 89.48 12.99 0.06 Allowed 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 127.685 2.394 . . . . 0.0 112.577 -168.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 C-N-CA 125.236 1.398 . . . . 0.0 114.981 169.626 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? . . . . . 0 N--CA 1.45 -0.47 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 21.5 m170 -75.3 64.49 1.5 Allowed 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 171.007 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 159.61 115.52 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 131.565 3.946 . . . . 0.0 105.025 -176.455 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -94.61 129.24 41.54 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 -168.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 70.7 m -89.17 163.48 15.42 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 123.281 0.632 . . . . 0.0 109.426 175.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -45.25 -43.26 10.27 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -53.75 53.71 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 122.632 0.373 . . . . 0.0 110.965 -174.393 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -53.84 -49.1 69.19 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 170.483 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.24 -43.45 64.33 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 111.949 0.352 . . . . 0.0 111.949 -175.192 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.18 -23.37 3.26 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.19 0.996 . . . . 0.0 112.634 179.068 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -55.1 15.06 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 119.538 1.063 . . . . 0.0 111.28 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.527 ' CB ' ' CE1' ' B' ' 19' ' ' TYR 0.287 0.4 OUTLIER -90.93 -39.82 12.06 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -169.209 . . . . . . . . 4 4 . 1 . 005 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 13.9 pt -53.62 -35.36 25.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -167.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -54.23 -27.87 37.51 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 178.675 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 44.1 tttm -81.27 -58.81 2.88 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 122.795 0.438 . . . . 0.0 110.08 170.068 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -68.28 -25.94 65.4 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 114.85 1.426 . . . . 0.0 114.85 -166.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 96.7 mt -69.34 26.78 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.361 1.464 . . . . 0.0 113.3 175.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -54.56 9.09 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 128.745 2.818 . . . . 0.0 118.265 -167.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 5.4 mt 74.52 -51.19 0.22 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.177 0 C-N-CA 128.912 2.885 . . . . 0.0 113.802 167.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.59 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -169.561 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 t70 . . . . . 0 CA--C 1.533 0.323 0 CA-C-O 121.338 0.59 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.97 -15.34 60.18 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -172.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 23.4 tp -66.84 -61.21 2.07 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 124.401 1.081 . . . . 0.0 109.835 -175.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -52.26 -43.26 64.27 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 122.579 0.352 . . . . 0.0 110.906 -171.047 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' ARG . . . . . 0.449 ' CD ' HG22 ' B' ' 68' ' ' VAL . 5.5 ptt-85 -78.03 -99.6 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.0 -0.545 . . . . 0.0 112.061 -174.666 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -86.55 0.55 54.12 Favored 'General case' 0 C--O 1.224 -0.246 0 O-C-N 121.057 -1.027 . . . . 0.0 113.242 -167.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 14.8 mmtm 65.77 51.13 1.46 Allowed 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 -169.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . 0.33 6.4 t0 60.48 97.84 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 128.575 2.75 . . . . 0.0 114.6 -169.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -178.15 -164.63 0.08 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.165 1.386 . . . . 0.0 108.942 174.427 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -74.28 176.14 6.95 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.642 0.777 . . . . 0.0 109.522 -178.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.449 HG22 ' CD ' ' B' ' 62' ' ' ARG . 5.2 t -128.88 125.81 63.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -167.702 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -94.04 171.2 9.0 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.033 0.933 . . . . 0.0 110.735 169.213 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -57.08 -48.77 77.79 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-O 119.229 -0.415 . . . . 0.0 110.43 -177.06 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 7.9 tm0? -52.57 -51.21 60.85 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -54.93 -62.96 1.32 Allowed 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 118.205 0.457 . . . . 0.0 110.218 176.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -43.64 -58.33 2.72 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.961 0.904 . . . . 0.0 110.639 -179.122 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 11.3 tp -69.96 -41.33 79.39 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 O-C-N 122.119 -0.363 . . . . 0.0 110.346 -170.229 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 87.3 m -63.73 -47.48 80.89 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 -178.267 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -58.18 -60.33 3.91 Favored 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 125.577 1.551 . . . . 0.0 110.883 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 22.7 mt -59.02 -36.73 75.47 Favored 'General case' 0 C--O 1.225 -0.196 0 O-C-N 122.096 -0.378 . . . . 0.0 110.366 177.366 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.85 -48.69 76.45 Favored Glycine 0 CA--C 1.526 0.72 0 C-N-CA 124.048 0.833 . . . . 0.0 111.203 174.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.12 -49.6 73.76 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 117.811 0.806 . . . . 0.0 109.856 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 46.1 mt -57.52 -47.28 82.39 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 178.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.9 -49.68 76.72 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.198 0.999 . . . . 0.0 110.705 178.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 30.1 ttp -50.78 -55.4 16.96 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.892 0.877 . . . . 0.0 109.879 175.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 89.0 mt -58.27 -54.24 35.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 123.086 0.555 . . . . 0.0 110.064 -178.519 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . 0.351 2.0 p90 -81.61 -6.37 58.94 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 -173.406 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -85.34 -108.21 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 105.791 -1.929 . . . . 0.0 105.791 166.042 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 . . . . . 0 C--O 1.236 0.361 0 C-N-CA 127.552 2.341 . . . . 0.0 108.711 168.334 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 93.1 mt . . . . . 0 CA--C 1.533 0.325 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.6 -51.26 12.8 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 124.459 1.028 . . . . 0.0 111.924 176.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.1 tt -57.52 -52.61 64.69 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.686 0.794 . . . . 0.0 110.244 178.033 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.2 mt -60.21 -48.09 83.22 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 122.72 0.408 . . . . 0.0 111.329 -176.265 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.3 mp -66.17 -39.4 84.24 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 177.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.07 -56.7 17.66 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.005 -1.238 . . . . 0.0 110.005 175.289 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.5 mt -59.38 -47.46 90.52 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 123.014 0.525 . . . . 0.0 110.277 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -45.61 -61.93 1.5 Allowed 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 119.001 0.819 . . . . 0.0 111.461 170.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . 0.284 0.1 OUTLIER -80.94 -36.87 30.4 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 -167.437 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -33.77 67.01 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 120.463 1.483 . . . . 0.0 112.201 -170.389 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -66.14 -4.19 7.03 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 112.856 0.688 . . . . 0.0 112.856 178.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.8 m . . . . . 0 CA--C 1.538 0.481 0 O-C-N 121.624 -0.672 . . . . 0.0 110.939 167.787 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? . . . . . 0 CA--C 1.534 0.356 0 CA-C-O 121.714 0.769 . . . . 0.0 110.183 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 52.5 m170 -80.1 -39.19 30.12 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 124.36 1.064 . . . . 0.0 109.419 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.54 -178.04 5.63 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 128.034 2.534 . . . . 0.0 108.008 167.487 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.6 mp -138.09 132.21 31.7 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 119.423 1.01 . . . . 0.0 108.601 169.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.0 p -81.92 58.66 3.98 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 121.71 -0.619 . . . . 0.0 112.521 -169.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.4 ' NZ ' ' OE2' ' A' ' 67' ' ' GLU . 14.3 mtmm 61.86 -70.78 0.05 OUTLIER 'General case' 0 C--O 1.225 -0.188 0 C-N-CA 127.121 2.168 . . . . 0.0 113.361 176.499 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -40.22 -52.16 2.64 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 126.218 1.807 . . . . 0.0 110.24 -174.454 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.407 ' H ' ' CD ' ' A' ' 33' ' ' GLU . 30.7 mp0 -56.16 -43.73 78.62 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 125.364 1.465 . . . . 0.0 110.288 -177.04 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.7 mt -81.96 -29.01 32.41 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-O 117.53 -1.224 . . . . 0.0 111.549 176.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 45.5 tptt -57.78 -47.53 82.27 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 121.431 1.923 . . . . 0.0 109.713 177.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -44.16 -55.23 4.95 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.925 1.29 . . . . 0.0 110.83 170.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 tt -65.57 -74.24 0.11 Allowed 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 125.269 1.427 . . . . 0.0 111.806 -178.134 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.4 pp -42.95 -56.76 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 C-N-CA 126.991 2.116 . . . . 0.0 111.902 -167.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -61.32 -49.39 77.18 Favored 'General case' 0 N--CA 1.443 -0.821 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 -170.425 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.6 mtmm -77.01 -59.58 2.72 Favored 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 119.779 -0.768 . . . . 0.0 110.251 -173.158 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -84.03 -28.69 27.48 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -167.164 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 31.8 mt -92.32 -63.0 1.29 Allowed 'General case' 0 C--N 1.339 0.133 0 CA-C-N 119.343 0.974 . . . . 0.0 112.049 178.195 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.8 p -59.89 156.33 14.63 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -167.159 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.26 10.0 tt . . . . . 0 C--N 1.34 0.184 0 C-N-CA 126.865 2.066 . . . . 0.0 111.346 177.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 69.0 mt . . . . . 0 CA--C 1.532 0.275 0 N-CA-C 110.629 -0.137 . . . . 0.0 110.629 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 21.2 mmt -73.82 -45.92 48.39 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-O 119.471 -0.3 . . . . 0.0 111.733 -172.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 53.4 p-10 -29.24 -61.24 0.14 Allowed 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 126.074 1.75 . . . . 0.0 114.36 -173.112 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -61.85 -8.91 5.55 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -171.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 pp -51.06 -39.42 55.97 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 120.578 1.535 . . . . 0.0 113.203 -172.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -64.96 -39.2 93.12 Favored 'General case' 0 CA--C 1.529 0.14 0 O-C-N 121.631 -0.668 . . . . 0.0 110.379 177.279 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.7 mtp85 -73.84 25.57 0.07 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.597 1.959 . . . . 0.0 113.73 -169.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -89.04 -15.96 32.76 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.681 1.592 . . . . 0.0 113.613 -173.363 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.8 mttp -78.42 -44.51 24.6 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 123.959 0.903 . . . . 0.0 110.609 -167.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -115.58 96.27 5.55 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 172.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -40.85 -35.1 0.46 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 113.559 -1.655 . . . . 0.0 114.369 169.229 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.4 ' OE2' ' NZ ' ' A' ' 31' ' ' LYS . 26.8 mm-40 -100.39 46.68 0.95 Allowed 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 120.035 1.289 . . . . 0.0 110.39 178.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 8.3 m -16.09 83.77 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 C-N-CA 130.957 3.703 . . . . 0.0 115.7 -169.303 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -68.52 -178.89 1.21 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.149 1.38 . . . . 0.0 111.98 169.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -54.42 -43.71 71.78 Favored 'General case' 0 C--O 1.225 -0.227 0 C-N-CA 123.82 0.848 . . . . 0.0 111.692 -176.254 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.8 tm0? -49.79 -54.58 18.27 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-O 118.835 -0.602 . . . . 0.0 110.371 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -61.22 -57.86 10.69 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 118.756 0.707 . . . . 0.0 110.442 -178.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -41.55 -52.59 3.68 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.684 1.194 . . . . 0.0 111.475 177.062 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.1 tp -79.1 -41.79 23.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-O 118.629 -0.7 . . . . 0.0 111.419 -173.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 49.9 m -48.7 -54.77 13.54 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 119.342 0.974 . . . . 0.0 108.862 173.116 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -52.05 -55.67 19.2 Favored 'General case' 0 N--CA 1.442 -0.857 0 C-N-CA 125.513 1.525 . . . . 0.0 110.728 175.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.98 -44.92 51.19 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.671 0.669 . . . . 0.0 112.262 174.522 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.94 -51.98 53.9 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 123.987 0.803 . . . . 0.0 111.105 177.502 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.75 -54.36 47.17 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 122.489 -0.418 . . . . 0.0 110.115 176.537 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 74.8 mt -53.35 -46.06 69.37 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.201 1.0 . . . . 0.0 112.126 -178.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.62 -45.3 81.58 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 121.743 -0.598 . . . . 0.0 110.51 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 67.8 mtm -67.69 -8.12 32.56 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 175.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 85.8 mt -92.69 -69.9 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 168.577 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.5 p90 -80.8 -40.45 24.99 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -169.195 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -92.97 23.17 4.39 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 124.539 1.136 . . . . 0.0 111.549 -170.344 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 . . . . . 0 CA--C 1.539 0.549 0 N-CA-C 117.724 2.49 . . . . 0.0 117.724 -165.072 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.268 0 CA-C-O 120.838 0.351 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 62.3 mt -55.32 -43.71 72.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 172.187 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -40.73 -46.22 3.76 Favored Glycine 0 CA--C 1.525 0.703 0 C-N-CA 127.296 2.379 . . . . 0.0 113.162 173.097 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.9 mp -59.82 -48.37 81.97 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.988 1.394 . . . . 0.0 110.223 176.105 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.4 mp -62.81 -35.25 79.27 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.844 -0.535 . . . . 0.0 110.641 179.133 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 97.9 mt -61.19 -48.31 89.53 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 C-N-CA 123.935 0.894 . . . . 0.0 109.267 172.067 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.54 -40.44 69.86 Favored Glycine 0 CA--C 1.526 0.768 0 C-N-CA 124.639 1.114 . . . . 0.0 111.391 177.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 30.0 mm -70.15 -55.02 16.1 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 CA-C-N 117.437 0.618 . . . . 0.0 110.674 174.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' PHE . . . . . 0.508 ' CZ ' ' CE1' ' B' ' 17' ' ' HIS . 5.3 t80 -39.61 -61.33 0.83 Allowed 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.006 1.322 . . . . 0.0 111.228 173.676 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' HIS . . . . . 0.508 ' CE1' ' CZ ' ' B' ' 16' ' ' PHE . 3.7 m-70 -90.2 21.3 3.84 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -178.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.63 -54.85 33.3 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 121.419 -0.8 . . . . 0.0 109.375 169.771 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -67.85 -33.63 75.13 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.077 -178.162 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 2.3 m -58.94 -27.05 64.95 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 120.804 0.335 . . . . 0.0 111.799 169.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.74 0 C-N-CA 123.711 0.672 . . . . 0.0 113.096 -168.545 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? . . . . . 0 CA--C 1.541 0.596 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 26.6 p80 -160.02 142.42 13.31 Favored 'General case' 0 CA--C 1.517 -0.324 0 O-C-N 121.246 -0.909 . . . . 0.0 113.07 165.555 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 3.4 p -38.98 145.56 0.09 Allowed 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 127.623 2.369 . . . . 0.0 111.527 171.02 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 35.8 mt -70.65 124.98 25.55 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 107.694 -1.225 . . . . 0.0 107.694 171.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -82.83 50.35 1.68 Allowed 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.894 0.878 . . . . 0.0 110.896 -169.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 34.1 mtmm 60.26 -68.93 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 126.898 2.079 . . . . 0.0 113.119 -175.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 45.1 tttm -55.32 -41.09 71.96 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.012 -1.055 . . . . 0.0 110.134 -178.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -53.54 -48.14 69.34 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 122.865 0.466 . . . . 0.0 110.524 174.192 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 37.0 tp -60.31 -43.03 96.7 Favored 'General case' 0 C--N 1.341 0.196 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 175.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 45.3 tptt -56.36 -52.33 64.99 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.2 0.455 . . . . 0.0 110.914 178.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -57.43 -43.93 84.25 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.469 -0.769 . . . . 0.0 111.568 175.49 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 tt -51.63 -51.5 55.26 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.916 0.886 . . . . 0.0 111.033 176.21 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.12 -45.09 91.29 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.101 0 O-C-N 121.083 -1.011 . . . . 0.0 111.282 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -53.54 -52.01 61.03 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.409 0.549 . . . . 0.0 110.56 177.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' LYS . . . . . 0.408 ' HZ3' ' CD ' ' B' ' 41' ' ' GLU . 18.6 ttpp -92.73 -95.01 0.14 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.6 0.76 . . . . 0.0 111.626 179.154 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.408 ' CD ' ' HZ3' ' B' ' 40' ' ' LYS . 23.5 mp0 -38.13 -53.09 1.44 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.431 1.892 . . . . 0.0 115.199 -168.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 20.0 mt -65.02 -26.8 68.43 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 119.555 1.07 . . . . 0.0 112.757 -174.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 8.4 p 80.89 144.42 0.08 Allowed 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 127.807 2.443 . . . . 0.0 109.222 -167.199 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 16.6 tt -146.95 -38.35 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 123.378 0.671 . . . . 0.0 111.782 -169.132 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.872 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 178.473 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 . . . . . 0 N--CA 1.466 0.369 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -35.82 -48.41 0.56 Allowed 'General case' 0 C--O 1.223 -0.301 0 C-N-CA 125.91 1.684 . . . . 0.0 112.051 -178.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 33.9 mt -61.97 -11.96 16.05 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 127.162 2.185 . . . . 0.0 114.041 -167.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.41 -38.6 43.78 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 165.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.77 20.4 4.77 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 177.044 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -24.67 -81.21 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 128.215 2.606 . . . . 0.0 114.057 -168.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.66 -74.27 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.787 1.635 . . . . 0.0 112.139 176.097 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 174.16 142.08 0.04 OUTLIER 'General case' 0 N--CA 1.436 -1.131 0 C-N-CA 131.089 3.756 . . . . 0.0 103.146 -177.058 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 32.96 -112.7 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 127.307 2.243 . . . . 0.0 113.175 166.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -91.08 165.17 13.66 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.843 0.857 . . . . 0.0 113.071 -168.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 46.8 t -98.21 114.25 35.13 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 C-N-CA 125.67 1.588 . . . . 0.0 112.458 -165.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -82.91 173.7 11.58 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 125.165 1.386 . . . . 0.0 109.774 168.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -56.84 -45.12 82.57 Favored 'General case' 0 C--O 1.221 -0.413 0 O-C-N 122.157 -0.339 . . . . 0.0 110.383 -177.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.1 tm0? -50.65 -50.28 54.92 Favored 'General case' 0 C--O 1.222 -0.363 0 C-N-CA 122.719 0.408 . . . . 0.0 110.598 176.249 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -63.67 -54.42 36.01 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 124.251 1.02 . . . . 0.0 109.797 -173.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -49.19 -46.8 46.12 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.799 0.839 . . . . 0.0 110.153 172.6 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 6.9 mm -64.36 -57.81 9.89 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 CA-C-O 118.375 -0.821 . . . . 0.0 111.101 -177.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 99.1 m -43.76 -51.57 7.17 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 124.468 1.107 . . . . 0.0 109.216 -178.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -58.54 -57.14 14.25 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 113.499 -1.682 . . . . 0.0 111.793 178.151 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.97 -39.24 77.68 Favored 'General case' 0 C--O 1.222 -0.347 0 O-C-N 121.851 -0.53 . . . . 0.0 110.769 -178.59 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.33 -52.33 53.88 Favored Glycine 0 CA--C 1.527 0.788 0 C-N-CA 124.297 0.951 . . . . 0.0 112.204 173.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.77 -49.38 68.36 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-O 121.161 0.505 . . . . 0.0 109.897 179.053 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 34.9 mt -65.35 -44.44 87.7 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.032 0.533 . . . . 0.0 111.066 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.75 -44.03 90.45 Favored 'General case' 0 CA--C 1.522 -0.103 0 C-N-CA 124.332 1.053 . . . . 0.0 110.746 -177.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 66.7 mtm -52.96 -22.9 6.19 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 118.225 -0.893 . . . . 0.0 112.359 173.043 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 52.2 mt -90.66 -71.47 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-N 119.674 1.125 . . . . 0.0 109.423 171.57 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 39.8 p90 -65.0 -36.9 85.89 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.081 -1.012 . . . . 0.0 112.495 -168.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -92.87 22.21 5.05 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.622 1.169 . . . . 0.0 112.183 174.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 . . . . . 0 C--N 1.346 0.429 0 CA-C-O 123.093 1.425 . . . . 0.0 112.394 -175.834 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 24.4 mm . . . . . 0 CA--C 1.533 0.291 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -42.99 -52.71 5.67 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 125.162 1.363 . . . . 0.0 111.416 169.485 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.1 tp -61.86 -47.3 85.64 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.705 -0.88 . . . . 0.0 111.317 177.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -55.23 -33.5 63.16 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.361 0.982 . . . . 0.0 112.068 174.429 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 52.4 mt -70.03 -44.55 78.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 123.497 0.719 . . . . 0.0 109.519 174.355 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.19 -31.88 62.69 Favored Glycine 0 CA--C 1.531 1.051 0 C-N-CA 125.241 1.401 . . . . 0.0 111.931 172.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.2 mm -67.58 -66.1 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 168.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -43.06 -82.79 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 127.398 2.279 . . . . 0.0 112.191 -178.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . 0.526 1.5 m-70 -70.36 22.27 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 120.923 3.675 . . . . 0.0 120.923 -167.033 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.1 mtmm -77.44 -50.59 12.37 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 103.116 -2.92 . . . . 0.0 103.116 159.15 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.447 ' CD2' HD12 ' A' ' 37' ' ' LEU . 29.6 m-85 -68.94 129.54 40.22 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 126.688 1.995 . . . . 0.0 107.547 174.518 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 93.4 p . . . . . 0 CA--C 1.535 0.385 0 CA-C-O 121.763 0.792 . . . . 0.0 109.47 -167.877 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.243 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -85.82 55.51 3.55 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 122.021 0.915 . . . . 0.0 110.901 -171.279 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 66.5 p -138.8 152.06 47.57 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 130.104 3.362 . . . . 0.0 102.895 168.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.4 mp -78.73 143.19 36.43 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 106.709 -1.589 . . . . 0.0 106.709 175.178 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.8 p -95.28 -85.79 0.31 Allowed 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 106.261 -1.755 . . . . 0.0 106.261 172.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.42 -51.21 0.69 Allowed 'General case' 0 N--CA 1.448 -0.525 0 C-N-CA 126.933 2.093 . . . . 0.0 107.779 168.329 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -44.28 -48.94 9.55 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 119.145 0.884 . . . . 0.0 112.192 -173.281 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.0 mp0 -62.38 -40.24 95.83 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 124.878 1.271 . . . . 0.0 109.837 -177.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.09 -46.46 74.19 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 178.062 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 46.1 mmtt -65.86 -19.09 65.76 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 121.538 -0.726 . . . . 0.0 111.675 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -73.32 -59.73 2.57 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 121.845 0.831 . . . . 0.0 109.254 168.138 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.447 HD12 ' CD2' ' A' ' 19' ' ' TYR . 7.3 tt -49.36 -58.12 5.67 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 128.159 2.583 . . . . 0.0 113.757 -178.215 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -31.18 -59.7 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.23 0.057 0 C-N-CA 128.011 2.524 . . . . 0.0 113.931 -168.565 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -57.57 -49.55 76.02 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.696 0.798 . . . . 0.0 111.863 -168.318 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.14 -35.95 11.68 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 -172.375 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -91.51 -29.08 17.19 Favored 'General case' 0 CA--C 1.528 0.111 0 N-CA-C 118.248 2.684 . . . . 0.0 118.248 -163.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.8 mt -69.59 22.32 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 116.097 1.888 . . . . 0.0 116.097 -168.164 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.1 m 50.53 58.88 5.02 Favored 'General case' 0 C--O 1.224 -0.25 0 C-N-CA 125.941 1.697 . . . . 0.0 110.932 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.437 ' H ' HD12 ' A' ' 44' ' ' ILE . 3.2 mp . . . . . 0 N--CA 1.451 -0.424 0 CA-C-O 123.164 1.459 . . . . 0.0 108.2 -177.223 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.5 tp . . . . . 0 CA--C 1.537 0.454 0 N-CA-C 111.37 0.137 . . . . 0.0 111.37 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.7 mmt -86.46 -40.59 15.17 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.093 0.957 . . . . 0.0 110.53 -176.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -48.91 -33.41 10.74 Favored 'General case' 0 CA--C 1.517 -0.293 0 C-N-CA 124.376 1.071 . . . . 0.0 112.333 -174.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.78 -4.74 1.61 Allowed 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 -173.429 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.0 mp -54.76 -19.72 6.93 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.08 -1.012 . . . . 0.0 111.002 165.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.83 -18.61 3.43 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.038 1.335 . . . . 0.0 112.896 168.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 55.4 ttm-85 -65.59 -6.69 11.75 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.269 1.427 . . . . 0.0 113.185 169.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -29.22 -73.54 0.03 OUTLIER 'General case' 0 C--N 1.339 0.152 0 C-N-CA 128.368 2.667 . . . . 0.0 116.987 -171.216 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -130.0 131.05 45.74 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -169.431 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.264 0.4 OUTLIER 66.28 -48.76 0.43 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 129.577 3.151 . . . . 0.0 113.542 -179.108 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? 146.41 -54.59 0.01 OUTLIER 'General case' 0 C--O 1.231 0.112 0 C-N-CA 128.9 2.88 . . . . 0.0 109.064 -169.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -77.79 167.08 22.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.979 0.895 . . . . 0.0 112.593 -170.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 58.7 t -140.03 94.43 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 C-N-CA 126.66 1.984 . . . . 0.0 107.954 -172.203 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -78.68 -176.21 4.77 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 124.773 1.229 . . . . 0.0 108.575 168.565 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -58.64 -42.38 88.19 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-O 119.123 -0.465 . . . . 0.0 110.738 -178.121 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -53.63 -57.13 11.88 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-N 118.197 0.453 . . . . 0.0 110.014 177.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -56.92 -56.11 25.85 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.114 0.966 . . . . 0.0 110.446 -178.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -48.76 -51.68 27.75 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 123.64 0.776 . . . . 0.0 110.052 178.48 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.7 mm -62.61 -53.23 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -178.456 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 60.7 m -50.98 -48.86 61.13 Favored 'General case' 0 CA--C 1.52 -0.18 0 C-N-CA 124.529 1.132 . . . . 0.0 108.792 -175.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -58.23 -60.29 3.98 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 114.284 -1.325 . . . . 0.0 111.691 176.552 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.13 -42.08 76.36 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 120.99 0.424 . . . . 0.0 109.948 -176.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -63.48 -45.0 95.84 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 124.749 1.166 . . . . 0.0 113.404 177.31 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.27 -47.6 75.24 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 118.099 0.95 . . . . 0.0 109.485 174.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 70.6 mt -61.0 -41.0 95.67 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 116.768 -0.197 . . . . 0.0 110.762 174.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.27 -43.13 87.79 Favored 'General case' 0 N--CA 1.457 -0.102 0 O-C-N 121.423 -0.798 . . . . 0.0 112.688 -179.117 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 42.1 mtm -57.01 -18.95 15.83 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 118.056 -0.973 . . . . 0.0 112.744 173.391 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 30.8 mm -90.33 -70.64 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 119.488 1.04 . . . . 0.0 108.863 169.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 25.7 p90 -56.66 -38.44 72.19 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 121.1 -1.0 . . . . 0.0 112.268 -169.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.56 26.08 3.2 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.646 1.578 . . . . 0.0 113.243 179.279 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 . . . . . 0 N--CA 1.478 0.961 0 C-N-CA 129.04 2.936 . . . . 0.0 117.986 -169.891 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.135 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.7 mp -52.93 -50.4 44.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 173.596 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.99 -56.24 9.11 Favored Glycine 0 CA--C 1.526 0.743 0 C-N-CA 125.515 1.531 . . . . 0.0 111.522 174.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 58.7 tp -57.96 -49.28 77.33 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.032 0.916 . . . . 0.0 110.71 179.379 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 45.0 mt -56.9 -41.06 77.42 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.008 0.523 . . . . 0.0 111.215 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 58.9 mt -66.64 -46.15 86.69 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.124 0 C-N-CA 123.368 0.667 . . . . 0.0 110.225 174.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.46 -55.68 27.32 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 109.918 -1.273 . . . . 0.0 109.918 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 4.3 tp -64.9 -46.23 92.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-O 118.78 -0.629 . . . . 0.0 109.901 -177.663 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -42.97 -57.12 2.99 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 119.157 0.889 . . . . 0.0 110.586 169.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -74.52 -32.68 62.56 Favored 'General case' 0 N--CA 1.434 -1.23 0 CA-C-O 118.215 -0.898 . . . . 0.0 112.667 -168.138 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 3.6 tpmp? -69.14 -31.2 69.7 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 119.14 -1.024 . . . . 0.0 113.607 -172.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -77.69 69.11 3.88 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 119.346 0.975 . . . . 0.0 110.749 178.178 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 9.1 p -133.26 38.29 3.32 Favored 'General case' 0 N--CA 1.442 -0.849 0 C-N-CA 125.947 1.699 . . . . 0.0 110.011 -172.151 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.728 0 C-N-CA 125.921 1.724 . . . . 0.0 114.867 168.043 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.313 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 35.1 m170 -57.89 -48.43 79.88 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 123.16 0.584 . . . . 0.0 111.693 -172.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 24.4 p -97.65 134.83 40.32 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 105.296 -2.113 . . . . 0.0 105.296 169.163 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.23 138.36 32.4 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 119.185 0.902 . . . . 0.0 109.686 -172.159 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.7 m -80.66 39.97 0.5 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.762 1.225 . . . . 0.0 111.008 -174.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.49 -67.03 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 127.105 2.162 . . . . 0.0 113.953 -171.019 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 15.1 tptp -53.96 -29.71 43.89 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 119.275 0.943 . . . . 0.0 112.034 -174.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -66.57 -54.45 23.53 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 173.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.455 ' O ' HD13 ' B' ' 34' ' ' LEU . 1.8 tm? -61.6 -34.62 75.94 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.772 -0.58 . . . . 0.0 110.95 -178.704 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -43.12 -41.01 3.46 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.658 1.183 . . . . 0.0 111.102 174.394 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.91 -26.39 65.08 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -178.111 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 tt -71.43 -64.95 0.82 Allowed 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.747 1.219 . . . . 0.0 107.986 172.027 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 3.4 tp -56.13 -48.62 78.87 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 C-N-CA 123.245 0.618 . . . . 0.0 112.286 -171.215 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -55.85 -31.94 63.18 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 118.382 0.537 . . . . 0.0 112.021 -173.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -93.75 -101.07 0.14 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.618 1.167 . . . . 0.0 113.225 -178.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 9.7 pm0 -63.08 -36.1 82.46 Favored 'General case' 0 C--N 1.342 0.266 0 N-CA-C 116.443 2.016 . . . . 0.0 116.443 -165.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 15.4 mt -59.72 -68.41 0.29 Allowed 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 119.924 1.238 . . . . 0.0 111.636 -169.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.78 -7.01 30.02 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 115.202 1.556 . . . . 0.0 115.202 -168.152 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 pp -89.17 -5.23 10.59 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.15 0 CA-C-N 118.836 0.744 . . . . 0.0 112.976 177.221 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.187 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 176.988 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 52.9 t0 . . . . . 0 CA--C 1.513 -0.457 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -91.93 16.92 10.03 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 114.755 1.391 . . . . 0.0 114.755 -169.27 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 85.1 mt -80.36 -7.86 59.26 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.692 -0.63 . . . . 0.0 112.591 171.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 29.0 p-10 -72.89 -32.89 65.68 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 124.08 0.952 . . . . 0.0 109.072 169.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.48 25.17 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 126.494 1.918 . . . . 0.0 114.613 174.784 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -56.34 -100.9 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 127.131 2.172 . . . . 0.0 116.01 -168.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.87 86.41 3.28 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-N 120.345 1.429 . . . . 0.0 110.562 -168.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 2.3 p30 60.08 -23.59 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 118.725 2.861 . . . . 0.0 118.725 167.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 25.5 pt20 -85.27 51.15 2.1 Favored 'General case' 0 C--N 1.332 -0.187 0 O-C-N 120.748 -1.22 . . . . 0.0 112.485 -166.221 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 43.48 -96.27 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 126.128 1.771 . . . . 0.0 109.668 -168.369 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 45.3 t -156.72 135.49 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 C-N-CA 128.101 2.56 . . . . 0.0 104.288 166.357 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -148.4 179.08 8.06 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 173.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -54.71 -38.37 66.99 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-O 118.446 -0.788 . . . . 0.0 112.118 -170.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -56.44 -57.78 10.85 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 118.946 0.793 . . . . 0.0 109.027 177.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -63.97 -47.47 80.29 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 121.897 -0.502 . . . . 0.0 110.559 -176.202 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -51.58 -46.43 63.47 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.002 0.921 . . . . 0.0 111.609 176.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 4.0 tp -81.39 -40.63 18.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 O-C-N 121.819 -0.551 . . . . 0.0 110.206 -172.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 56.1 m -49.26 -52.34 27.93 Favored 'General case' 0 C--N 1.341 0.219 0 C-N-CA 124.129 0.972 . . . . 0.0 108.905 169.068 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -52.36 -61.76 2.07 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.801 1.64 . . . . 0.0 109.901 174.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -45.3 -52.58 9.55 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 118.407 0.549 . . . . 0.0 111.094 178.332 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.97 -54.53 33.14 Favored Glycine 0 CA--C 1.533 1.187 0 C-N-CA 123.315 0.483 . . . . 0.0 112.717 176.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.3 -54.16 47.56 Favored 'General case' 0 N--CA 1.457 -0.094 0 C-N-CA 123.141 0.576 . . . . 0.0 110.24 -175.29 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 9.2 mp -54.92 -50.65 68.29 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 124.455 1.102 . . . . 0.0 109.303 177.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.85 -46.32 78.23 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 123.35 0.66 . . . . 0.0 111.343 -177.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 53.1 mtm -52.53 -24.62 8.45 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 119.066 0.848 . . . . 0.0 113.163 175.095 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 38.4 mm -90.83 -70.53 0.56 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-N 119.035 0.834 . . . . 0.0 110.287 171.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -65.75 -36.42 83.51 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 120.966 -1.084 . . . . 0.0 111.796 -169.364 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -91.12 26.74 2.06 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.861 2.065 . . . . 0.0 110.453 176.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 . . . . . 0 C--O 1.238 0.466 0 C-N-CA 130.746 3.618 . . . . 0.0 114.228 -169.359 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.6 mm . . . . . 0 CA--C 1.527 0.068 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -42.03 -51.87 5.02 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 123.401 0.524 . . . . 0.0 112.435 174.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.1 mt -55.31 -27.17 45.13 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 118.195 -0.907 . . . . 0.0 113.172 -178.287 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -59.69 -39.83 85.87 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 120.678 1.581 . . . . 0.0 110.312 174.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 mt -82.51 -31.24 9.56 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 CA-C-N 118.129 0.422 . . . . 0.0 110.199 172.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.77 -55.45 28.87 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 121.109 -0.994 . . . . 0.0 111.533 177.579 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.6 mm -52.2 -65.83 0.26 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.175 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 176.304 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.443 ' CD1' HD23 ' A' ' 29' ' ' LEU . 7.7 t80 -28.77 -65.36 0.09 Allowed 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 126.121 1.768 . . . . 0.0 111.404 170.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . 0.358 1.9 m-70 -76.94 -8.19 56.94 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 117.09 2.255 . . . . 0.0 117.09 -175.584 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -56.76 -42.89 80.14 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 121.223 1.828 . . . . 0.0 108.045 166.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.504 ' CD2' HD12 ' A' ' 37' ' ' LEU . 94.4 m-85 -73.34 3.84 5.39 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.896 0.878 . . . . 0.0 112.892 -177.608 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 38.6 m . . . . . 0 N--CA 1.455 -0.198 0 O-C-N 121.492 -0.755 . . . . 0.0 111.663 168.63 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.541 0.611 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.6 p80 -72.15 -35.29 69.02 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 120.467 1.485 . . . . 0.0 107.95 168.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.44 172.54 6.92 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 127.466 2.306 . . . . 0.0 107.189 167.741 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.443 HD23 ' CD1' ' A' ' 16' ' ' PHE . 4.0 pp -112.14 -179.81 3.79 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 120.955 -1.091 . . . . 0.0 109.361 173.221 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.4 t -109.4 144.59 37.4 Favored 'General case' 0 C--N 1.343 0.325 0 CA-C-N 119.195 0.907 . . . . 0.0 112.994 -177.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.5 pttm -56.55 -37.42 70.5 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.674 1.189 . . . . 0.0 112.613 -175.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -62.5 -54.35 41.28 Favored 'General case' 0 CA--C 1.528 0.125 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 -177.154 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.2 mp0 -60.57 -41.43 94.59 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 124.507 1.123 . . . . 0.0 109.078 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 26.7 tp -50.73 -38.91 50.16 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 120.805 -1.184 . . . . 0.0 111.987 172.034 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.401 ' NZ ' ' OD1' ' A' ' 59' ' ' ASP . 35.6 mttm -72.48 -17.29 61.77 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.519 -0.738 . . . . 0.0 111.67 178.776 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -77.49 -41.16 40.46 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.232 -0.917 . . . . 0.0 108.681 166.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.504 HD12 ' CD2' ' A' ' 19' ' ' TYR . 3.6 tt -54.66 -63.92 1.0 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.172 1.389 . . . . 0.0 110.024 179.533 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.6 tt -44.38 -44.22 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 C-N-CA 124.338 1.055 . . . . 0.0 112.792 -171.001 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -55.09 -48.97 72.83 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 123.551 0.74 . . . . 0.0 111.922 -174.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.23 -86.66 0.25 Allowed 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 117.932 0.333 . . . . 0.0 111.793 -176.521 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -50.32 -45.01 54.49 Favored 'General case' 0 C--O 1.232 0.132 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 -167.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.9 mt -69.37 -1.54 8.59 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -175.511 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.5 m 63.64 31.77 14.31 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.48 1.037 . . . . 0.0 111.334 167.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.5 tp . . . . . 0 CA--C 1.534 0.327 0 O-C-N 121.33 -0.856 . . . . 0.0 110.961 -178.579 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 tt . . . . . 0 CA--C 1.536 0.432 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 41.7 tpp -57.87 -40.62 80.61 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.246 -0.909 . . . . 0.0 111.767 176.256 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.46 ' C ' ' H ' ' A' ' 60' ' ' LEU . 61.2 m-20 -70.13 -0.44 7.76 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 113.93 1.085 . . . . 0.0 113.93 176.017 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.401 ' OD1' ' NZ ' ' A' ' 35' ' ' LYS . 0.5 OUTLIER -68.93 27.92 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 119.404 1.002 . . . . 0.0 111.221 168.024 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.46 ' H ' ' C ' ' A' ' 58' ' ' ASP . 84.8 mt -56.3 -23.85 39.46 Favored 'General case' 0 C--N 1.344 0.365 0 C-N-CA 126.561 1.944 . . . . 0.0 111.92 -175.593 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -52.8 -22.92 5.93 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 123.875 0.87 . . . . 0.0 111.579 169.437 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.1 ptp85 -53.54 -18.36 2.77 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 172.135 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -28.03 -63.03 0.1 Allowed 'General case' 0 C--N 1.345 0.373 0 C-N-CA 128.121 2.568 . . . . 0.0 114.008 -173.445 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.77 -53.52 0.14 Allowed 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 169.574 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -68.53 -43.73 76.08 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 119.312 -0.375 . . . . 0.0 111.312 -169.012 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 70.08 -63.15 0.41 Allowed 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 126.292 1.837 . . . . 0.0 110.301 -178.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.03 71.2 1.08 Allowed 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 105.182 -2.155 . . . . 0.0 105.182 165.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.429 HG22 HD11 ' A' ' 29' ' ' LEU . 35.0 m -59.96 155.0 3.51 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 -167.261 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -103.74 176.85 5.02 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 127.785 2.434 . . . . 0.0 106.811 168.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -57.58 -48.64 78.81 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 -175.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . 0.308 0.0 OUTLIER -54.72 -43.14 72.33 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 118.228 -0.892 . . . . 0.0 113.021 179.436 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -70.68 -46.04 63.93 Favored 'General case' 0 C--O 1.227 -0.099 0 CA-C-N 119.957 1.253 . . . . 0.0 111.487 177.116 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -46.22 -48.04 17.82 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.194 0.598 . . . . 0.0 110.033 172.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 14.2 mm -66.57 -53.6 33.99 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 CA-C-O 118.916 -0.564 . . . . 0.0 111.269 177.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 64.9 m -47.24 -48.46 24.38 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.857 0.837 . . . . 0.0 109.538 -179.085 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -57.82 -62.39 1.84 Allowed 'General case' 0 N--CA 1.44 -0.95 0 C-N-CA 126.112 1.765 . . . . 0.0 111.211 175.372 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.75 -42.56 75.6 Favored 'General case' 0 C--N 1.339 0.137 0 CA-C-N 118.769 0.713 . . . . 0.0 110.92 -175.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -62.41 -47.73 87.33 Favored Glycine 0 CA--C 1.529 0.935 0 CA-C-O 119.34 -0.7 . . . . 0.0 112.486 175.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.82 -46.87 78.0 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.873 1.337 . . . . 0.0 110.453 176.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 73.9 mt -61.07 -46.29 91.29 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 122.548 0.339 . . . . 0.0 110.546 176.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.01 -41.02 74.26 Favored 'General case' 0 C--O 1.227 -0.121 0 C-N-CA 123.634 0.774 . . . . 0.0 111.177 177.117 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -53.13 -26.94 18.43 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 173.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 44.1 mt -89.2 -68.82 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 173.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 19.6 p90 -66.83 -38.07 85.71 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 112.778 0.658 . . . . 0.0 112.778 -168.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -91.56 23.57 3.44 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.893 1.277 . . . . 0.0 111.621 -176.406 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 . . . . . 0 N--CA 1.449 -0.505 0 CA-C-O 122.44 1.114 . . . . 0.0 111.748 -176.353 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.279 0 CA-C-O 121.241 0.543 . . . . 0.0 110.653 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 95.2 mt -56.5 -47.26 82.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 175.322 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.2 -52.18 18.52 Favored Glycine 0 CA--C 1.53 0.975 0 C-N-CA 124.213 0.911 . . . . 0.0 112.127 173.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 63.3 tp -57.86 -49.82 75.39 Favored 'General case' 0 CA--C 1.529 0.168 0 O-C-N 121.875 -0.779 . . . . 0.0 109.948 178.257 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 65.8 mt -57.8 -41.9 83.07 Favored 'General case' 0 CA--C 1.535 0.404 0 O-C-N 122.185 -0.322 . . . . 0.0 111.457 178.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 91.2 mt -60.58 -43.35 94.43 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.127 0 C-N-CA 124.271 1.028 . . . . 0.0 109.553 174.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.76 -59.24 11.2 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 176.681 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 32.9 mm -54.28 -47.07 68.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 122.99 0.516 . . . . 0.0 110.104 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -51.13 -74.89 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.668 1.187 . . . . 0.0 110.982 171.417 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -84.49 10.39 11.01 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 116.861 2.171 . . . . 0.0 116.861 -168.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -57.94 -46.69 84.67 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 106.18 -1.785 . . . . 0.0 106.18 164.224 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -61.57 131.36 49.81 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 114.236 -1.347 . . . . 0.0 109.913 169.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 13.7 p -169.95 -13.74 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 114.82 -1.082 . . . . 0.0 113.488 -166.314 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.75 0 C-N-CA 127.7 2.572 . . . . 0.0 111.694 171.55 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 30.1 mmtm . . . . . 0 CA--C 1.534 0.361 0 CA-C-O 118.954 -0.546 . . . . 0.0 111.83 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 15.4 p-80 -93.01 -33.89 13.94 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 169.173 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.9 169.87 8.23 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 125.757 1.623 . . . . 0.0 109.77 174.612 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 40.4 mt -98.26 134.02 41.86 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 168.209 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 5.7 m -75.81 67.47 2.23 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.521 0.729 . . . . 0.0 111.916 -175.062 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 49.0 mttm 42.94 -78.01 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 128.925 2.89 . . . . 0.0 115.296 174.059 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -43.89 -47.42 8.34 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 124.467 1.107 . . . . 0.0 109.405 175.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -43.48 -59.11 2.28 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 125.055 1.342 . . . . 0.0 111.291 173.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -62.78 -44.5 96.01 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 123.443 0.697 . . . . 0.0 110.111 -178.211 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -61.91 -19.22 62.46 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.736 -0.602 . . . . 0.0 112.001 177.545 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -82.58 -48.0 11.48 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.451 1.023 . . . . 0.0 110.675 169.173 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 tt -44.58 -51.29 9.13 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 126.184 1.794 . . . . 0.0 110.269 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 21.2 pt -56.6 -38.03 55.16 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.102 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -71.83 -58.1 3.76 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 -175.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.39 -71.22 0.63 Allowed 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.757 -171.644 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 43.0 mp0 -59.07 -37.47 77.16 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.256 1.023 . . . . 0.0 113.536 -169.133 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 17.7 mt -70.35 -0.99 9.22 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 119.849 1.204 . . . . 0.0 113.308 175.351 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m 92.1 -2.28 0.16 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 126.552 1.941 . . . . 0.0 111.857 169.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 28.7 mt -58.9 -56.28 17.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-N 119.589 1.086 . . . . 0.0 110.292 -172.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.78 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 175.501 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 t70 . . . . . 0 N--CA 1.464 0.257 0 N-CA-C 115.154 1.539 . . . . 0.0 115.154 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -63.73 0.82 0.72 Allowed 'General case' 0 CA--C 1.557 1.223 0 O-C-N 121.437 -0.789 . . . . 0.0 111.341 166.315 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.7 pp -48.73 -12.59 0.04 OUTLIER 'General case' 0 C--N 1.345 0.384 0 C-N-CA 127.712 2.405 . . . . 0.0 114.541 169.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -47.24 -26.99 1.34 Allowed 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 120.155 1.343 . . . . 0.0 110.157 165.542 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 7.8 ptp85 -54.89 -12.88 0.9 Allowed 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 114.028 1.121 . . . . 0.0 114.028 175.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 -29.04 -49.55 0.08 Allowed 'General case' 0 C--N 1.342 0.252 0 C-N-CA 128.677 2.791 . . . . 0.0 113.683 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 18.7 pttm -150.32 -52.26 0.14 Allowed 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.422 0.289 . . . . 0.0 111.076 -174.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -114.66 -46.64 2.94 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.418 1.087 . . . . 0.0 112.944 -168.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . 0.313 4.3 pt20 43.68 41.38 3.54 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.963 0.905 . . . . 0.0 112.687 -164.526 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -107.45 69.24 0.74 Allowed 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 101.46 -3.533 . . . . 0.0 101.46 165.336 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 43.2 t -67.29 100.09 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.697 0 CA-C-O 122.584 1.183 . . . . 0.0 113.023 -166.128 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 -88.34 -162.48 0.84 Allowed 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 104.663 -2.347 . . . . 0.0 104.663 164.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -63.81 -26.49 68.65 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 120.606 -1.308 . . . . 0.0 111.49 -176.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -60.29 -71.47 0.13 Allowed 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 118.703 -0.665 . . . . 0.0 112.266 -172.408 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -57.29 -41.7 80.29 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 120.186 1.357 . . . . 0.0 111.227 -175.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -44.65 -64.46 0.69 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.852 0.861 . . . . 0.0 110.314 170.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 3.6 tp -67.86 -30.62 48.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 O-C-N 121.494 -0.754 . . . . 0.0 110.798 -173.29 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 51.8 m -54.17 -53.98 45.98 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 118.774 -0.631 . . . . 0.0 110.522 170.004 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.74 -46.8 86.39 Favored 'General case' 0 C--N 1.343 0.315 0 C-N-CA 118.659 -1.217 . . . . 0.0 111.606 178.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 4.7 mp -48.12 -52.91 18.46 Favored 'General case' 0 C--N 1.343 0.316 0 CA-C-N 119.002 0.819 . . . . 0.0 109.905 175.516 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.67 -48.67 60.59 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 123.799 0.714 . . . . 0.0 112.591 176.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.71 -53.8 54.24 Favored 'General case' 0 CA--C 1.527 0.072 0 C-N-CA 123.463 0.705 . . . . 0.0 111.056 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 93.1 mt -60.62 -43.56 97.35 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 178.165 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -47.51 -53.58 13.93 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.968 1.307 . . . . 0.0 113.612 -169.286 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 93.5 mtp -49.2 -33.69 13.04 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 118.629 0.65 . . . . 0.0 111.683 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 37.7 mm -90.48 -73.39 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 C-N-CA 123.516 0.727 . . . . 0.0 109.917 177.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . 0.254 0.0 OUTLIER -74.92 -22.14 58.78 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 -168.036 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -93.7 22.78 5.2 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 123.729 0.812 . . . . 0.0 110.173 169.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 . . . . . 0 N--CA 1.445 -0.692 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 171.145 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.0 mm . . . . . 0 CA--C 1.536 0.412 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.43 -45.25 11.45 Favored Glycine 0 CA--C 1.522 0.53 0 C-N-CA 127.076 2.274 . . . . 0.0 112.631 174.57 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 93.0 mt -54.64 -54.73 37.69 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 118.863 1.331 . . . . 0.0 110.075 175.598 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.38 -40.34 90.5 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.4 mt -61.32 -38.21 79.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 O-C-N 121.741 -0.6 . . . . 0.0 110.776 173.427 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.55 -61.48 6.99 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 109.427 -1.469 . . . . 0.0 109.427 174.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.1 mp -53.9 -42.19 52.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 178.058 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.42 ' CD1' ' HB2' ' A' ' 29' ' ' LEU . 52.0 t80 -44.4 -75.56 0.03 OUTLIER 'General case' 0 C--N 1.342 0.262 0 C-N-CA 124.147 0.979 . . . . 0.0 112.213 -170.279 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -75.22 -17.58 60.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 118.196 -0.907 . . . . 0.0 111.889 -178.326 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -54.05 -37.3 64.0 Favored 'General case' 0 C--N 1.346 0.427 0 CA-C-N 120.006 1.275 . . . . 0.0 109.187 169.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -74.69 52.85 0.53 Allowed 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 121.961 0.886 . . . . 0.0 110.92 172.098 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.1 m . . . . . 0 CA--C 1.532 0.251 0 C-N-CA 127.244 2.217 . . . . 0.0 109.905 167.053 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 45.1 tttp . . . . . 0 CA--C 1.538 0.501 0 CA-C-O 117.893 -1.051 . . . . 0.0 113.183 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.2 p80 -88.48 -147.75 0.16 Allowed 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 120.502 1.501 . . . . 0.0 110.966 -172.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.2 p -58.41 165.86 1.94 Allowed 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 126.195 1.798 . . . . 0.0 111.057 169.041 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.42 ' HB2' ' CD1' ' A' ' 16' ' ' PHE . 5.6 tt -84.74 148.85 26.14 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 104.468 -2.419 . . . . 0.0 104.468 166.538 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.4 t -102.19 136.25 42.34 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.872 0.844 . . . . 0.0 111.107 -174.598 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.6 ptpp? -49.9 -23.65 2.07 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.28 -66.07 0.59 Allowed 'General case' 0 C--N 1.341 0.215 0 CA-C-N 119.597 1.09 . . . . 0.0 109.825 175.047 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.7 mp0 -62.3 -29.59 70.54 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -175.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 26.6 tp -46.91 -40.27 13.83 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 118.071 -0.966 . . . . 0.0 111.238 169.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.29 -40.21 47.8 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-N 119.526 1.057 . . . . 0.0 111.763 178.772 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -71.38 -51.07 26.07 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 -178.188 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 tt -52.62 -53.37 47.75 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.261 -1.336 . . . . 0.0 109.463 -173.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.4 pt -65.61 -14.39 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.125 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -173.506 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -94.42 -73.82 0.56 Allowed 'General case' 0 N--CA 1.449 -0.504 0 O-C-N 121.556 -0.715 . . . . 0.0 109.795 169.01 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -69.79 -67.23 0.5 Allowed 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.956 -167.169 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -64.14 -38.48 91.21 Favored 'General case' 0 CA--C 1.526 0.057 0 C-N-CA 122.16 0.184 . . . . 0.0 110.77 -170.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.4 mt -65.62 -54.7 24.12 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.38 173.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.4 m 72.51 148.07 0.09 Allowed 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.252 0.933 . . . . 0.0 111.85 -178.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 17.8 pt . . . . . 0 CA--C 1.539 0.557 0 O-C-N 120.658 -1.276 . . . . 0.0 109.974 168.972 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.7 tt . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 73.7 mtm -61.1 -52.23 65.78 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 120.905 0.384 . . . . 0.0 110.249 179.188 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -49.16 -44.59 42.89 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.859 1.263 . . . . 0.0 111.577 174.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -50.48 -33.99 23.36 Favored 'General case' 0 C--O 1.224 -0.255 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -173.148 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 67.9 mt -56.35 -29.33 61.24 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.305 1.042 . . . . 0.0 112.606 -173.483 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -60.29 -16.28 32.93 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.733 -0.604 . . . . 0.0 112.108 177.093 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -55.5 -22.54 21.58 Favored 'General case' 0 C--N 1.34 0.181 0 C-N-CA 124.394 1.077 . . . . 0.0 113.558 172.214 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -40.78 -50.72 3.15 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 114.336 1.236 . . . . 0.0 114.336 -176.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.1 pttm -79.78 18.75 0.74 Allowed 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 118.175 -0.917 . . . . 0.0 111.331 -174.034 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -28.5 -66.87 0.08 Allowed 'General case' 0 CA--C 1.509 -0.616 0 C-N-CA 127.425 2.29 . . . . 0.0 110.714 -178.284 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 50.7 -80.5 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.685 0 O-C-N 125.666 1.854 . . . . 0.0 108.952 -167.524 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -144.56 131.32 20.15 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 103.963 -2.606 . . . . 0.0 103.963 161.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.5 t -46.2 120.98 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 -163.455 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -102.15 147.72 26.28 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.559 1.544 . . . . 0.0 109.346 -170.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -63.1 -44.9 94.37 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-O 119.098 -0.477 . . . . 0.0 110.507 -170.476 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -46.98 -56.49 6.32 Favored 'General case' 0 C--O 1.223 -0.31 0 O-C-N 123.672 0.608 . . . . 0.0 109.564 175.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -55.71 -65.77 0.54 Allowed 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -40.3 -51.65 2.74 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.609 1.164 . . . . 0.0 112.103 -178.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 5.8 tp -81.42 -34.91 13.54 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 123.122 0.569 . . . . 0.0 112.175 -174.166 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 45.9 m -56.42 -47.43 79.07 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 172.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -64.7 -59.59 4.08 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 128.211 2.604 . . . . 0.0 109.424 -174.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 19.7 mt -46.99 -45.6 21.11 Favored 'General case' 0 C--N 1.343 0.319 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 169.358 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.54 -53.81 40.79 Favored Glycine 0 CA--C 1.527 0.826 0 C-N-CA 125.51 1.529 . . . . 0.0 113.096 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.02 -47.97 81.46 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.063 0.945 . . . . 0.0 109.461 -177.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 70.8 mt -61.16 -52.92 62.82 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 176.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -48.53 -60.2 2.89 Favored 'General case' 0 CA--C 1.516 -0.337 0 C-N-CA 126.041 1.736 . . . . 0.0 110.367 -176.248 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -34.23 -57.65 0.48 Allowed 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 126.077 1.751 . . . . 0.0 110.055 178.018 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 31.4 mm -75.52 -71.27 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 C-N-CA 123.715 0.806 . . . . 0.0 110.995 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . 0.284 0.0 OUTLIER -69.69 -9.82 55.84 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 116.336 1.976 . . . . 0.0 116.336 -165.209 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.25 -70.36 0.27 Allowed 'General case' 0 C--N 1.342 0.266 0 CA-C-N 119.907 1.23 . . . . 0.0 109.005 171.778 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 . . . . . 0 N--CA 1.455 -0.196 0 C-N-CA 125.814 1.646 . . . . 0.0 110.874 -179.708 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.17 0 CA-C-O 121.002 0.43 . . . . 0.0 110.248 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 19.4 mm -51.61 -44.81 35.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 C-N-CA 123.699 0.799 . . . . 0.0 109.378 171.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -51.07 -45.02 51.57 Favored Glycine 0 CA--C 1.523 0.562 0 C-N-CA 126.7 2.095 . . . . 0.0 111.692 176.462 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 73.0 mt -56.75 -53.42 58.04 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 118.765 1.283 . . . . 0.0 109.674 174.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 73.1 mt -56.11 -43.28 77.99 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 122.649 0.38 . . . . 0.0 110.938 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.41 -34.78 67.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 123.722 0.809 . . . . 0.0 111.109 177.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.02 -47.66 64.12 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.088 -1.205 . . . . 0.0 110.088 178.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 78.4 mt -61.36 -48.9 86.75 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 C-N-CA 125.928 1.691 . . . . 0.0 109.765 177.21 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -29.93 -71.13 0.05 OUTLIER 'General case' 0 C--O 1.225 -0.185 0 C-N-CA 127.236 2.215 . . . . 0.0 113.683 -170.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -92.05 3.02 56.18 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -175.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.12 -34.8 64.02 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 119.159 0.89 . . . . 0.0 111.013 176.619 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -55.34 -38.82 69.26 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 124.178 0.991 . . . . 0.0 111.294 176.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 67.3 m -73.21 5.53 3.46 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-O 118.446 -0.788 . . . . 0.0 112.888 175.558 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.128 0 CA-C-N 119.702 1.137 . . . . 0.0 114.261 -174.648 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.574 0 CA-C-O 121.022 0.439 . . . . 0.0 111.753 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -73.55 44.84 0.17 Allowed 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 116.594 2.072 . . . . 0.0 116.594 -163.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 10.8 p -150.05 134.0 16.96 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.932 2.093 . . . . 0.0 105.726 168.706 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 2.5 tt -88.61 115.26 26.01 Favored 'General case' 0 CA--C 1.528 0.125 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -169.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.6 p -62.67 130.79 46.58 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 121.594 -0.691 . . . . 0.0 111.041 177.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 2.4 pttm -46.13 -45.15 16.35 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 122.874 0.47 . . . . 0.0 112.156 -179.138 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 17.9 pttp -68.8 -17.29 64.0 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -176.034 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -93.83 -7.56 42.96 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 119.482 1.037 . . . . 0.0 112.043 168.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 9.3 tp -67.2 -33.54 75.6 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.901 0.773 . . . . 0.0 110.265 171.372 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 3.0 pptp? -41.36 -53.47 3.29 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 119.117 0.871 . . . . 0.0 112.376 176.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -42.99 -48.9 6.03 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 125.207 1.403 . . . . 0.0 112.235 174.702 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 tt -72.44 -46.75 53.55 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 125.916 1.686 . . . . 0.0 108.767 -171.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 2.2 pt -72.72 -49.62 39.3 Favored 'Isoleucine or valine' 0 C--N 1.341 0.233 0 CA-C-O 118.986 -0.53 . . . . 0.0 111.648 -177.282 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -50.1 -50.01 49.77 Favored 'General case' 0 C--N 1.339 0.119 0 CA-C-N 118.609 0.641 . . . . 0.0 110.254 -179.566 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -94.19 -102.93 0.14 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.238 0.615 . . . . 0.0 112.349 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -30.49 -64.2 0.13 Allowed 'General case' 0 C--N 1.343 0.319 0 C-N-CA 129.155 2.982 . . . . 0.0 114.511 -168.09 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.4 HD21 ' CE2' ' B' ' 76' ' ' PHE 0.402 2.2 pp -89.5 15.16 9.79 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 -169.289 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 45.6 p -133.29 -166.67 1.8 Allowed 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 167.295 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . 0.271 61.2 mt 78.99 -47.41 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 125.997 1.719 . . . . 0.0 112.204 178.674 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.112 0 N-CA-C 108.793 -1.723 . . . . 0.0 108.793 168.323 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 58' ' ' ASP . . . . . 0.458 ' C ' ' H ' ' B' ' 60' ' ' LEU . 72.1 m-20 . . . . . 0 CA--C 1.517 -0.323 0 CA-C-O 118.214 -0.898 . . . . 0.0 113.174 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -69.67 27.96 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 120.101 1.319 . . . . 0.0 110.136 165.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.458 ' H ' ' C ' ' B' ' 58' ' ' ASP . 39.2 tp -60.25 -23.91 64.46 Favored 'General case' 0 C--N 1.343 0.304 0 C-N-CA 127.173 2.189 . . . . 0.0 112.542 -169.555 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -61.28 -7.29 2.73 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 125.56 1.544 . . . . 0.0 112.57 167.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 10.0 ttm105 -25.19 -37.55 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 131.076 3.75 . . . . 0.0 116.374 -172.402 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -47.7 -23.62 0.74 Allowed 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 171.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -6.5 1.5 Allowed 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 114.857 1.428 . . . . 0.0 114.857 173.056 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -26.56 -48.42 0.03 OUTLIER 'General case' 0 C--N 1.343 0.29 0 C-N-CA 127.06 2.144 . . . . 0.0 115.79 -169.127 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -48.56 -65.5 0.56 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 122.625 0.37 . . . . 0.0 111.862 177.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -169.33 153.23 5.22 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 130.422 3.489 . . . . 0.0 105.192 170.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 1.8 t -85.99 121.64 37.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 C-N-CA 123.601 0.76 . . . . 0.0 108.969 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -86.06 164.58 17.24 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 168.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -55.35 -41.72 72.91 Favored 'General case' 0 N--CA 1.454 -0.226 0 O-C-N 121.903 -0.498 . . . . 0.0 111.351 -172.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -58.23 -55.12 39.13 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -176.175 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -56.87 -52.53 64.77 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 121.731 -0.606 . . . . 0.0 109.739 178.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -45.92 -55.52 6.63 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.582 1.153 . . . . 0.0 111.512 177.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 11.0 tp -75.96 -36.92 33.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 O-C-N 121.845 -0.535 . . . . 0.0 111.501 -173.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 82.2 m -55.12 -53.53 54.71 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 122.124 0.964 . . . . 0.0 109.021 173.157 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.4 ' CE2' HD21 ' B' ' 42' ' ' LEU . 32.6 t80 -55.6 -56.51 19.44 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 126.366 1.866 . . . . 0.0 111.044 178.755 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 16.7 mt -48.0 -48.58 32.56 Favored 'General case' 0 C--O 1.224 -0.246 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 173.02 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.76 -60.13 7.28 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 124.31 0.957 . . . . 0.0 112.827 175.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.71 -50.0 71.52 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.539 0.735 . . . . 0.0 110.397 -176.47 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 95.2 mt -66.85 -46.03 76.32 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 119.488 -0.291 . . . . 0.0 111.123 -178.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -48.44 -48.44 37.43 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 124.756 1.223 . . . . 0.0 111.723 -174.401 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 86.4 mtp -45.25 -43.18 10.2 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.437 0.695 . . . . 0.0 111.387 176.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 33.0 mm -90.3 -62.2 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 C-N-CA 123.714 0.806 . . . . 0.0 110.326 -175.262 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -74.75 -32.23 62.02 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -168.394 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -64.38 -84.6 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 119.384 0.993 . . . . 0.0 112.358 -167.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 . . . . . 0 C--O 1.234 0.248 0 C-N-CA 124.916 1.286 . . . . 0.0 110.54 -174.117 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.4 mp . . . . . 0 CA--C 1.537 0.459 0 N-CA-C 107.686 -1.228 . . . . 0.0 107.686 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.42 -44.83 11.25 Favored Glycine 0 C--O 1.225 -0.415 0 C-N-CA 127.78 2.61 . . . . 0.0 112.01 -179.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.72 -52.66 55.29 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 117.789 0.794 . . . . 0.0 109.999 176.41 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.1 mp -69.2 -37.38 78.08 Favored 'General case' 0 CA--C 1.531 0.233 0 O-C-N 121.707 -0.621 . . . . 0.0 110.819 -177.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.5 mm -60.5 -43.14 93.68 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 O-C-N 121.665 -0.647 . . . . 0.0 110.445 173.263 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.71 -57.87 14.44 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 109.9 -1.28 . . . . 0.0 109.9 174.472 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 75.0 mt -56.31 -47.4 81.24 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 C-N-CA 122.974 0.509 . . . . 0.0 111.261 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -38.46 -62.7 0.57 Allowed 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 115.726 1.751 . . . . 0.0 115.726 -167.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -82.77 9.47 9.67 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -174.596 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 tptp -64.62 -34.33 78.03 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 119.218 0.917 . . . . 0.0 112.366 -176.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.407 ' CZ ' ' HG ' ' A' ' 37' ' ' LEU . 86.3 m-85 -72.44 156.3 39.19 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 -166.673 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 96.1 p . . . . . 0 N--CA 1.454 -0.23 0 C-N-CA 128.437 2.695 . . . . 0.0 114.932 -174.267 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm . . . . . 0 N--CA 1.451 -0.376 0 N-CA-C 102.025 -3.324 . . . . 0.0 102.025 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.3 p-80 -51.74 -38.2 54.32 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 126.637 1.975 . . . . 0.0 110.724 -169.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.1 p -134.57 150.14 50.7 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 106.166 -1.79 . . . . 0.0 106.166 168.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -107.43 179.42 4.25 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.962 1.705 . . . . 0.0 107.913 174.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.2 p -158.71 96.79 1.4 Allowed 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.092 -1.005 . . . . 0.0 110.297 -178.056 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.283 0.1 OUTLIER 58.02 -61.63 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 128.622 2.769 . . . . 0.0 115.901 175.196 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.08 -42.23 85.12 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.508 0.723 . . . . 0.0 110.009 -172.101 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 59.2 mp0 -60.49 -46.49 89.93 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 175.266 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -60.81 -39.92 90.78 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 -176.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -61.75 -45.09 95.39 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 118.076 0.398 . . . . 0.0 111.844 171.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -55.97 -35.97 67.33 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 121.753 0.787 . . . . 0.0 111.371 173.499 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.462 ' CD2' ' HG ' ' A' ' 42' ' ' LEU . 4.9 tt -89.02 -78.89 0.33 Allowed 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 127.262 2.225 . . . . 0.0 111.889 -168.27 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 7.5 pt -54.91 -37.77 42.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.175 0 C-N-CA 123.746 0.818 . . . . 0.0 112.599 -166.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -68.06 -29.96 69.05 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 122.943 0.497 . . . . 0.0 110.728 -175.264 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -91.73 -62.31 1.45 Allowed 'General case' 0 C--O 1.235 0.291 0 C-N-CA 123.015 0.526 . . . . 0.0 110.624 175.187 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.3 mp0 -86.47 -100.69 0.07 Allowed 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.084 0.954 . . . . 0.0 111.968 -169.251 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.462 ' HG ' ' CD2' ' A' ' 37' ' ' LEU . 23.0 mt -28.66 -93.51 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 116.967 2.21 . . . . 0.0 116.967 -164.217 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.9 p -81.39 48.54 1.17 Allowed 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 124.203 1.001 . . . . 0.0 112.799 -166.393 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.8 tt . . . . . 0 CA--C 1.527 0.074 0 C-N-CA 124.311 1.044 . . . . 0.0 109.273 175.716 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 64.3 tp . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.3 tpt -62.22 -53.66 52.05 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.091 0.405 . . . . 0.0 110.993 -177.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -35.01 -64.46 0.27 Allowed 'General case' 0 C--N 1.337 0.065 0 C-N-CA 126.374 1.869 . . . . 0.0 110.659 -176.378 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -55.96 -13.07 1.66 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.886 1.674 . . . . 0.0 114.412 -169.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.0 mt -90.74 -36.42 14.31 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.919 1.288 . . . . 0.0 111.766 -175.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -54.64 -45.58 73.81 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-O 121.374 0.607 . . . . 0.0 109.616 -177.428 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 25.3 ptt85 -65.24 23.14 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.496 1.918 . . . . 0.0 114.634 174.012 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -29.51 -34.43 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 129.77 3.228 . . . . 0.0 117.412 -176.189 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -72.86 57.05 0.43 Allowed 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 119.665 1.121 . . . . 0.0 109.714 172.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -55.04 -24.15 23.43 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.644 1.578 . . . . 0.0 110.947 176.297 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -57.98 -47.83 81.81 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.286 0.634 . . . . 0.0 112.656 170.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -154.91 112.05 3.33 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 126.351 1.86 . . . . 0.0 107.613 -169.377 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.4 t -115.9 126.11 73.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -176.07 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -110.54 179.62 4.02 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 125.118 1.367 . . . . 0.0 108.563 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -53.27 -39.78 64.16 Favored 'General case' 0 C--O 1.221 -0.397 0 C-N-CA 123.373 0.669 . . . . 0.0 109.327 172.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.22 -53.85 31.21 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.459 1.104 . . . . 0.0 111.028 -177.476 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 58.4 mp0 -64.89 -55.33 20.02 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 177.2 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -45.65 -41.59 10.46 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.981 1.312 . . . . 0.0 112.826 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 9.3 tp -82.57 -45.21 19.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.291 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.0 m -48.35 -46.7 37.05 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 119.465 1.03 . . . . 0.0 109.875 176.096 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -50.21 -55.86 13.49 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 127.305 2.242 . . . . 0.0 111.688 177.21 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 92.9 mt -58.07 -48.62 79.59 Favored 'General case' 0 C--O 1.224 -0.24 0 O-C-N 121.72 -0.613 . . . . 0.0 109.667 171.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -43.96 -37.28 4.14 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 126.165 1.841 . . . . 0.0 113.495 175.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -82.97 -60.49 2.14 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 117.763 0.782 . . . . 0.0 112.396 173.151 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -78.82 -34.06 45.59 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 -166.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . 0.312 . . -61.91 -21.94 65.17 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 117.25 2.315 . . . . 0.0 117.25 -166.271 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 2.1 mmm -69.89 -35.68 74.82 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 120.725 1.602 . . . . 0.0 108.064 173.127 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 30.6 mm -69.59 -53.11 26.29 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 -179.135 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -91.27 -49.47 6.35 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 114.946 1.462 . . . . 0.0 114.946 -170.797 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -95.23 -104.73 0.15 Allowed 'General case' 0 C--N 1.346 0.428 0 CA-C-N 119.932 1.242 . . . . 0.0 111.377 -170.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 . . . . . 0 N--CA 1.445 -0.721 1 C-N-CA 131.798 4.039 . . . . 0.0 104.552 176.057 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.7 mp -58.09 -53.93 39.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 175.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.28 -46.0 28.09 Favored Glycine 0 CA--C 1.532 1.141 0 CA-C-N 118.33 0.514 . . . . 0.0 111.861 176.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 49.2 tp -56.02 -27.4 52.89 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.24 1.016 . . . . 0.0 112.044 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.75 -43.04 99.63 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 120.408 1.458 . . . . 0.0 110.639 174.441 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -68.11 -42.24 84.87 Favored 'Isoleucine or valine' 0 C--N 1.342 0.271 0 CA-C-N 118.762 0.71 . . . . 0.0 109.258 169.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -46.11 -59.21 5.23 Favored Glycine 0 CA--C 1.533 1.204 0 CA-C-N 118.806 0.73 . . . . 0.0 111.851 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 21.5 mm -58.34 -52.74 55.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 125.435 1.494 . . . . 0.0 110.069 176.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' PHE . . . . . 0.431 ' CD2' ' HD2' ' B' ' 70' ' ' PHE . 5.7 t80 -37.14 -76.44 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 125.165 1.386 . . . . 0.0 114.456 -167.49 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -71.04 -21.19 62.29 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 122.253 -0.279 . . . . 0.0 111.464 -176.408 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.32 -33.85 72.0 Favored 'General case' 0 C--N 1.341 0.206 0 O-C-N 121.496 -0.752 . . . . 0.0 109.699 -179.653 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -78.51 53.44 1.3 Allowed 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 121.995 0.902 . . . . 0.0 111.132 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 7.1 m -129.67 25.85 5.34 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 126.216 1.807 . . . . 0.0 110.135 168.305 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.618 0 C-N-CA 126.435 1.969 . . . . 0.0 113.905 168.048 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 39.5 mmtm . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 14.2 p80 -76.88 60.87 1.83 Allowed 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.444 0.698 . . . . 0.0 109.9 -177.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 3.3 p -163.61 162.69 24.43 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 128.175 2.59 . . . . 0.0 105.48 -171.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 mp -111.36 131.4 55.2 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 104.833 -2.284 . . . . 0.0 104.833 168.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 28.0 m -87.97 152.93 21.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 118.558 0.617 . . . . 0.0 110.722 -174.153 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 7.4 pttm -59.73 140.63 56.34 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.878 -0.514 . . . . 0.0 109.866 175.436 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . 0.409 0.0 OUTLIER 92.04 -41.71 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 129.979 3.311 . . . . 0.0 110.834 -169.674 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 58.3 mp0 -66.56 -36.36 82.45 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.902 1.228 . . . . 0.0 111.45 174.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.91 -49.5 75.92 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 119.497 1.044 . . . . 0.0 109.544 174.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.77 -25.85 12.52 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.184 0.594 . . . . 0.0 111.3 171.196 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -77.86 -58.93 3.0 Favored 'General case' 0 N--CA 1.449 -0.514 0 O-C-N 121.048 -1.033 . . . . 0.0 111.502 177.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . 0.278 4.0 pp -53.67 -41.83 67.27 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -178.123 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 20.8 tt -60.86 -34.53 59.78 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 120.294 -0.563 . . . . 0.0 111.754 178.434 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 11.8 tp60 -72.45 -60.79 2.06 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 119.187 -0.435 . . . . 0.0 111.131 -169.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 16.2 mtmm -93.57 -63.68 1.18 Allowed 'General case' 0 CA--C 1.529 0.168 0 CA-C-O 121.57 0.7 . . . . 0.0 110.361 -175.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 33.5 mp0 -54.2 -55.46 27.74 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 126.803 2.041 . . . . 0.0 111.473 -167.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 22.1 mt -63.06 -9.68 11.37 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 178.394 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 32.1 m 73.22 -68.08 0.24 Allowed 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 125.227 1.411 . . . . 0.0 113.201 168.134 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 43.6 pt 38.53 44.63 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 126.784 2.034 . . . . 0.0 113.477 -178.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.608 0 N-CA-C 109.207 -1.557 . . . . 0.0 109.207 179.591 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 58' ' ' ASP . . . . . 0.473 ' C ' ' H ' ' B' ' 60' ' ' LEU . 60.9 m-20 . . . . . 0 CA--C 1.518 -0.263 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -68.2 32.03 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.856 1.662 . . . . 0.0 108.543 163.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.473 ' H ' ' C ' ' B' ' 58' ' ' ASP . 25.4 tp -47.37 -19.89 0.18 Allowed 'General case' 0 C--N 1.348 0.509 0 C-N-CA 129.446 3.098 . . . . 0.0 112.398 -170.253 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -36.46 -37.26 0.12 Allowed 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.878 2.071 . . . . 0.0 110.021 162.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.65 -10.98 21.7 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 126.483 1.913 . . . . 0.0 113.549 -177.121 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -51.34 -37.69 49.14 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.897 0.879 . . . . 0.0 109.252 168.356 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . 0.267 18.1 pttp 60.63 -53.43 0.09 Allowed 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 118.191 2.663 . . . . 0.0 118.191 168.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -78.06 32.57 0.18 Allowed 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 120.426 1.466 . . . . 0.0 113.544 -166.603 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.2 -174.11 0.86 Allowed 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 127.014 2.126 . . . . 0.0 106.735 -177.157 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -110.66 159.69 17.36 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 105.361 -2.089 . . . . 0.0 105.361 165.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 25.0 t -97.07 149.58 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 123.437 0.695 . . . . 0.0 109.251 -168.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -107.12 166.4 10.65 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.717 1.207 . . . . 0.0 110.451 176.644 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.431 ' HD2' ' CD2' ' B' ' 16' ' ' PHE . 7.4 t80 -48.81 -48.62 41.31 Favored 'General case' 0 C--N 1.343 0.304 0 C-N-CA 124.26 1.024 . . . . 0.0 110.526 -175.696 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -51.96 -56.23 15.47 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 122.866 0.466 . . . . 0.0 109.775 -174.519 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -56.0 -50.33 71.15 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 122.859 0.464 . . . . 0.0 110.488 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -48.56 -66.43 0.4 Allowed 'General case' 0 C--O 1.231 0.09 0 C-N-CA 123.733 0.813 . . . . 0.0 110.286 175.315 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 9.2 tp -62.54 -32.79 56.49 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 -171.258 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 85.2 m -62.14 -46.48 88.79 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 118.453 -0.784 . . . . 0.0 111.1 174.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . 0.276 0.3 OUTLIER -65.35 -44.22 88.37 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 119.798 1.181 . . . . 0.0 110.597 176.903 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 6.9 mp -51.78 -37.96 53.58 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.436 -0.79 . . . . 0.0 111.224 169.322 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -69.58 -45.17 60.57 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 124.481 1.039 . . . . 0.0 112.802 178.392 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.41 -48.68 74.01 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.459 0.703 . . . . 0.0 109.278 174.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 85.7 mt -59.53 -48.54 81.26 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 119.215 -0.421 . . . . 0.0 110.537 171.448 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -46.02 -57.38 4.48 Favored 'General case' 0 CA--C 1.517 -0.318 0 C-N-CA 125.476 1.51 . . . . 0.0 111.732 -175.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 75.2 mtm -42.85 -47.5 5.58 Favored 'General case' 0 CA--C 1.529 0.168 0 O-C-N 124.268 0.98 . . . . 0.0 110.461 178.187 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 65.2 mt -77.55 -73.98 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.628 0 C-N-CA 124.061 0.944 . . . . 0.0 110.267 -177.04 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.45 -25.96 68.24 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 113.348 0.869 . . . . 0.0 113.348 -167.656 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -68.64 -55.84 10.17 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 119.159 0.891 . . . . 0.0 110.702 -179.13 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 27.1 pt-20 . . . . . 0 C--N 1.332 -0.192 0 N-CA-C 115.636 1.717 . . . . 0.0 115.636 -174.709 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 43.1 mm . . . . . 0 CA--C 1.534 0.353 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.53 -53.19 13.08 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 123.653 0.644 . . . . 0.0 112.275 169.528 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.5 mt -57.08 -48.13 79.34 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 121.281 -1.129 . . . . 0.0 110.53 177.242 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 mp -57.77 -40.74 80.51 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.32 0.648 . . . . 0.0 111.645 178.006 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 67.4 mt -58.83 -44.57 90.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 C-N-CA 123.856 0.862 . . . . 0.0 109.478 171.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -50.06 -64.21 3.71 Favored Glycine 0 CA--C 1.528 0.859 0 N-CA-C 110.427 -1.069 . . . . 0.0 110.427 171.296 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.8 mp -52.58 -48.43 47.54 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 117.731 0.765 . . . . 0.0 110.172 -177.59 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -43.12 -73.82 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 124.351 1.061 . . . . 0.0 110.178 170.665 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . 0.331 1.0 OUTLIER -75.0 -7.12 52.73 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 115.177 1.547 . . . . 0.0 115.177 -170.811 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -64.0 -20.01 65.59 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 118.738 -0.648 . . . . 0.0 112.406 170.602 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -87.72 -40.02 14.47 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 120.022 1.283 . . . . 0.0 110.83 -179.624 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.3 p . . . . . 0 CA--C 1.538 0.51 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 179.306 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? . . . . . 0 CA--C 1.534 0.359 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -167.1 -44.88 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.043 0.937 . . . . 0.0 110.067 169.3 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 48.3 p -98.46 -149.32 0.34 Allowed 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 169.688 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 21.1 mt -138.43 134.39 34.01 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 106.218 -1.771 . . . . 0.0 106.218 167.614 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.4 m -68.44 140.04 55.75 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 173.667 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -43.24 -51.28 6.23 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.163 1.385 . . . . 0.0 111.547 -177.193 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.8 tmtt? -48.49 -43.95 35.37 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.599 1.16 . . . . 0.0 111.834 177.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -66.29 -39.09 89.13 Favored 'General case' 0 N--CA 1.451 -0.424 0 O-C-N 121.845 -0.534 . . . . 0.0 109.88 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 34' ' ' LEU . 18.5 tp -66.03 -37.49 86.0 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 119.712 -0.795 . . . . 0.0 110.238 177.652 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -59.53 -37.63 78.88 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 118.068 0.394 . . . . 0.0 111.925 171.338 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -68.37 -44.39 75.3 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 123.167 1.46 . . . . 0.0 110.702 176.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 tt -62.45 -66.55 0.52 Allowed 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 125.379 1.472 . . . . 0.0 109.822 -177.045 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -35.9 -49.13 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 C-N-CA 125.462 1.505 . . . . 0.0 113.797 -169.224 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -51.22 -39.23 56.11 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 118.706 -0.664 . . . . 0.0 112.403 -169.17 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.23 -86.92 0.26 Allowed 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 121.476 0.655 . . . . 0.0 112.636 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.4 mp0 -50.76 -46.72 59.53 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 126.455 1.902 . . . . 0.0 114.743 -165.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.4 mt -77.16 -9.89 59.05 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -168.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.1 p -73.76 177.07 5.74 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 118.454 0.57 . . . . 0.0 110.633 -175.414 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 31.7 pt . . . . . 0 CA--C 1.54 0.563 0 CA-C-O 121.191 0.52 . . . . 0.0 110.955 169.792 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 66.8 tp . . . . . 0 C--O 1.234 0.26 0 CA-C-O 118.961 -0.542 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 66.9 mtt -90.36 -55.15 3.71 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 122.998 0.519 . . . . 0.0 111.876 -175.529 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.48 -19.39 56.57 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 126.211 1.804 . . . . 0.0 115.379 -168.767 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -57.94 -7.19 0.69 Allowed 'General case' 0 CA--C 1.556 1.183 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.541 165.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 pp -36.69 -15.88 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 131.088 3.755 . . . . 0.0 117.413 177.521 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.41 -17.42 0.76 Allowed 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 119.036 0.835 . . . . 0.0 109.32 163.706 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -39.61 -46.09 1.74 Allowed 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.899 -0.5 . . . . 0.0 111.699 165.5 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -63.36 -75.79 0.07 Allowed 'General case' 0 C--N 1.338 0.08 0 N-CA-C 115.097 1.517 . . . . 0.0 115.097 -167.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -63.97 130.12 42.8 Favored 'General case' 0 N--CA 1.436 -1.131 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 -164.121 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 19.02 43.86 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.389 1 C-N-CA 134.104 4.961 . . . . 0.0 116.035 167.521 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 59.13 -121.76 1.15 Allowed 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.37 1.068 . . . . 0.0 110.575 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -59.66 157.83 11.16 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 119.277 0.944 . . . . 0.0 111.205 -173.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.0 m -122.95 129.14 75.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 113.094 0.775 . . . . 0.0 113.094 -164.344 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -105.06 -164.66 1.06 Allowed 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 169.614 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -57.64 -40.52 79.45 Favored 'General case' 0 C--N 1.339 0.143 0 CA-C-N 119.053 0.842 . . . . 0.0 110.738 -178.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.76 -61.78 2.04 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 176.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.4 mp0 -56.72 -48.5 77.6 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-O 118.898 -0.572 . . . . 0.0 111.129 -179.372 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -50.57 -57.48 8.06 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.489 0.715 . . . . 0.0 111.051 178.438 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 7.6 mm -62.28 -47.1 94.64 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.136 0 CA-C-O 121.066 0.46 . . . . 0.0 110.386 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.41 ' HA ' ' CG2' ' B' ' 74' ' ' ILE . 31.0 m -54.21 -47.5 72.06 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.656 1.182 . . . . 0.0 110.923 -176.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -56.05 -60.65 3.19 Favored 'General case' 0 N--CA 1.436 -1.174 0 C-N-CA 125.039 1.336 . . . . 0.0 110.038 169.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -38.84 -60.88 0.79 Allowed 'General case' 0 C--N 1.343 0.289 0 C-N-CA 124.217 1.007 . . . . 0.0 111.95 176.518 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.19 -53.88 32.16 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 174.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.7 -36.68 57.69 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 118.338 1.069 . . . . 0.0 112.868 -179.115 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 40.9 mt -51.68 -30.39 21.76 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.805 0.73 . . . . 0.0 111.748 175.619 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -49.32 -44.83 44.72 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.375 0.67 . . . . 0.0 111.157 173.363 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 72.3 mtm -62.12 -17.61 58.28 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.245 0.618 . . . . 0.0 112.289 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 20.9 mm -93.66 -70.77 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 C-N-CA 124.033 0.933 . . . . 0.0 109.369 169.47 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -77.52 -41.04 40.67 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 113.866 1.062 . . . . 0.0 113.866 -168.195 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -92.53 21.08 5.65 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.579 0.751 . . . . 0.0 111.544 -176.686 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 . . . . . 0 N--CA 1.444 -0.726 0 CA-C-O 122.277 1.036 . . . . 0.0 112.095 -168.547 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.145 0 CA-C-O 120.693 0.282 . . . . 0.0 110.773 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 58.5 mt -45.97 -43.58 4.74 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 C-N-CA 125.204 1.402 . . . . 0.0 110.049 174.096 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -40.41 -49.26 3.81 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 124.991 1.281 . . . . 0.0 112.878 172.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 63.3 tp -62.45 -47.49 83.8 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.128 0.964 . . . . 0.0 110.178 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.68 -40.28 94.41 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 119.281 -0.39 . . . . 0.0 110.632 -178.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 71.3 mt -61.28 -51.28 74.89 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.141 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 172.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -45.27 -55.26 6.78 Favored Glycine 0 C--N 1.336 0.55 0 N-CA-C 110.019 -1.232 . . . . 0.0 110.019 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 94.9 mt -60.68 -61.25 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 CA-C-O 119.179 -0.439 . . . . 0.0 110.077 177.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -38.53 -62.77 0.56 Allowed 'General case' 0 C--N 1.344 0.349 0 C-N-CA 125.148 1.379 . . . . 0.0 111.072 179.259 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . 0.294 0.9 OUTLIER -90.72 16.78 8.58 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -175.195 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 tmtm? -74.66 -50.32 18.11 Favored 'General case' 0 C--N 1.338 0.094 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 166.201 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -83.21 44.85 0.98 Allowed 'General case' 0 CA--C 1.518 -0.268 0 C-N-CA 124.219 1.008 . . . . 0.0 111.255 -176.223 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 19.4 m -79.38 51.73 1.26 Allowed 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.455 0.702 . . . . 0.0 110.393 177.264 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 0.461 0 N-CA-C 107.705 -2.158 . . . . 0.0 107.705 -178.374 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? . . . . . 0 CA--C 1.535 0.385 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -76.06 -22.77 55.28 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -167.036 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 22.0 p -105.33 163.92 12.24 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.414 1.086 . . . . 0.0 109.968 172.034 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 85.5 mt -117.27 129.48 55.94 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.805 1.642 . . . . 0.0 109.242 176.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 90.6 p -86.7 153.51 21.68 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 125.12 1.368 . . . . 0.0 108.529 170.148 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.5 mttp -54.48 -31.92 56.8 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 115.101 1.519 . . . . 0.0 115.101 -169.134 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 2.2 tmtm? -56.48 -38.15 71.32 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 119.477 1.035 . . . . 0.0 111.672 173.228 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -68.07 -47.5 68.12 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 178.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.41 -45.22 72.92 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-O 118.552 -0.737 . . . . 0.0 112.447 176.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 9.4 mmpt? -53.86 -31.27 49.02 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 119.119 0.872 . . . . 0.0 111.719 177.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -75.98 -54.96 6.09 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-O 121.944 0.878 . . . . 0.0 110.36 174.12 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.07 -47.06 75.37 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 125.765 1.626 . . . . 0.0 111.838 -173.203 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 10.1 pt -67.03 -24.6 32.55 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-N 118.203 0.456 . . . . 0.0 112.165 177.268 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -61.79 -44.47 96.81 Favored 'General case' 0 N--CA 1.448 -0.528 0 O-C-N 121.99 -0.444 . . . . 0.0 110.077 -169.125 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -90.83 -102.96 0.1 Allowed 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 -173.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.95 -34.98 12.17 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 120.381 3.474 . . . . 0.0 120.381 -161.187 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -41.15 -50.19 3.51 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 -165.186 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 56.3 p -25.85 -83.56 0.0 OUTLIER 'General case' 0 C--O 1.231 0.102 0 C-N-CA 128.057 2.543 . . . . 0.0 112.417 -169.478 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mt -106.34 39.46 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 126.276 1.831 . . . . 0.0 107.984 -179.467 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.341 0.834 0 C-N-CA 127.834 2.635 . . . . 0.0 113.885 -170.047 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 21.1 t70 . . . . . 0 N--CA 1.468 0.428 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -66.49 9.2 0.18 Allowed 'General case' 0 CA--C 1.552 1.054 0 O-C-N 121.525 -0.734 . . . . 0.0 110.628 165.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.6 mt -53.72 -7.75 0.13 Allowed 'General case' 0 C--N 1.348 0.517 0 C-N-CA 127.178 2.191 . . . . 0.0 111.338 165.216 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -41.68 -28.59 0.15 Allowed 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.887 1.275 . . . . 0.0 109.603 160.283 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -51.67 -13.52 0.26 Allowed 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.946 1.461 . . . . 0.0 114.946 172.137 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -25.6 -80.44 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 130.241 3.416 . . . . 0.0 114.792 -169.415 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 10.4 pttp 178.92 -42.11 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 123.807 0.843 . . . . 0.0 110.847 178.129 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -71.64 3.2 4.22 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -168.21 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . 0.263 0.1 OUTLIER 75.74 -103.85 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.44 1.496 . . . . 0.0 112.698 168.411 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -73.72 146.36 44.46 Favored 'General case' 0 C--O 1.231 0.112 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 -176.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 93.7 t -107.76 125.73 64.2 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 CA-C-O 121.606 0.717 . . . . 0.0 112.623 -168.109 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -101.92 175.55 5.51 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 105.502 -2.036 . . . . 0.0 105.502 165.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -53.73 -45.55 70.56 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 119.189 0.904 . . . . 0.0 111.164 -176.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -53.86 -39.12 65.4 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.077 0.551 . . . . 0.0 110.701 178.728 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.51 -29.99 37.25 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 119.401 1.001 . . . . 0.0 111.776 -179.344 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -60.91 -46.32 91.12 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 169.493 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 74' ' ' ILE . . . . . 0.41 ' CG2' ' HA ' ' A' ' 75' ' ' THR . 24.4 mm -67.46 -37.72 79.39 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 CA-C-O 117.767 -1.111 . . . . 0.0 110.677 177.585 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 2.9 m -38.74 -52.57 1.69 Allowed 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 120.208 1.367 . . . . 0.0 112.018 -179.094 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -77.49 -49.45 14.73 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 119.535 -0.866 . . . . 0.0 112.283 178.496 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.25 -37.84 75.73 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 118.933 0.788 . . . . 0.0 111.064 -173.541 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.94 -45.81 79.4 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 124.697 1.141 . . . . 0.0 112.914 169.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.98 -50.39 73.59 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 118.299 1.05 . . . . 0.0 109.353 175.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -52.66 -42.13 64.44 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.187 174.648 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.96 -46.92 87.16 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 118.814 0.734 . . . . 0.0 110.273 178.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 8.8 ttt -50.92 -45.71 60.52 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 173.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 96.5 mt -67.5 -63.16 0.98 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 122.921 0.489 . . . . 0.0 111.434 -179.495 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -68.69 -34.97 76.58 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 120.951 -1.093 . . . . 0.0 112.036 -171.453 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -91.3 25.52 2.53 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.692 1.197 . . . . 0.0 112.07 -175.083 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.541 0.599 0 N-CA-C 116.699 2.111 . . . . 0.0 116.699 -168.216 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 45.7 mt . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -44.77 -47.57 9.2 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 124.936 1.255 . . . . 0.0 111.715 172.356 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -66.2 -51.92 53.01 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.113 0.956 . . . . 0.0 109.841 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.8 mp -52.98 -47.76 67.94 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 118.225 0.466 . . . . 0.0 111.386 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 90.8 mt -65.2 -44.33 95.26 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.135 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 175.483 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -50.58 -53.6 24.48 Favored Glycine 0 C--O 1.223 -0.593 0 C-N-CA 125.307 1.432 . . . . 0.0 111.179 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 33.9 mm -58.26 -60.98 1.56 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 CA-C-N 117.918 0.859 . . . . 0.0 109.893 178.087 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -38.79 -59.3 0.97 Allowed 'General case' 0 C--N 1.341 0.212 0 C-N-CA 124.94 1.296 . . . . 0.0 111.401 176.189 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . 0.331 0.1 OUTLIER -90.07 -12.64 37.83 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 -170.626 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 43.8 tttm -62.06 -45.1 95.05 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 166.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.505 ' HB2' HD13 ' A' ' 29' ' ' LEU . 11.0 m-30 -78.51 52.35 1.16 Allowed 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 122.583 1.182 . . . . 0.0 110.537 -176.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 83.0 p . . . . . 0 N--CA 1.445 -0.716 0 CA-C-O 122.357 1.075 . . . . 0.0 109.49 176.441 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? . . . . . 0 CA--C 1.539 0.532 0 CA-C-O 121.837 0.827 . . . . 0.0 112.013 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -145.81 -62.41 0.33 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 128.794 2.838 . . . . 0.0 105.537 174.548 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.57 160.73 19.6 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 127.149 2.18 . . . . 0.0 111.008 -172.452 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.505 HD13 ' HB2' ' A' ' 19' ' ' TYR . 3.0 tp -94.54 125.42 39.17 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 124.955 1.302 . . . . 0.0 107.786 -176.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.6 m -65.73 131.29 45.97 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.8 pttm -54.97 -32.13 61.31 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.491 -0.755 . . . . 0.0 112.268 176.004 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.23 -59.2 2.85 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -177.656 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -55.89 -26.27 46.57 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.313 0.961 . . . . 0.0 112.885 173.275 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.6 tt -54.61 -34.25 61.73 Favored 'General case' 0 C--N 1.342 0.249 0 CA-C-N 120.238 1.381 . . . . 0.0 110.103 171.35 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.411 ' HA ' HG22 ' A' ' 38' ' ' ILE 0.287 5.1 mptt -67.98 -1.18 5.27 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 120.493 -1.38 . . . . 0.0 113.864 176.625 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -74.84 -47.34 30.96 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 163.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 tt -47.16 -52.48 15.44 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 126.845 2.058 . . . . 0.0 109.783 178.118 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.411 HG22 ' HA ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -60.41 -44.46 96.19 Favored 'Isoleucine or valine' 0 C--N 1.343 0.3 0 C-N-CA 120.33 -0.548 . . . . 0.0 111.202 -176.449 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.17 -60.99 2.89 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 -177.594 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.41 ' NZ ' ' OE2' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -92.99 -84.18 0.3 Allowed 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.974 1.102 . . . . 0.0 113.974 -173.143 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.41 ' OE2' ' NZ ' ' A' ' 40' ' ' LYS . 18.2 mp0 -44.11 -57.22 3.52 Favored 'General case' 0 C--O 1.231 0.101 0 N-CA-C 115.877 1.806 . . . . 0.0 115.877 -164.396 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . 0.305 0.2 OUTLIER -68.45 -2.25 8.25 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 118.378 -1.329 . . . . 0.0 113.332 -171.79 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.0 m 60.69 -114.77 0.63 Allowed 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.095 -1.003 . . . . 0.0 110.283 168.426 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.6 mt . . . . . 0 CA--C 1.534 0.331 0 C-N-CA 124.042 0.937 . . . . 0.0 111.39 178.042 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 CA--C 1.535 0.371 0 N-CA-C 110.27 -0.271 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 27.2 ttt -57.48 -52.35 65.75 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 122.131 -0.356 . . . . 0.0 110.628 175.004 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -61.25 -33.83 74.16 Favored 'General case' 0 CA--C 1.522 -0.127 0 O-C-N 121.413 -0.804 . . . . 0.0 111.85 178.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -67.75 15.99 0.04 OUTLIER 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 170.534 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.4 mt -55.44 -27.6 49.09 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 120.304 1.411 . . . . 0.0 108.409 163.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.71 -38.83 10.48 Favored 'General case' 0 C--N 1.346 0.448 0 CA-C-O 121.857 0.837 . . . . 0.0 111.138 169.151 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.77 -11.18 60.05 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 113.383 0.883 . . . . 0.0 113.383 -176.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -55.36 -38.71 69.14 Favored 'General case' 0 CA--C 1.521 -0.15 0 C-N-CA 123.906 0.882 . . . . 0.0 113.363 -174.387 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -152.5 162.05 41.74 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 107.192 -1.411 . . . . 0.0 107.192 170.45 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 75.55 -35.49 0.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 127.081 2.152 . . . . 0.0 112.788 169.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 74.24 -73.0 0.1 Allowed 'General case' 0 N--CA 1.457 -0.088 0 C-N-CA 125.751 1.62 . . . . 0.0 109.424 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -80.9 78.89 7.66 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 105.052 -2.203 . . . . 0.0 105.052 169.166 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 13.0 m -52.72 147.93 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 N-CA-C 115.874 1.805 . . . . 0.0 115.874 -166.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.2 p30 -81.9 174.93 10.83 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.494 1.118 . . . . 0.0 110.051 169.624 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -61.74 -37.06 82.84 Favored 'General case' 0 C--O 1.225 -0.22 0 C-N-CA 123.56 0.744 . . . . 0.0 112.452 -176.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -64.44 -51.06 65.03 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 118.899 0.772 . . . . 0.0 109.951 176.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.25 -49.55 73.85 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.476 0.58 . . . . 0.0 110.173 178.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -47.16 -58.26 4.25 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.608 0.763 . . . . 0.0 110.73 171.04 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.3 mm -57.74 -43.76 84.52 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 C-N-CA 123.967 0.907 . . . . 0.0 111.478 -176.122 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -54.08 -52.34 61.27 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 115.366 1.617 . . . . 0.0 115.366 -167.357 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . 0.274 24.2 p90 -65.39 -43.05 91.88 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 117.526 -1.669 . . . . 0.0 111.222 -178.6 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 44.5 mt -50.9 -48.69 60.43 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.299 0.64 . . . . 0.0 110.347 176.012 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -60.11 -59.07 11.06 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 176.015 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.7 -54.24 10.05 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 124.407 1.083 . . . . 0.0 110.777 -178.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 39.0 mt -56.98 -23.44 45.9 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.502 1.121 . . . . 0.0 112.164 -178.659 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.21 -42.57 69.93 Favored 'General case' 0 C--N 1.339 0.139 0 CA-C-N 119.842 1.201 . . . . 0.0 111.249 173.751 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 67.0 mtm -59.97 -21.04 60.71 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 119.034 -0.508 . . . . 0.0 111.256 178.007 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 32.2 mm -91.74 -73.7 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 C-N-CA 124.201 1.0 . . . . 0.0 110.549 172.154 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . 0.256 0.1 OUTLIER -71.31 -21.81 62.02 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 114.509 1.299 . . . . 0.0 114.509 -168.066 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -91.18 22.59 3.71 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 119.286 0.948 . . . . 0.0 111.434 -176.267 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 . . . . . 0 N--CA 1.445 -0.676 0 CA-C-O 122.946 1.355 . . . . 0.0 112.942 -169.849 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.228 0 N-CA-C 111.288 0.107 . . . . 0.0 111.288 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 59.2 mt -53.33 -51.56 39.53 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 177.54 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.09 -50.88 43.77 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 123.913 0.768 . . . . 0.0 111.324 175.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 7.8 tt -54.59 -55.62 27.47 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.623 0.769 . . . . 0.0 109.445 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 8.9 mp -54.13 -49.74 68.5 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 118.279 0.491 . . . . 0.0 110.642 177.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 48.1 mt -64.53 -31.07 52.09 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 123.354 0.661 . . . . 0.0 112.256 -175.601 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -84.47 -51.0 4.04 Favored Glycine 0 CA--C 1.532 1.105 0 C-N-CA 124.171 0.891 . . . . 0.0 111.78 179.105 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 7.5 tt -58.67 -32.79 47.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 O-C-N 122.047 -0.678 . . . . 0.0 109.938 -177.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -35.79 -43.85 0.32 Allowed 'General case' 0 C--N 1.343 0.319 0 C-N-CA 126.109 1.764 . . . . 0.0 113.772 168.182 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -94.31 -46.26 7.13 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 120.792 0.329 . . . . 0.0 111.505 -178.544 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 8.8 mmtm -48.3 -33.55 9.03 Favored 'General case' 0 N--CA 1.462 0.127 0 N-CA-C 117.408 2.374 . . . . 0.0 117.408 -167.059 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . 0.269 14.1 m-30 -55.87 143.72 30.57 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.215 0.916 . . . . 0.0 112.975 -168.169 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 16.9 m 71.49 -28.54 0.18 Allowed 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 127.736 2.415 . . . . 0.0 113.081 -166.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.914 0 CA-C-N 119.791 1.178 . . . . 0.0 111.937 179.645 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 48.9 mttp . . . . . 0 CA--C 1.534 0.332 0 CA-C-O 120.328 0.108 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 35.0 p80 -120.76 -158.38 0.75 Allowed 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.67 0.788 . . . . 0.0 110.926 -169.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 15.1 p -44.7 140.74 2.34 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 126.412 1.885 . . . . 0.0 111.239 171.573 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 52.0 mt -70.47 124.52 24.4 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.383 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.07 60.79 4.37 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 124.199 1.0 . . . . 0.0 109.914 -175.387 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp 68.71 -76.93 0.05 Allowed 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 124.57 1.148 . . . . 0.0 112.898 172.029 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -55.06 -45.63 75.32 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 119.484 1.038 . . . . 0.0 110.729 -170.73 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -44.82 -39.34 5.22 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.789 0.836 . . . . 0.0 112.797 172.598 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.58 -36.41 69.33 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 119.091 0.86 . . . . 0.0 110.775 -178.779 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 27.8 mmtt -62.91 -24.58 67.91 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 120.988 -1.07 . . . . 0.0 113.133 -177.01 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -60.15 -49.69 76.65 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-O 122.187 0.994 . . . . 0.0 109.023 172.551 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 tt -54.04 -54.03 44.92 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 114.726 -1.124 . . . . 0.0 109.144 177.561 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . 0.282 0.8 OUTLIER -63.98 -43.13 97.57 Favored 'Isoleucine or valine' 0 C--N 1.341 0.219 0 C-N-CA 119.037 -1.065 . . . . 0.0 111.815 -173.579 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -67.85 -45.87 73.39 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 118.764 -1.175 . . . . 0.0 111.12 -177.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -94.26 -90.18 0.21 Allowed 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 16.2 mp0 -47.92 -29.27 3.21 Favored 'General case' 0 N--CA 1.462 0.141 0 N-CA-C 116.701 2.111 . . . . 0.0 116.701 -165.005 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 70.2 mt -54.49 -22.44 12.86 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 119.844 1.202 . . . . 0.0 113.023 174.571 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 31.1 m 77.76 -58.49 0.47 Allowed 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 125.063 1.345 . . . . 0.0 112.34 169.461 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 pp 27.99 59.43 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 128.02 2.528 . . . . 0.0 114.882 169.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 C-N-CA 125.259 1.409 . . . . 0.0 111.015 -178.52 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 . . . . . 0 N--CA 1.458 -0.062 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -62.28 -7.68 4.65 Favored 'General case' 0 CA--C 1.539 0.519 0 O-C-N 121.15 -0.969 . . . . 0.0 111.073 168.262 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 18.9 mt -41.45 -11.06 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 128.172 2.589 . . . . 0.0 114.798 168.005 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -49.43 -21.0 0.8 Allowed 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.198 -0.939 . . . . 0.0 111.144 163.066 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -39.97 -37.97 0.65 Allowed 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.665 1.186 . . . . 0.0 111.642 166.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -48.2 -30.2 4.45 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -177.179 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.58 43.91 2.11 Favored 'General case' 0 CA--C 1.53 0.173 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 169.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 19.3 t70 19.36 56.4 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 128.196 2.598 . . . . 0.0 113.614 -169.726 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . 0.282 10.2 pt20 49.5 10.61 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 117.395 2.368 . . . . 0.0 117.395 -179.367 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -83.38 62.76 6.91 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 106.063 -1.828 . . . . 0.0 106.063 169.517 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -74.13 135.21 27.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 116.183 1.92 . . . . 0.0 116.183 -163.308 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -99.88 155.15 17.83 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 125.548 1.539 . . . . 0.0 107.049 165.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -52.76 -43.61 65.91 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 118.31 0.505 . . . . 0.0 110.769 -178.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -40.88 -56.54 2.2 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.434 1.094 . . . . 0.0 110.902 171.276 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -76.59 -45.78 28.91 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 125.38 1.472 . . . . 0.0 110.2 -168.551 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -47.21 -49.13 23.56 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.875 1.67 . . . . 0.0 108.755 170.215 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 21.1 mm -67.96 -45.4 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 CA-C-O 118.286 -0.864 . . . . 0.0 111.519 175.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 48.9 m -47.65 -51.33 21.92 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 119.97 1.259 . . . . 0.0 108.734 177.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -59.45 -58.98 6.22 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 126.251 1.821 . . . . 0.0 111.521 178.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 14.7 mt -49.99 -46.82 52.97 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.455 0.571 . . . . 0.0 111.505 177.158 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -62.84 -46.39 93.71 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 125.742 1.639 . . . . 0.0 112.279 178.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.96 -54.53 45.58 Favored 'General case' 0 C--N 1.338 0.104 0 CA-C-N 117.989 0.895 . . . . 0.0 108.873 176.23 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.15 -30.44 71.59 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.384 -178.59 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.86 -41.72 71.14 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-N 119.498 1.044 . . . . 0.0 112.102 175.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 59.8 mtm -61.83 -16.62 51.61 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 118.753 -0.641 . . . . 0.0 112.213 176.005 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 25.1 mt -91.27 -71.79 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 124.947 1.299 . . . . 0.0 109.14 169.081 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -63.45 -39.11 93.61 Favored 'General case' 0 N--CA 1.464 0.252 0 O-C-N 120.513 -1.367 . . . . 0.0 112.264 -170.021 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -93.68 24.5 4.05 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.991 1.316 . . . . 0.0 111.934 173.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.517 0 N-CA-C 116.746 2.128 . . . . 0.0 116.746 -169.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.8 mt . . . . . 0 C--O 1.236 0.384 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -44.86 -43.87 8.47 Favored Glycine 0 C--N 1.337 0.624 0 C-N-CA 126.568 2.032 . . . . 0.0 111.89 -179.291 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.9 tp -82.1 -65.66 0.98 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 117.988 0.894 . . . . 0.0 110.941 173.095 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 68.4 mt -63.66 -51.7 63.95 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 -165.389 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.3 mt -77.05 -30.95 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 CA-C-N 119.751 1.16 . . . . 0.0 109.596 174.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.63 -81.96 0.06 OUTLIER Glycine 0 CA--C 1.528 0.88 0 CA-C-O 118.585 -1.12 . . . . 0.0 111.636 173.465 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.2 mp -38.69 -57.6 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 126.38 1.872 . . . . 0.0 110.565 -177.514 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -31.14 -58.17 0.23 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.983 1.713 . . . . 0.0 113.438 170.178 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -95.55 -4.82 44.02 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 116.952 2.204 . . . . 0.0 116.952 173.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 tmmm? -67.57 -53.77 25.5 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 106.221 -1.77 . . . . 0.0 106.221 172.137 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.407 ' O ' ' HB2' ' A' ' 20' ' ' SER . 47.5 m-85 -68.82 149.73 48.62 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 105.223 -2.14 . . . . 0.0 105.223 166.281 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.407 ' HB2' ' O ' ' A' ' 19' ' ' TYR . 60.6 m . . . . . 0 CA--C 1.528 0.101 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 -165.509 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 20.4 p80 -137.81 -175.31 4.04 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 124.017 0.927 . . . . 0.0 109.222 175.539 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.9 p -66.96 151.88 46.8 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 127.268 2.227 . . . . 0.0 108.599 175.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 72.1 mt -70.37 106.46 3.39 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.044 0.938 . . . . 0.0 109.996 -170.169 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.9 p -76.67 63.48 2.13 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.896 0.878 . . . . 0.0 112.578 -178.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.309 0.0 OUTLIER 61.12 -66.97 0.06 Allowed 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 128.286 2.634 . . . . 0.0 115.808 173.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.9 pttp -51.59 -42.98 62.31 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.634 0.774 . . . . 0.0 110.132 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -40.94 -56.78 2.16 Favored 'General case' 0 C--O 1.222 -0.387 0 C-N-CA 123.752 0.821 . . . . 0.0 111.368 170.019 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.424 HD11 ' CZ ' ' A' ' 76' ' ' PHE . 1.3 tm? -61.11 -46.6 89.94 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 -170.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -62.98 -36.89 85.03 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 121.018 0.437 . . . . 0.0 110.614 179.126 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -68.24 -34.7 76.69 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.255 1.022 . . . . 0.0 111.38 176.066 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 tt -73.87 -61.08 1.97 Allowed 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 127.259 2.224 . . . . 0.0 110.453 -174.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.4 tt -46.29 -34.74 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 C-N-CA 125.579 1.551 . . . . 0.0 113.116 -169.436 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -58.46 -56.13 26.12 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 122.904 0.482 . . . . 0.0 111.804 176.657 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . 0.315 12.6 pttm -97.63 -83.14 0.4 Allowed 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 118.537 2.792 . . . . 0.0 118.537 -168.586 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . 0.252 22.1 mt-10 -57.8 -39.2 76.98 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 116.46 2.022 . . . . 0.0 116.46 -163.486 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . 0.261 0.4 OUTLIER -75.22 24.27 0.1 Allowed 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 115.376 1.621 . . . . 0.0 115.376 -175.598 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.9 m 81.68 -82.88 0.02 OUTLIER 'General case' 0 C--O 1.227 -0.109 0 C-N-CA 125.377 1.471 . . . . 0.0 110.337 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.289 11.3 tp . . . . . 0 N--CA 1.472 0.655 0 C-N-CA 130.703 3.601 . . . . 0.0 116.295 -178.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.9 mp . . . . . 0 CA--C 1.54 0.56 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 73.2 mtp -91.09 -49.49 6.37 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 168.395 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.514 ' C ' ' H ' ' A' ' 60' ' ' LEU . 87.5 m-20 -73.18 -6.61 46.93 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 114.922 1.452 . . . . 0.0 114.922 -172.248 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . 0.254 4.3 p-10 -70.2 32.52 0.04 OUTLIER 'General case' 0 CA--C 1.557 1.228 0 CA-C-N 119.925 1.239 . . . . 0.0 109.861 163.501 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.514 ' H ' ' C ' ' A' ' 58' ' ' ASP . 4.0 pp -57.11 -6.72 0.41 Allowed 'General case' 0 C--N 1.347 0.474 0 C-N-CA 130.739 3.616 . . . . 0.0 113.794 -170.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -47.48 -27.86 1.93 Allowed 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 163.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.6 ttm-85 -30.35 -44.85 0.06 Allowed 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 126.485 1.914 . . . . 0.0 112.555 167.197 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -43.75 -48.5 8.04 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 126.134 1.773 . . . . 0.0 113.898 -177.666 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -125.43 83.43 2.16 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 117.928 -1.034 . . . . 0.0 109.23 -175.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.1 p30 57.66 -15.57 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 117.665 2.468 . . . . 0.0 117.665 168.259 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . 0.25 25.3 mt-30 77.7 -9.2 1.55 Allowed 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 127.47 2.308 . . . . 0.0 113.228 178.806 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.13 82.63 5.28 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 104.347 -2.464 . . . . 0.0 104.347 166.703 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.7 m -94.92 138.71 20.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-O 121.366 0.603 . . . . 0.0 111.972 -171.24 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -98.85 -175.91 3.19 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 124.043 0.937 . . . . 0.0 108.841 176.621 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -52.36 -38.13 58.01 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 119.03 -0.51 . . . . 0.0 110.486 -179.156 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -55.2 -65.55 0.57 Allowed 'General case' 0 C--O 1.234 0.256 0 CA-C-N 118.764 0.711 . . . . 0.0 111.647 178.271 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -66.28 -39.98 89.78 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 118.233 -1.387 . . . . 0.0 109.0 -171.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -46.25 -60.94 2.01 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.083 0.953 . . . . 0.0 111.465 172.559 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 8.2 tp -71.51 -35.18 55.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 O-C-N 121.666 -0.647 . . . . 0.0 110.466 -172.499 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 31.0 m -60.78 -45.14 95.51 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 176.539 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.424 ' CZ ' HD11 ' A' ' 34' ' ' LEU . 3.1 t80 -59.46 -55.26 36.88 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 125.138 1.375 . . . . 0.0 110.579 174.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 33.0 mt -49.88 -55.57 13.86 Favored 'General case' 0 C--O 1.225 -0.205 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 177.624 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.09 -53.36 43.1 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.762 -0.535 . . . . 0.0 111.762 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.03 -56.24 24.56 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -175.268 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 86.9 mt -63.86 -43.97 94.51 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 119.54 -0.267 . . . . 0.0 110.51 -177.48 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.53 -43.15 75.48 Favored 'General case' 0 CA--C 1.523 -0.096 0 CA-C-N 118.378 0.535 . . . . 0.0 110.957 178.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 3.3 ttt -55.73 -27.61 51.5 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 177.474 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.2 mp -83.86 -72.52 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 168.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -56.89 -44.15 82.03 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 114.849 1.425 . . . . 0.0 114.849 -167.18 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . 0.27 40.6 m-20 -77.23 31.79 0.15 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.028 1.331 . . . . 0.0 112.565 177.43 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 . . . . . 0 C--N 1.344 0.367 0 C-N-CA 130.254 3.422 . . . . 0.0 115.978 -170.458 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.57 0 N-CA-C 111.52 0.193 . . . . 0.0 111.52 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 26.2 mt -66.77 -43.78 89.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 169.283 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -38.72 -45.63 2.06 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 125.414 1.483 . . . . 0.0 112.868 172.049 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 33.6 tp -52.98 -37.25 61.17 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.954 1.377 . . . . 0.0 112.354 178.121 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.1 mp -64.84 -30.96 71.98 Favored 'General case' 0 CA--C 1.532 0.275 0 O-C-N 121.268 -0.895 . . . . 0.0 110.735 176.329 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 16.0 mt -67.08 -48.05 80.17 Favored 'Isoleucine or valine' 0 C--N 1.341 0.207 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 168.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -45.5 -50.02 10.89 Favored Glycine 0 CA--C 1.525 0.698 0 C-N-CA 124.659 1.123 . . . . 0.0 111.21 176.328 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 39.0 mm -68.16 -60.48 2.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 123.55 0.74 . . . . 0.0 110.175 176.436 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -39.13 -64.54 0.45 Allowed 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 125.261 1.424 . . . . 0.0 110.81 178.021 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . 0.34 1.6 m-70 -90.6 21.66 3.89 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 116.248 1.944 . . . . 0.0 116.248 178.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -59.13 -46.03 89.4 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 105.484 -2.043 . . . . 0.0 105.484 165.037 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -79.9 124.92 29.09 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 126.874 2.07 . . . . 0.0 108.837 169.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.5 p -47.92 -49.45 30.04 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 168.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.067 0 C-N-CA 124.494 1.045 . . . . 0.0 113.472 -175.531 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 19.6 mttp . . . . . 0 CA--C 1.534 0.338 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -144.25 -68.21 0.32 Allowed 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 118.949 0.795 . . . . 0.0 111.203 -178.097 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.24 -177.46 6.65 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 127.884 2.474 . . . . 0.0 109.51 -177.23 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 10.0 tp -127.18 153.42 46.09 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.673 1.189 . . . . 0.0 109.244 -172.447 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 99.0 p -83.97 147.87 27.21 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.228 0.611 . . . . 0.0 109.448 177.471 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.78 -45.66 93.52 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 107.035 -1.469 . . . . 0.0 107.035 169.662 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.07 -54.16 39.57 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 117.93 -1.034 . . . . 0.0 111.307 -174.016 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -75.31 -28.92 59.87 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 119.606 1.094 . . . . 0.0 110.965 -177.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.428 HD23 ' O ' ' B' ' 34' ' ' LEU . 4.5 tt -58.59 -38.3 77.64 Favored 'General case' 0 C--N 1.341 0.236 0 C-N-CA 119.918 -0.713 . . . . 0.0 109.264 171.395 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.58 -49.35 62.28 Favored 'General case' 0 C--N 1.345 0.386 0 CA-C-N 119.485 1.038 . . . . 0.0 111.207 -176.435 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 25.8 mp0 -54.15 -51.94 62.7 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 119.783 1.174 . . . . 0.0 111.96 173.145 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 tt -47.38 -58.65 3.92 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.178 1.391 . . . . 0.0 110.311 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -68.4 -48.49 72.58 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.242 0 O-C-N 122.039 -0.413 . . . . 0.0 110.729 -179.287 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -46.2 -58.21 3.86 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.45 1.1 . . . . 0.0 111.181 -177.529 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 6.4 tptp -97.34 -42.62 7.68 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 -172.481 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -91.92 -71.22 0.65 Allowed 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 -164.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . 0.275 1.0 OUTLIER -79.42 3.17 19.26 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 -167.184 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.2 p -76.46 -107.48 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.901 1.228 . . . . 0.0 111.018 174.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 15.1 mt -94.51 -32.53 4.66 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 C-N-CA 123.868 0.867 . . . . 0.0 108.758 -177.538 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.732 0 N-CA-C 108.998 -1.641 . . . . 0.0 108.998 -179.113 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 . . . . . 0 CA--C 1.528 0.131 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -49.65 -15.67 0.18 Allowed 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 119.027 0.831 . . . . 0.0 112.977 169.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 7.6 tt -43.04 -22.62 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 128.679 2.792 . . . . 0.0 112.48 165.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -45.77 -28.52 1.07 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 119.796 1.18 . . . . 0.0 111.418 167.281 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.57 13.21 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 115.184 1.55 . . . . 0.0 115.184 171.088 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -28.46 -57.45 0.12 Allowed 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 128.302 2.641 . . . . 0.0 114.415 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 18.6 pttm -120.17 20.95 11.95 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.63 1.172 . . . . 0.0 110.326 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 7.5 t0 25.68 41.52 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 130.579 3.552 . . . . 0.0 113.268 -167.422 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -149.44 145.27 26.84 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 -179.321 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 28.59 81.67 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 127.049 2.14 . . . . 0.0 114.295 169.361 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 16.4 t -70.22 119.66 16.69 Favored 'Isoleucine or valine' 0 C--O 1.231 0.117 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 -178.256 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -92.24 169.57 10.5 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.305 0.574 . . . . 0.0 110.503 178.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -54.19 -43.84 71.05 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.809 0.844 . . . . 0.0 110.95 -178.309 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -59.1 -44.96 91.98 Favored 'General case' 0 N--CA 1.456 -0.158 0 O-C-N 121.953 -0.467 . . . . 0.0 110.511 179.067 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -61.39 -60.29 3.94 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 176.377 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -39.32 -52.97 2.0 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 125.39 1.476 . . . . 0.0 112.348 176.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 5.2 tp -75.12 -16.1 15.93 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -170.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 98.6 m -55.47 -56.19 23.02 Favored 'General case' 0 C--N 1.341 0.238 0 CA-C-N 118.82 0.736 . . . . 0.0 111.78 -170.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.83 -43.95 94.69 Favored 'General case' 0 CA--C 1.521 -0.146 0 O-C-N 122.046 -0.409 . . . . 0.0 110.118 -177.363 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -43.24 -55.96 3.72 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.16 0.584 . . . . 0.0 110.005 170.423 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.99 -53.72 38.34 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 124.18 0.895 . . . . 0.0 112.659 176.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.57 -49.03 77.71 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 118.006 0.903 . . . . 0.0 111.557 -177.679 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 52.2 mt -73.44 -26.67 61.04 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.335 1.054 . . . . 0.0 111.593 -176.208 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -31.1 -66.93 0.1 Allowed 'General case' 0 C--O 1.222 -0.38 0 C-N-CA 127.152 2.181 . . . . 0.0 113.664 -172.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 51.9 mtp -72.28 -13.62 61.55 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -170.142 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 83' ' ' ILE . . . . . 0.403 HD12 ' N ' ' B' ' 83' ' ' ILE . 3.5 mp -82.09 -65.61 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 106.829 -1.545 . . . . 0.0 106.829 172.264 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . 0.356 0.0 OUTLIER -79.41 32.95 0.24 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.363 1.465 . . . . 0.0 113.08 -177.242 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -41.59 -36.04 0.85 Allowed 'General case' 0 C--O 1.232 0.136 0 N-CA-C 116.884 2.179 . . . . 0.0 116.884 -167.05 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 119.444 1.02 . . . . 0.0 108.604 173.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.2 mt . . . . . 0 CA--C 1.534 0.348 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.59 -47.54 29.59 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 125.689 1.614 . . . . 0.0 112.211 173.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.11 -52.36 65.69 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 118.907 1.354 . . . . 0.0 110.403 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -57.64 -44.66 85.78 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 122.451 0.3 . . . . 0.0 111.135 -179.044 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 36.6 mt -63.17 -44.17 99.22 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 123.941 0.896 . . . . 0.0 110.236 175.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.16 -63.91 4.89 Favored Glycine 0 CA--C 1.525 0.71 0 C-N-CA 125.061 1.315 . . . . 0.0 110.684 -179.239 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.1 tp -61.08 -36.65 73.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 C-N-CA 123.309 0.643 . . . . 0.0 110.863 -169.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -30.69 -66.46 0.1 Allowed 'General case' 0 C--N 1.344 0.347 0 C-N-CA 126.338 1.855 . . . . 0.0 112.504 177.536 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -90.52 -6.22 55.03 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 -179.251 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.18 -43.23 78.6 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 106.66 -1.608 . . . . 0.0 106.66 169.091 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 -75.85 67.52 2.26 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.632 0.773 . . . . 0.0 109.924 174.011 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 75.2 m . . . . . 0 CA--C 1.532 0.274 0 C-N-CA 124.1 0.96 . . . . 0.0 109.494 169.109 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.534 0.333 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -52.05 160.75 0.69 Allowed 'General case' 0 N--CA 1.44 -0.97 0 C-N-CA 125.808 1.643 . . . . 0.0 109.302 174.329 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 73.7 p 63.58 151.69 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 127.132 2.173 . . . . 0.0 109.105 -168.278 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.3 mp -109.62 58.95 0.6 Allowed 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 -166.007 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.3 p -65.34 71.9 0.05 OUTLIER 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 115.348 1.61 . . . . 0.0 115.348 -177.037 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.251 12.9 tptt 66.38 -55.12 0.4 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 128.863 2.865 . . . . 0.0 115.769 173.763 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.58 -10.78 58.03 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.828 1.195 . . . . 0.0 112.29 179.54 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.0 mp0 -90.64 -51.5 5.36 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 128.065 2.546 . . . . 0.0 107.375 167.078 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tp -50.68 -34.45 26.64 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 118.545 -0.74 . . . . 0.0 111.854 -178.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.2 pptp? -38.92 -40.99 0.7 Allowed 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.235 1.014 . . . . 0.0 113.297 171.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -64.26 -34.33 77.86 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.404 1.082 . . . . 0.0 111.372 -177.39 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 tt -91.01 -53.93 4.17 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 127.52 2.328 . . . . 0.0 111.231 -175.347 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.1 tt -61.49 -44.64 98.92 Favored 'Isoleucine or valine' 0 CA--C 1.524 -0.039 0 C-N-CA 124.842 1.257 . . . . 0.0 112.294 -169.497 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -65.71 -47.81 74.12 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -92.48 -94.21 0.15 Allowed 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.087 0.955 . . . . 0.0 113.268 -170.029 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.2 mp0 -58.03 -32.19 67.74 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 -165.444 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.6 mt -53.63 -32.72 52.45 Favored 'General case' 0 C--O 1.224 -0.265 0 C-N-CA 118.589 -1.244 . . . . 0.0 111.856 175.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.0 m 63.25 41.87 7.5 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 119.977 1.262 . . . . 0.0 109.835 -179.01 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 32.4 pt . . . . . 0 CA--C 1.532 0.267 0 C-N-CA 123.47 0.708 . . . . 0.0 112.167 -175.597 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.4 tp . . . . . 0 CA--C 1.534 0.346 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.7 mmt -91.52 -43.46 9.66 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.447 1.099 . . . . 0.0 111.807 176.434 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.491 ' C ' ' H ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -71.05 -9.11 57.47 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 127.64 2.376 . . . . 0.0 113.446 -174.403 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -68.51 28.98 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.372 1.069 . . . . 0.0 108.578 160.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.491 ' H ' ' C ' ' A' ' 58' ' ' ASP . 48.5 tp -37.4 -30.04 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.577 1 C-N-CA 131.705 4.002 . . . . 0.0 114.651 -167.299 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -37.67 -34.93 0.12 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.98 0.912 . . . . 0.0 110.887 165.442 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -40.85 -35.25 0.48 Allowed 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 127.557 2.343 . . . . 0.0 112.926 176.539 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -62.82 -34.29 77.0 Favored 'General case' 0 C--N 1.339 0.151 0 C-N-CA 122.848 0.459 . . . . 0.0 111.298 -176.024 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.4 mmtm 67.53 -54.91 0.48 Allowed 'General case' 0 C--N 1.34 0.195 0 C-N-CA 126.74 2.016 . . . . 0.0 114.225 176.699 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 53.66 61.71 2.97 Favored 'General case' 0 CA--C 1.528 0.103 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 -169.31 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . 0.424 1.5 pp0? 66.23 -44.19 0.4 Allowed 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 129.243 3.017 . . . . 0.0 115.027 -169.781 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.64 134.35 4.5 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 106.518 -1.66 . . . . 0.0 106.518 177.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.37 98.23 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 CA-C-O 122.419 1.104 . . . . 0.0 108.241 -171.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -75.97 172.58 12.49 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 113.982 -1.463 . . . . 0.0 109.06 170.5 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -48.79 -39.16 24.2 Favored 'General case' 0 C--O 1.22 -0.476 0 C-N-CA 123.32 0.648 . . . . 0.0 109.997 173.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -42.61 -74.52 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.831 1.253 . . . . 0.0 111.307 169.603 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -59.02 -44.14 91.66 Favored 'General case' 0 N--CA 1.455 -0.18 0 O-C-N 121.563 -0.71 . . . . 0.0 110.761 -175.135 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -46.47 -53.88 10.31 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.238 1.415 . . . . 0.0 111.067 174.417 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 7.6 tp -76.86 -39.44 30.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 O-C-N 121.684 -0.635 . . . . 0.0 110.905 -174.323 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 57.1 m -51.79 -53.72 36.82 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 119.409 1.004 . . . . 0.0 109.827 171.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -52.9 -54.96 27.09 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 125.237 1.415 . . . . 0.0 111.302 175.463 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.3 mt -52.66 -40.43 62.83 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 117.839 0.29 . . . . 0.0 111.091 174.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -62.09 -53.97 38.5 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.431 -1.068 . . . . 0.0 110.431 178.168 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.13 -48.43 67.9 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 124.049 0.939 . . . . 0.0 110.121 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 42.0 mt -58.79 -60.0 4.53 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 175.174 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -48.43 -49.35 35.56 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 125.984 1.714 . . . . 0.0 111.426 -172.345 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 17.0 ttt -44.89 -39.9 5.81 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 126.501 1.921 . . . . 0.0 111.702 176.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 48.0 mm -91.44 -61.13 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 C-N-CA 123.913 0.885 . . . . 0.0 110.902 -177.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -90.2 -29.33 18.3 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 116.366 1.987 . . . . 0.0 116.366 -166.645 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -91.55 -53.44 4.31 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-N 118.743 0.701 . . . . 0.0 110.404 -168.744 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 . . . . . 0 N--CA 1.436 -1.149 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 -166.562 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.278 0 CA-C-O 120.609 0.242 . . . . 0.0 111.357 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 58.3 mt -63.64 -40.92 90.82 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 174.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -42.89 -42.74 5.09 Favored Glycine 0 CA--C 1.523 0.572 0 C-N-CA 126.467 1.984 . . . . 0.0 113.079 171.705 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 61.4 tp -58.42 -55.3 36.84 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 119.151 1.476 . . . . 0.0 110.075 177.438 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 mp -58.86 -46.6 87.37 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 122.982 0.513 . . . . 0.0 109.635 -179.4 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 67.6 mt -59.2 -39.99 80.02 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 C-N-CA 122.537 0.335 . . . . 0.0 110.703 176.62 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.71 -66.33 2.89 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 109.226 -1.549 . . . . 0.0 109.226 174.566 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 25.4 mm -49.75 -44.57 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 125.358 1.463 . . . . 0.0 110.636 -178.084 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -36.58 -73.06 0.05 OUTLIER 'General case' 0 C--N 1.341 0.208 0 C-N-CA 124.85 1.26 . . . . 0.0 112.138 -177.093 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -90.37 20.71 4.29 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.65 -1.159 . . . . 0.0 112.441 -178.77 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -58.55 -46.9 85.89 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 168.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -78.35 59.41 2.33 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.16 0.984 . . . . 0.0 110.641 173.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 28.2 m -67.6 -15.44 63.65 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.64 -0.662 . . . . 0.0 112.264 172.684 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.622 0 N-CA-C 108.999 -1.641 . . . . 0.0 108.999 173.951 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? . . . . . 0 N--CA 1.45 -0.434 0 N-CA-C 105.724 -1.954 . . . . 0.0 105.724 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -133.33 35.63 3.44 Favored 'General case' 0 C--N 1.332 -0.168 0 O-C-N 121.59 -0.694 . . . . 0.0 109.62 171.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 72.7 p -136.39 141.71 43.67 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 103.453 -2.795 . . . . 0.0 103.453 167.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 28.0 mt -101.05 86.53 3.06 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.073 0.949 . . . . 0.0 110.719 -167.538 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.4 m -79.46 64.59 4.39 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.761 0.824 . . . . 0.0 111.951 -168.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 50.6 tttp 65.76 -53.12 0.38 Allowed 'General case' 0 C--O 1.223 -0.34 0 C-N-CA 127.158 2.183 . . . . 0.0 114.289 178.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -55.95 -62.02 1.98 Allowed 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 120.106 1.321 . . . . 0.0 109.985 -179.129 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -38.62 -51.45 1.64 Allowed 'General case' 0 C--O 1.226 -0.16 0 C-N-CA 125.191 1.397 . . . . 0.0 110.455 169.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' B' ' 34' ' ' LEU . 5.8 tp -62.34 -44.46 96.43 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 125.252 1.421 . . . . 0.0 111.343 -173.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 39.3 tptt -65.66 -41.48 92.48 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 178.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.91 -38.45 91.13 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 120.764 0.316 . . . . 0.0 110.827 176.459 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.2 tt -61.34 -70.11 0.2 Allowed 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 126.277 1.831 . . . . 0.0 111.1 178.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' ILE . . . . . 0.511 ' HA ' ' HB3' ' B' ' 41' ' ' GLU . 11.3 tt -58.48 6.45 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.558 1.261 0 C-N-CA 127.567 2.347 . . . . 0.0 114.746 -168.226 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -93.73 -66.47 0.92 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.284 1.834 . . . . 0.0 112.312 172.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.48 32.94 1.02 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.687 1.995 . . . . 0.0 109.874 176.242 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.511 ' HB3' ' HA ' ' B' ' 38' ' ' ILE 0.302 0.0 OUTLIER -73.72 -115.09 0.01 OUTLIER 'General case' 0 N--CA 1.437 -1.116 0 N-CA-C 121.661 3.948 . . . . 0.0 121.661 -160.766 . . . . . . . . 4 4 . 1 . 014 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.415 ' H ' ' CG ' ' B' ' 41' ' ' GLU . 11.3 mt -103.03 -61.44 1.41 Allowed 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 129.589 3.155 . . . . 0.0 111.71 -167.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 152.7 4.22 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.825 1 C-N-CA 132.196 4.198 . . . . 0.0 111.67 -171.47 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 65.8 mt -50.27 -36.26 12.91 Favored 'Isoleucine or valine' 0 C--N 1.342 0.262 0 CA-C-N 120.356 1.435 . . . . 0.0 110.968 178.331 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.51 0 C-N-CA 125.272 1.415 . . . . 0.0 114.588 169.925 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 N--CA 1.466 0.364 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . 0.254 3.4 p30 -45.42 -77.09 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.951 0.901 . . . . 0.0 112.457 -168.139 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.414 HD13 ' C ' ' B' ' 60' ' ' LEU . 3.2 tm? -93.09 -58.12 2.42 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 124.925 1.29 . . . . 0.0 110.264 -174.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.02 -30.92 2.91 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 126.457 1.903 . . . . 0.0 113.871 -164.797 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 62' ' ' ARG . . . . . 0.402 ' HG2' ' O ' ' B' ' 62' ' ' ARG 0.287 0.0 OUTLIER -75.05 16.71 0.28 Allowed 'General case' 0 CA--C 1.558 1.269 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 173.441 . . . . . . . . 4 4 . 1 . 014 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -53.58 -58.91 5.47 Favored 'General case' 0 C--O 1.225 -0.203 0 C-N-CA 128.425 2.69 . . . . 0.0 114.718 -171.172 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . 0.28 12.2 pttt 70.41 -56.89 0.59 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.248 1.419 . . . . 0.0 113.834 -171.65 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . 0.301 2.7 p30 -90.54 -97.02 0.11 Allowed 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 -171.466 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.54 -157.68 0.84 Allowed 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 120.241 1.382 . . . . 0.0 110.654 -169.679 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.6 144.16 27.51 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 118.995 0.816 . . . . 0.0 110.617 -173.643 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 15.7 t -75.94 75.74 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-O 123.126 1.441 . . . . 0.0 111.078 -167.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -83.9 -177.35 6.65 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 126.744 2.018 . . . . 0.0 109.244 169.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -52.98 -43.94 66.81 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.093 0.557 . . . . 0.0 112.447 -172.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.6 -31.72 73.06 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 118.751 0.705 . . . . 0.0 111.315 -177.56 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.88 -46.33 21.66 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 -176.471 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -49.35 -53.1 24.01 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 168.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 11.6 mm -54.54 -44.88 70.35 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-O 118.624 -0.703 . . . . 0.0 111.111 176.625 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 62.0 m -45.72 -51.36 12.63 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 119.215 0.916 . . . . 0.0 112.444 -178.262 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . 0.256 6.2 p90 -64.8 -39.68 93.99 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 117.332 -1.747 . . . . 0.0 112.425 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 6.3 mp -55.12 -56.31 21.33 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 118.991 0.814 . . . . 0.0 109.641 172.286 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -49.16 -56.21 10.84 Favored Glycine 0 CA--C 1.526 0.751 0 C-N-CA 124.132 0.872 . . . . 0.0 112.059 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.34 -53.66 53.79 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 122.907 0.483 . . . . 0.0 111.394 -178.015 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 79.4 mt -76.09 -35.35 59.39 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.923 -0.485 . . . . 0.0 111.581 -169.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.91 -42.63 68.95 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 118.681 0.673 . . . . 0.0 111.442 -178.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 64.9 mtp -51.94 -29.92 22.41 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.56 1.144 . . . . 0.0 111.876 175.225 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 43.8 mt -91.0 -57.04 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 C-N-CA 123.585 0.754 . . . . 0.0 109.516 178.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -81.38 -39.85 24.39 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 115.024 1.49 . . . . 0.0 115.024 -167.135 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -86.38 -39.1 16.75 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -167.813 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.327 -0.37 0 N-CA-C 104.535 -2.394 . . . . 0.0 104.535 -170.164 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.7 mp . . . . . 0 CA--C 1.533 0.314 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.02 -51.28 30.51 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 172.366 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.3 mp -56.08 -56.87 15.56 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-O 118.962 -0.542 . . . . 0.0 109.561 175.003 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.4 mt -52.7 -47.25 67.39 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 119.366 0.984 . . . . 0.0 112.161 -176.363 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.9 mt -60.95 -51.22 75.72 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 123.732 0.813 . . . . 0.0 109.996 176.592 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.31 -41.31 96.81 Favored Glycine 0 CA--C 1.53 1.029 0 C-N-CA 123.288 0.47 . . . . 0.0 112.088 -178.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.5 mm -78.87 -42.81 24.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 C-N-CA 126.843 2.057 . . . . 0.0 110.615 -171.368 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -29.15 -69.12 0.06 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.223 1.809 . . . . 0.0 113.664 -173.675 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -90.67 -2.09 57.85 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 125.574 1.549 . . . . 0.0 112.655 -174.819 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.09 -36.09 74.53 Favored 'General case' 0 N--CA 1.456 -0.142 0 O-C-N 121.516 -0.74 . . . . 0.0 111.267 -172.697 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -66.44 -15.96 63.74 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.0 m . . . . . 0 CA--C 1.533 0.319 0 CA-C-N 118.747 0.703 . . . . 0.0 111.53 169.524 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm . . . . . 0 CA--C 1.531 0.217 0 CA-C-O 121.706 0.765 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.0 p80 -79.93 57.48 2.62 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.605 1.162 . . . . 0.0 108.817 174.566 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -177.84 147.17 0.46 Allowed 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 128.285 2.634 . . . . 0.0 104.037 -169.252 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.65 142.67 34.93 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 119.415 1.007 . . . . 0.0 110.375 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.2 t -92.9 -168.57 1.97 Allowed 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 122.745 1.259 . . . . 0.0 111.131 -177.111 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -51.32 68.18 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 127.128 2.171 . . . . 0.0 112.96 -171.295 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -64.78 -41.47 95.83 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.93 -0.481 . . . . 0.0 110.208 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -56.21 -51.9 66.38 Favored 'General case' 0 C--O 1.223 -0.337 0 C-N-CA 122.85 0.46 . . . . 0.0 109.918 170.532 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.6 tt -57.05 -45.49 83.15 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 118.75 0.705 . . . . 0.0 110.254 -177.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -35.61 60.36 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.65 0.78 . . . . 0.0 111.286 172.717 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -76.27 -36.17 58.55 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.089 0.556 . . . . 0.0 111.277 176.214 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.7 tt -59.61 -75.81 0.05 Allowed 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 125.957 1.703 . . . . 0.0 109.094 -179.498 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.1 pt -52.34 -2.73 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 C-N-CA 127.523 2.329 . . . . 0.0 117.225 -167.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -94.43 -57.79 2.39 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.888 1.675 . . . . 0.0 110.159 168.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.9 mptt -81.44 32.4 0.35 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 127.503 2.321 . . . . 0.0 108.167 169.328 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.449 ' CG ' ' H ' ' A' ' 42' ' ' LEU . 0.4 OUTLIER -45.11 -114.21 0.0 OUTLIER 'General case' 0 N--CA 1.435 -1.18 0 N-CA-C 120.885 3.661 . . . . 0.0 120.885 -159.505 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.449 ' H ' ' CG ' ' A' ' 41' ' ' GLU . 29.5 mt -106.0 -67.74 0.91 Allowed 'General case' 0 N--CA 1.437 -1.095 0 C-N-CA 127.307 2.243 . . . . 0.0 112.555 -165.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.9 m -167.91 -24.38 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.551 1.94 . . . . 0.0 112.098 -169.11 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 34.4 mt . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 -170.323 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 63.9 tp . . . . . 0 CA--C 1.533 0.321 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 51.1 mtt -65.2 -41.25 94.71 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -174.76 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -43.12 -53.24 5.06 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.696 0.799 . . . . 0.0 112.2 -176.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -39.3 -47.98 1.78 Allowed 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 126.946 2.098 . . . . 0.0 113.443 175.404 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 74.5 mt -53.46 -30.51 41.2 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 126.172 1.789 . . . . 0.0 115.201 -165.707 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -63.15 -11.58 21.49 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 118.384 0.538 . . . . 0.0 111.697 176.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.506 ' HG3' HH11 ' A' ' 62' ' ' ARG . 0.0 OUTLIER -58.6 21.87 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 117.115 2.265 . . . . 0.0 117.115 175.733 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -51.52 -37.26 48.49 Favored 'General case' 0 CA--C 1.522 -0.126 0 CA-C-N 120.26 1.391 . . . . 0.0 111.312 172.642 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.433 ' HD3' ' H ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -74.65 57.93 0.77 Allowed 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 123.798 0.839 . . . . 0.0 109.092 169.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -56.25 -32.49 64.55 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 123.899 0.88 . . . . 0.0 109.583 171.484 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.6 tp60 -68.77 70.09 0.18 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.979 1.312 . . . . 0.0 111.483 -178.22 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 65.2 91.4 0.08 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 126.361 1.865 . . . . 0.0 112.574 167.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 77.6 t -73.46 132.57 33.21 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 C-N-CA 125.035 1.334 . . . . 0.0 110.409 -173.315 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -101.16 175.08 5.71 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.3 1.44 . . . . 0.0 109.495 169.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -59.07 -45.32 91.12 Favored 'General case' 0 C--O 1.221 -0.413 0 C-N-CA 122.751 0.421 . . . . 0.0 112.119 -173.246 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -65.47 -50.18 66.29 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -177.357 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.64 -47.11 67.28 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.142 177.165 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -54.62 -55.61 27.65 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.361 1.064 . . . . 0.0 111.522 171.356 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 7.2 mm -54.73 -42.56 62.24 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.348 0 C-N-CA 124.62 1.168 . . . . 0.0 110.681 -176.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.5 m -33.24 -57.2 0.41 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.898 1.679 . . . . 0.0 113.196 -172.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -63.9 -43.0 97.31 Favored 'General case' 0 C--N 1.341 0.203 0 O-C-N 121.699 -0.626 . . . . 0.0 112.052 -178.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.504 ' H ' HD12 ' A' ' 77' ' ' LEU . 6.0 mp -57.13 -40.99 78.24 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 122.561 0.345 . . . . 0.0 110.224 172.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.32 -46.83 63.29 Favored Glycine 0 CA--C 1.526 0.751 0 C-N-CA 124.429 1.014 . . . . 0.0 111.314 175.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.06 -60.99 2.69 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 117.357 0.579 . . . . 0.0 110.269 172.219 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 76.6 mt -51.15 -35.1 34.1 Favored 'General case' 0 CA--C 1.528 0.101 0 C-N-CA 123.921 0.888 . . . . 0.0 112.112 -173.511 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -41.36 -45.15 2.98 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 126.359 1.864 . . . . 0.0 111.947 177.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 66.9 mtp -55.9 -31.99 63.34 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.291 1.437 . . . . 0.0 111.522 -178.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 32.2 mm -93.73 -64.35 1.29 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 125.623 1.569 . . . . 0.0 111.733 175.416 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . 0.254 0.1 OUTLIER -81.44 -37.4 28.1 Favored 'General case' 0 C--N 1.343 0.295 0 N-CA-C 115.034 1.494 . . . . 0.0 115.034 -166.738 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -82.72 -52.33 6.87 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 121.744 0.783 . . . . 0.0 110.053 -170.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.439 -1.024 0 CA-C-N 113.836 -1.529 . . . . 0.0 107.752 -168.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.284 0 CA-C-O 120.636 0.255 . . . . 0.0 111.365 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 53.3 mt -59.57 -49.11 84.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 178.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -51.87 -46.9 54.68 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 124.263 0.935 . . . . 0.0 111.345 175.399 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 52.3 mt -63.29 -48.34 78.52 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 123.342 0.657 . . . . 0.0 110.277 177.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 75.0 mt -54.83 -48.66 72.56 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 119.43 1.014 . . . . 0.0 110.615 177.318 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 mm -60.87 -45.28 98.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 123.126 0.57 . . . . 0.0 110.345 177.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.04 -57.18 18.37 Favored Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -178.248 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -64.65 -34.11 67.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 C-N-CA 125.223 1.409 . . . . 0.0 110.073 -173.23 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -33.0 -61.89 0.27 Allowed 'General case' 0 C--N 1.342 0.271 0 C-N-CA 124.955 1.302 . . . . 0.0 113.587 178.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -91.99 -4.72 54.17 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.992 0.917 . . . . 0.0 113.364 -178.478 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 4.7 mmtm -64.78 -32.84 74.71 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 165.451 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 17.3 m-30 -73.67 102.33 3.9 Favored 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 105.327 -2.101 . . . . 0.0 105.327 165.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 66.1 m 121.76 -4.18 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 131.613 3.965 . . . . 0.0 110.857 -168.194 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.657 0 C-N-CA 126.009 1.766 . . . . 0.0 111.132 -179.666 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 4.6 mmmp? . . . . . 0 N--CA 1.449 -0.478 0 CA-C-O 121.619 0.723 . . . . 0.0 111.372 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 10.4 p-80 -78.62 45.49 0.59 Allowed 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 167.476 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 2.4 p -156.5 164.55 38.09 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 126.358 1.863 . . . . 0.0 107.715 -167.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 26.0 mt -70.67 175.78 4.66 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 166.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 67.6 m -127.18 130.93 50.66 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 103.525 -2.768 . . . . 0.0 103.525 164.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 3.5 pttm -40.25 -48.34 2.59 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 -168.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.66 -46.5 70.62 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 121.691 -0.63 . . . . 0.0 111.187 176.601 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -61.25 -28.22 69.01 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.84 0.856 . . . . 0.0 110.662 -177.297 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.1 -31.6 65.43 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.49 -0.756 . . . . 0.0 109.716 173.711 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -58.73 -26.88 64.37 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.394 -0.816 . . . . 0.0 112.215 173.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.99 -51.87 8.05 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 119.355 0.979 . . . . 0.0 108.368 173.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 tt -41.91 -54.15 3.55 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.687 1.595 . . . . 0.0 111.054 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 20.1 tt -59.87 -33.4 52.45 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 C-N-CA 123.347 0.659 . . . . 0.0 112.572 -177.369 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -78.49 -52.95 7.77 Favored 'General case' 0 C--N 1.338 0.104 0 CA-C-N 118.536 0.607 . . . . 0.0 110.023 178.091 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' LYS . . . . . 0.414 ' NZ ' ' OE2' ' B' ' 41' ' ' GLU . 7.4 mtmp? -89.55 -80.08 0.31 Allowed 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.252 0.621 . . . . 0.0 111.063 -172.009 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.414 ' OE2' ' NZ ' ' B' ' 40' ' ' LYS . 18.4 mp0 -53.49 -36.76 62.04 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.92 0.888 . . . . 0.0 113.281 -168.217 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 24.5 mt -66.95 0.61 2.39 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 176.354 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 3.8 m 22.47 73.98 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 127.374 2.269 . . . . 0.0 115.026 167.062 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . 0.311 62.3 mt 89.94 -38.79 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 125.424 1.49 . . . . 0.0 112.817 177.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.766 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 -175.622 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 16.2 t70 . . . . . 0 CA--C 1.536 0.44 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -29.48 -49.15 0.09 Allowed 'General case' 0 C--N 1.344 0.363 0 C-N-CA 126.412 1.885 . . . . 0.0 112.706 169.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 93.7 mt -53.15 -13.4 0.49 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.876 2.071 . . . . 0.0 114.085 -174.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -53.08 -18.63 2.22 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.181 0.993 . . . . 0.0 110.721 165.27 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.94 20.73 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 128.985 2.914 . . . . 0.0 116.871 173.537 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -61.51 -46.76 88.64 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 119.294 -2.129 . . . . 0.0 111.331 175.051 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.13 169.71 17.82 Favored 'General case' 0 N--CA 1.438 -1.055 0 CA-C-O 122.358 1.075 . . . . 0.0 109.867 178.153 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 25.8 t0 49.67 34.94 7.89 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 127.85 2.46 . . . . 0.0 113.094 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 71.1 mm-40 73.77 -49.12 0.68 Allowed 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 126.161 1.784 . . . . 0.0 115.286 168.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -147.65 -175.38 4.84 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.73 1.212 . . . . 0.0 109.054 174.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 22.8 t -59.68 121.85 8.42 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 C-N-CA 123.733 0.813 . . . . 0.0 110.245 -169.437 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -104.96 171.58 7.24 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.815 1.246 . . . . 0.0 110.076 -176.598 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -60.67 -36.32 78.43 Favored 'General case' 0 C--N 1.341 0.222 0 O-C-N 121.635 -0.666 . . . . 0.0 111.009 -171.336 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -52.45 -64.76 0.71 Allowed 'General case' 0 C--O 1.224 -0.254 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 172.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 31.1 mp0 -51.02 -56.88 10.31 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.784 1.234 . . . . 0.0 110.654 -177.621 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -43.84 -56.69 3.71 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.951 1.3 . . . . 0.0 110.847 175.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 24.7 mm -63.52 -35.84 74.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 CA-C-O 119.226 -0.416 . . . . 0.0 111.215 177.25 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 23.8 m -59.15 -50.32 74.48 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 108.698 -0.852 . . . . 0.0 108.698 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . 0.253 7.7 p90 -66.51 -51.31 57.98 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 117.842 -1.543 . . . . 0.0 111.916 176.025 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 39.7 mt -48.62 -42.77 35.14 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 118.373 0.533 . . . . 0.0 111.586 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -49.23 -41.24 30.78 Favored Glycine 0 CA--C 1.53 0.991 0 C-N-CA 125.35 1.452 . . . . 0.0 113.203 175.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.49 -50.54 51.52 Favored 'General case' 0 C--N 1.34 0.16 0 CA-C-N 117.991 0.895 . . . . 0.0 109.109 -177.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 4.1 mp -55.61 -40.51 72.18 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 176.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.53 8.31 0.5 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.745 1.618 . . . . 0.0 114.916 176.043 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 64.5 mtp -90.91 -37.36 13.59 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 164.522 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 25.4 mm -93.07 -65.3 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 C-N-CA 124.537 1.135 . . . . 0.0 113.831 -167.669 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . 0.251 0.0 OUTLIER -69.71 -12.62 61.78 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 116.561 2.06 . . . . 0.0 116.561 -165.38 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -91.66 -100.14 0.11 Allowed 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.117 1.367 . . . . 0.0 113.136 -173.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.181 0 C-N-CA 126.006 1.722 . . . . 0.0 112.117 -168.437 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 83.1 mt . . . . . 0 CA--C 1.53 0.204 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.37 -55.14 17.41 Favored Glycine 0 CA--C 1.524 0.616 0 C-N-CA 124.229 0.919 . . . . 0.0 111.491 179.099 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 69.4 tp -60.51 -60.05 4.42 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 117.585 0.692 . . . . 0.0 109.549 -175.593 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.5 mt -64.16 -46.77 82.57 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.902 -170.74 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.3 mt -65.78 -42.78 93.07 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.13 0 CA-C-N 118.389 0.54 . . . . 0.0 109.906 177.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.68 -56.72 10.8 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 176.605 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.6 mm -64.93 -46.61 91.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-O 118.661 -0.685 . . . . 0.0 111.069 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -28.88 -77.56 0.02 OUTLIER 'General case' 0 C--N 1.344 0.327 0 C-N-CA 126.506 1.923 . . . . 0.0 112.94 -168.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -92.79 14.33 17.62 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 125.572 1.549 . . . . 0.0 113.017 -172.566 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.89 -31.23 27.41 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 118.881 0.764 . . . . 0.0 110.871 177.249 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -73.87 2.74 7.83 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -178.419 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.7 m . . . . . 0 CA--C 1.54 0.592 0 CA-C-N 119.452 1.023 . . . . 0.0 111.337 169.262 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.407 ' HZ3' ' HB3' ' A' ' 26' ' ' LYS . 6.7 mtpm? . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -91.63 9.33 32.73 Favored 'General case' 0 CA--C 1.53 0.201 0 O-C-N 122.375 -0.203 . . . . 0.0 111.318 -173.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.5 p -145.97 152.64 39.72 Favored 'General case' 0 C--O 1.24 0.567 0 C-N-CA 126.351 1.86 . . . . 0.0 106.551 169.644 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.6 mp -93.42 111.91 23.69 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 169.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 17.2 m -84.5 63.8 8.07 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 123.687 0.795 . . . . 0.0 110.492 -170.447 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.0 mptt 66.75 -65.48 0.21 Allowed 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 127.629 2.372 . . . . 0.0 112.014 174.424 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.412 ' NZ ' ' OE1' ' A' ' 33' ' ' GLU . 3.2 mtmp? -51.63 -51.72 53.46 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.687 0.795 . . . . 0.0 110.147 -177.303 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.412 ' OE1' ' NZ ' ' A' ' 32' ' ' LYS . 2.1 mp0 -50.56 -46.5 57.69 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 123.193 0.597 . . . . 0.0 111.161 176.434 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 26.3 tp -71.08 -40.15 71.76 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 120.017 -0.673 . . . . 0.0 110.098 -178.367 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? -50.75 -45.86 59.05 Favored 'General case' 0 C--N 1.341 0.208 0 CA-C-N 118.651 0.659 . . . . 0.0 109.584 171.459 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -66.33 -41.82 89.06 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 121.467 0.651 . . . . 0.0 110.71 -178.494 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.443 HD21 HD21 ' A' ' 42' ' ' LEU . 7.8 tt -55.62 -66.04 0.49 Allowed 'General case' 0 N--CA 1.441 -0.906 0 CA-C-O 116.945 -1.502 . . . . 0.0 110.551 176.727 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.57 ' HA ' ' HB3' ' A' ' 41' ' ' GLU . 22.7 pt -60.22 13.22 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.556 1.18 0 C-N-CA 126.609 1.964 . . . . 0.0 115.497 -168.141 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -91.94 -71.53 0.64 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.919 1.688 . . . . 0.0 110.074 170.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.9 ptmm? -92.4 30.83 1.41 Allowed 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 128.378 2.671 . . . . 0.0 109.03 -177.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.57 ' HB3' ' HA ' ' A' ' 38' ' ' ILE . 0.1 OUTLIER -75.39 -111.97 0.01 OUTLIER 'General case' 0 N--CA 1.432 -1.33 1 N-CA-C 123.744 4.72 . . . . 0.0 123.744 -156.586 . . . . . . . . 4 4 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.509 ' H ' ' CG ' ' A' ' 41' ' ' GLU . 28.2 mt -99.67 -60.44 1.53 Allowed 'General case' 0 N--CA 1.438 -1.038 0 C-N-CA 128.805 2.842 . . . . 0.0 113.347 -164.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 35.6 p -56.36 -89.09 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.439 0 O-C-N 124.721 1.263 . . . . 0.0 113.793 -166.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.218 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.813 -167.268 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.5 tt . . . . . 0 C--O 1.225 -0.228 0 CA-C-O 118.879 -0.581 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -90.32 -62.46 1.46 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.542 0.737 . . . . 0.0 110.226 169.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -48.96 -46.84 44.02 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.038 0.935 . . . . 0.0 112.807 -168.734 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.32 17.83 2.43 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -173.475 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 80.3 mt -90.58 -65.67 0.99 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 119.399 1.0 . . . . 0.0 110.909 173.63 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.15 -30.75 0.1 Allowed 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 128.254 2.622 . . . . 0.0 111.252 174.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 62' ' ' ARG . 0.7 OUTLIER -53.19 26.11 0.0 OUTLIER 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 129.977 3.311 . . . . 0.0 115.332 167.858 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.46 ' ND2' ' H ' ' A' ' 65' ' ' ASP . 9.7 t30 -32.77 -64.04 0.2 Allowed 'General case' 0 C--O 1.236 0.369 0 C-N-CA 126.998 2.119 . . . . 0.0 110.774 168.062 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.33 30.59 0.32 Allowed 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.981 1.312 . . . . 0.0 111.253 -177.28 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.46 ' H ' ' ND2' ' A' ' 63' ' ' ASN . 0.7 OUTLIER -23.43 -65.94 0.04 OUTLIER 'General case' 0 C--N 1.344 0.342 0 C-N-CA 128.601 2.761 . . . . 0.0 109.616 -167.279 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -99.88 -44.34 6.09 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 110.918 -2.855 . . . . 0.0 111.782 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -159.94 165.36 32.24 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.686 1.195 . . . . 0.0 109.321 170.577 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.6 t -79.69 119.12 28.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 C-N-CA 124.546 1.138 . . . . 0.0 109.219 -173.271 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -103.6 152.1 22.15 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.511 1.124 . . . . 0.0 111.131 176.413 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -44.83 -50.88 10.02 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 125.943 1.697 . . . . 0.0 111.178 171.627 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -54.86 -38.1 67.06 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 122.675 0.39 . . . . 0.0 111.374 -176.049 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -69.13 -62.33 1.42 Allowed 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 177.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -38.33 -52.82 1.52 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 126.541 1.937 . . . . 0.0 112.219 178.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 11.4 tp -66.44 -30.78 50.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 O-C-N 121.76 -0.587 . . . . 0.0 111.837 -174.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 31.2 m -59.65 -53.43 58.13 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 121.628 0.727 . . . . 0.0 110.547 -172.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -73.27 -41.91 63.09 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.233 -172.011 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.4 mt -46.1 -54.15 9.06 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 168.611 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.82 -57.96 10.08 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 124.539 1.066 . . . . 0.0 112.266 177.236 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.62 -58.17 7.1 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 117.015 0.408 . . . . 0.0 110.955 178.359 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 41.9 mt -63.41 -32.56 74.03 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -173.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -49.34 -41.05 37.58 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.66 0.664 . . . . 0.0 111.787 175.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 89.5 mtp -55.23 -36.07 65.61 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 122.605 0.362 . . . . 0.0 111.355 177.287 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 43.2 mt -84.41 -56.08 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 C-N-CA 123.826 0.851 . . . . 0.0 109.169 -175.471 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -90.07 -21.31 22.37 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 115.35 1.611 . . . . 0.0 115.35 -168.275 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -72.13 -68.38 0.47 Allowed 'General case' 0 C--N 1.342 0.28 0 CA-C-N 120.37 1.441 . . . . 0.0 111.884 -168.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 C-N-CA 126.964 2.106 . . . . 0.0 106.332 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 48.6 mt -61.02 -37.36 77.14 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 173.434 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -42.3 -36.96 2.27 Favored Glycine 0 C--N 1.335 0.518 0 C-N-CA 127.309 2.385 . . . . 0.0 113.967 170.45 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -57.57 -50.48 72.97 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.293 1.547 . . . . 0.0 109.264 175.395 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 39.1 mt -70.19 -50.11 43.46 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.559 1.144 . . . . 0.0 109.949 -177.009 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 84.5 mt -58.43 -30.56 41.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 C-N-CA 123.99 0.916 . . . . 0.0 110.532 175.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.01 -61.75 3.87 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 109.857 -1.297 . . . . 0.0 109.857 176.512 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 55.0 mt -49.18 -40.45 13.5 Favored 'Isoleucine or valine' 0 C--N 1.34 0.195 0 C-N-CA 123.739 0.816 . . . . 0.0 110.65 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -32.85 -71.17 0.06 Allowed 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 125.609 1.563 . . . . 0.0 113.972 -177.379 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 3.8 p80 -92.96 13.49 20.48 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 123.133 0.573 . . . . 0.0 112.343 -178.14 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -53.43 -41.67 66.3 Favored 'General case' 0 CA--C 1.527 0.084 0 CA-C-N 119.153 0.888 . . . . 0.0 110.191 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' TYR . . . . . 0.423 ' CE2' ' HB3' ' B' ' 36' ' ' GLU . 49.0 m-85 -70.44 -9.31 56.11 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -179.525 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 9.5 m -78.26 -11.79 59.96 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 118.692 0.678 . . . . 0.0 110.718 168.262 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 C-N-CA 124.982 1.277 . . . . 0.0 111.857 -175.045 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 53.1 tttm . . . . . 0 N--CA 1.451 -0.411 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -77.75 42.01 0.36 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.3 0.64 . . . . 0.0 112.471 -175.087 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 57.3 p -155.28 132.85 11.19 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 126.654 1.982 . . . . 0.0 107.057 170.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 16.3 mt -98.51 152.01 20.01 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 123.088 0.555 . . . . 0.0 109.885 175.521 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 15.3 m -107.96 -67.35 0.97 Allowed 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 -170.628 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.44 -64.07 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 125.76 1.624 . . . . 0.0 109.813 -174.127 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -55.82 -34.85 65.75 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-O 121.057 0.456 . . . . 0.0 111.568 -175.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' GLU . . . . . 0.478 ' CD ' ' H ' ' B' ' 33' ' ' GLU . 20.3 mp0 -68.61 -47.38 66.84 Favored 'General case' 0 N--CA 1.443 -0.776 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 178.312 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 23.9 mt -59.9 -46.99 87.59 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.846 -179.257 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -46.6 -44.51 18.26 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 118.83 0.741 . . . . 0.0 111.414 -179.002 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' GLU . . . . . 0.423 ' HB3' ' CE2' ' B' ' 19' ' ' TYR . 62.4 mm-40 -74.21 -43.56 56.69 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 178.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 tt -67.77 -56.9 7.44 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 124.043 0.937 . . . . 0.0 111.443 -175.32 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 6.1 pt -61.22 -58.27 8.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 C-N-CA 123.393 0.677 . . . . 0.0 111.877 -167.367 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -49.2 -56.75 8.3 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.523 0.729 . . . . 0.0 110.412 176.089 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -73.64 -62.21 1.57 Allowed 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -168.211 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -92.48 -31.08 15.39 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -168.223 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 17.5 mt -82.61 -56.3 3.94 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-N 119.388 0.995 . . . . 0.0 111.793 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 16.8 p -65.63 154.81 37.76 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 119.61 1.095 . . . . 0.0 111.678 -173.141 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -42.19 -59.13 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 125.058 1.343 . . . . 0.0 113.826 -177.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.099 0 N-CA-C 110.496 -1.042 . . . . 0.0 110.496 -168.992 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 16.9 t70 . . . . . 0 N--CA 1.455 -0.213 0 CA-C-O 121.121 0.486 . . . . 0.0 112.118 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -72.43 -1.28 15.1 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 119.748 -1.845 . . . . 0.0 113.035 175.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 77.8 mt -64.78 -3.55 3.44 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.109 -0.994 . . . . 0.0 110.948 168.318 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -46.28 -34.73 4.69 Favored 'General case' 0 C--N 1.346 0.453 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 163.483 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . 0.288 73.0 mtm-85 -77.62 22.97 0.24 Allowed 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 178.355 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -49.48 -44.43 45.94 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.291 0.95 . . . . 0.0 109.01 166.371 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . 0.343 0.0 OUTLIER 61.77 -15.23 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 118.161 2.652 . . . . 0.0 118.161 169.045 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -67.59 -24.74 65.53 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 120.213 1.37 . . . . 0.0 111.487 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.79 166.26 24.88 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 126.295 1.838 . . . . 0.0 108.691 -177.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -72.82 142.19 48.01 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 168.138 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 77.6 t -69.29 104.93 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 N-CA-C 106.384 -1.71 . . . . 0.0 106.384 173.417 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -99.88 -173.03 2.34 Favored 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 106.6 -1.63 . . . . 0.0 106.6 175.762 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.412 ' O ' HG22 ' B' ' 74' ' ' ILE . 32.6 t80 -61.01 -36.02 78.4 Favored 'General case' 0 C--O 1.222 -0.35 0 C-N-CA 119.36 -0.936 . . . . 0.0 110.316 -173.206 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.45 -61.24 2.44 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 118.126 0.421 . . . . 0.0 110.141 -176.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 27.4 mp0 -63.93 -51.25 65.28 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -178.284 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -44.69 -53.93 6.75 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.613 0.765 . . . . 0.0 112.061 -178.27 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 74' ' ' ILE . . . . . 0.412 HG22 ' O ' ' B' ' 70' ' ' PHE . 10.5 tp -77.68 -41.5 28.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 122.784 0.434 . . . . 0.0 110.923 -172.43 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 54.4 m -59.62 -46.41 89.07 Favored 'General case' 0 C--N 1.339 0.129 0 CA-C-O 121.597 0.713 . . . . 0.0 109.297 177.515 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -52.47 -62.17 1.82 Allowed 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 126.382 1.873 . . . . 0.0 109.408 171.38 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -42.47 -46.6 4.84 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-N 118.968 0.804 . . . . 0.0 111.336 173.64 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.16 -59.67 10.38 Favored Glycine 0 CA--C 1.526 0.768 0 C-N-CA 124.104 0.859 . . . . 0.0 111.517 178.158 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.75 -50.05 74.52 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 117.967 0.883 . . . . 0.0 110.115 -177.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 9.8 mp -49.75 -53.38 25.25 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 124.477 1.111 . . . . 0.0 109.761 174.31 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.49 -54.19 46.62 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.582 0.753 . . . . 0.0 110.799 -176.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 39.1 ttp -44.07 -54.68 5.3 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.086 1.354 . . . . 0.0 108.933 176.409 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 30.3 mm -65.58 -71.25 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 122.69 0.396 . . . . 0.0 111.082 178.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -61.28 -22.77 65.15 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 -167.797 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -64.45 -75.3 0.09 Allowed 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 177.027 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.666 -178.19 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 24.9 mm . . . . . 0 C--O 1.221 -0.409 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -51.29 -54.16 24.82 Favored Glycine 0 CA--C 1.525 0.695 0 C-N-CA 124.909 1.243 . . . . 0.0 111.562 175.22 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -54.28 -53.45 53.61 Favored 'General case' 0 CA--C 1.528 0.128 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 175.55 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.0 mt -56.55 -39.05 72.75 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 119.227 -0.416 . . . . 0.0 111.858 -178.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.5 mt -64.83 -48.16 85.5 Favored 'Isoleucine or valine' 0 C--O 1.23 0.076 0 C-N-CA 124.931 1.292 . . . . 0.0 109.223 176.073 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.0 -53.03 35.89 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.273 -1.131 . . . . 0.0 110.273 177.684 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.5 mm -57.6 -67.14 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 123.33 0.652 . . . . 0.0 109.448 176.509 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -29.9 -70.23 0.06 Allowed 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 126.471 1.908 . . . . 0.0 111.71 172.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . 0.283 1.1 m-70 -79.44 6.3 10.57 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 115.443 1.646 . . . . 0.0 115.443 -173.424 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.85 -22.59 65.12 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.825 1.193 . . . . 0.0 108.515 166.423 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -117.75 47.61 1.52 Allowed 'General case' 0 C--O 1.225 -0.202 0 C-N-CA 124.003 0.921 . . . . 0.0 109.424 -175.119 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.7 m . . . . . 0 CA--C 1.532 0.26 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -178.752 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.228 0 N-CA-C 107.324 -1.361 . . . . 0.0 107.324 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -148.21 -34.57 0.22 Allowed 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 -170.101 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 61.8 p -132.12 -153.03 0.53 Allowed 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -177.151 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.0 mp -117.16 86.21 2.47 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 173.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.2 t -50.64 78.91 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 126.3 1.84 . . . . 0.0 113.288 172.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.292 32.2 mttp 16.53 -55.99 0.0 OUTLIER 'General case' 0 C--N 1.341 0.225 1 C-N-CA 133.97 4.908 . . . . 0.0 118.967 -175.965 . . . . . . . . 3 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.74 -32.71 44.62 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 120.134 1.333 . . . . 0.0 110.337 169.781 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -49.93 -56.24 11.33 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 122.028 0.918 . . . . 0.0 110.899 167.06 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.08 -25.68 63.64 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.307 -176.153 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.1 mmpt? -65.33 -42.85 92.5 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 120.81 -1.181 . . . . 0.0 110.865 172.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -56.55 -33.63 66.31 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 121.959 0.885 . . . . 0.0 110.959 172.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.4 tt -72.96 -75.09 0.15 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.894 1.278 . . . . 0.0 111.209 178.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 13.7 tt -43.98 -49.21 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 C-N-CA 126.196 1.799 . . . . 0.0 113.829 -168.501 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -59.59 -30.38 68.62 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.159 0.583 . . . . 0.0 111.26 -173.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -92.35 -91.61 0.16 Allowed 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 125.196 1.398 . . . . 0.0 113.785 -167.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.0 pm0 -84.91 -45.62 12.06 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 117.819 2.525 . . . . 0.0 117.819 -164.561 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.31 20.01 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 118.46 2.763 . . . . 0.0 118.46 -164.72 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.0 t -125.22 -166.22 1.51 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.868 1.267 . . . . 0.0 108.29 173.097 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.3 mt . . . . . 0 C--O 1.232 0.147 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 -178.649 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.5 mt . . . . . 0 C--O 1.234 0.252 0 CA-C-O 119.063 -0.494 . . . . 0.0 112.299 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 26.1 mmt -78.08 -57.15 3.95 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 118.979 0.809 . . . . 0.0 109.192 172.326 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -66.6 -15.34 63.37 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 126.033 1.733 . . . . 0.0 113.739 -169.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -59.26 -5.7 0.79 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.944 0.897 . . . . 0.0 110.4 165.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 mt -26.9 -33.33 0.0 OUTLIER 'General case' 0 C--N 1.344 0.36 1 C-N-CA 132.305 4.242 . . . . 0.0 115.73 169.532 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -42.23 -31.29 0.37 Allowed 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.242 0.928 . . . . 0.0 111.27 167.44 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -36.41 -52.12 0.83 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 127.953 2.501 . . . . 0.0 112.144 169.222 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -29.92 -88.65 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 129.478 3.111 . . . . 0.0 116.69 -169.07 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.82 128.35 35.34 Favored 'General case' 0 N--CA 1.44 -0.953 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 -167.707 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 41.2 t0 6.85 79.34 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 129.285 3.034 . . . . 0.0 114.073 169.418 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 53.11 -59.76 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 129.13 2.972 . . . . 0.0 118.356 164.363 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.47 157.1 1.58 Allowed 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 124.478 1.111 . . . . 0.0 111.415 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.5 p -162.82 85.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-O 123.015 1.388 . . . . 0.0 110.819 178.487 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -83.09 173.05 12.07 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 126.16 1.784 . . . . 0.0 109.194 171.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -47.84 -52.34 19.46 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.345 1.058 . . . . 0.0 111.425 -174.555 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -47.67 -47.34 29.6 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.081 0.552 . . . . 0.0 111.449 177.276 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -71.31 -53.88 12.72 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 -176.254 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -44.01 -45.2 7.77 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.174 1.389 . . . . 0.0 111.498 175.114 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 23.0 mm -60.8 -30.15 46.65 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 CA-C-O 117.94 -1.028 . . . . 0.0 112.629 -177.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 76.1 p -55.41 -54.31 45.28 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 121.043 1.747 . . . . 0.0 111.591 -170.282 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 14.6 p90 -64.32 -43.44 94.67 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.236 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 20.2 mt -52.91 -49.79 65.25 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.419 0.554 . . . . 0.0 110.018 172.562 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -52.89 -50.06 52.11 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 124.166 0.889 . . . . 0.0 112.684 174.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.33 -56.65 19.14 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 117.7 0.75 . . . . 0.0 110.296 176.188 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.4 tp -54.31 -40.31 67.82 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.249 1.419 . . . . 0.0 111.069 -177.124 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -46.76 -49.52 19.57 Favored 'General case' 0 C--N 1.339 0.144 0 C-N-CA 124.231 1.012 . . . . 0.0 111.553 175.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 74.7 mtm -67.38 -13.65 62.21 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 118.94 -0.553 . . . . 0.0 112.37 -178.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 45.0 mt -91.06 -71.36 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 171.582 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . 0.254 0.0 OUTLIER -77.17 -31.37 55.42 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -168.425 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.34 23.18 4.63 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.226 1.011 . . . . 0.0 112.155 -176.594 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 . . . . . 0 N--CA 1.45 -0.437 0 CA-C-O 122.809 1.29 . . . . 0.0 113.62 -169.844 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.372 0 N-CA-C 111.419 0.155 . . . . 0.0 111.419 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 39.7 mm -57.88 -48.41 83.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 171.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.35 -46.52 22.24 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.301 -0.72 . . . . 0.0 111.301 170.352 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.43 -46.27 89.31 Favored 'General case' 0 C--O 1.224 -0.266 0 C-N-CA 124.534 1.134 . . . . 0.0 110.027 -179.235 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 47.3 mt -56.46 -44.27 80.35 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 119.298 0.954 . . . . 0.0 111.448 173.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 48.4 mt -64.43 -36.47 77.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 176.267 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.01 -56.59 24.32 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.541 -1.024 . . . . 0.0 110.541 172.395 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 95.3 mt -55.28 -39.79 53.47 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.183 0 CA-C-O 118.208 -0.901 . . . . 0.0 109.549 178.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -56.31 -77.96 0.03 OUTLIER 'General case' 0 C--N 1.341 0.224 0 CA-C-N 118.878 0.763 . . . . 0.0 109.176 168.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . 0.442 0.3 OUTLIER -73.28 2.43 7.46 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 118.485 2.772 . . . . 0.0 118.485 -168.667 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -60.68 -38.86 86.35 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 163.444 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' TYR . . . . . 0.434 ' HB3' ' HB3' ' B' ' 33' ' ' GLU . 67.3 m-85 -82.05 143.53 31.47 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 169.483 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 14.7 m 91.87 36.92 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 127.006 2.122 . . . . 0.0 106.128 -164.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.922 0 O-C-N 121.935 -0.478 . . . . 0.0 113.167 -168.645 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . 0.309 0.0 OUTLIER . . . . . 0 CA--C 1.54 0.564 0 N-CA-C 120.069 3.359 . . . . 0.0 120.069 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -70.08 -24.45 63.23 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 127.215 2.206 . . . . 0.0 110.908 167.355 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.42 162.63 16.87 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 128.03 2.532 . . . . 0.0 108.694 -169.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 10.9 mt -71.89 114.66 10.23 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 107.154 -1.425 . . . . 0.0 107.154 168.685 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.22 154.89 36.79 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 170.594 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -41.13 -57.34 2.09 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.214 1.005 . . . . 0.0 112.285 176.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.32 -29.98 66.33 Favored 'General case' 0 C--N 1.342 0.243 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 -178.35 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 33' ' ' GLU . . . . . 0.434 ' HB3' ' HB3' ' B' ' 19' ' ' TYR . 5.8 mm-40 -69.68 -47.03 64.69 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 179.427 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 tt -62.18 -45.33 93.87 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 120.085 -0.646 . . . . 0.0 110.892 179.205 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 55.7 mmtt -52.88 -45.35 67.43 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 118.917 0.78 . . . . 0.0 110.007 176.077 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -71.44 -27.31 63.18 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -177.214 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 tt -66.9 -65.49 0.67 Allowed 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 125.897 1.679 . . . . 0.0 109.724 173.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 24.0 pt -54.92 -37.31 41.07 Favored 'Isoleucine or valine' 0 C--N 1.338 0.103 0 C-N-CA 122.969 0.508 . . . . 0.0 112.22 -168.454 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -66.11 -36.36 82.96 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 118.554 -0.736 . . . . 0.0 112.376 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm -93.32 -74.42 0.53 Allowed 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 115.897 1.814 . . . . 0.0 115.897 -168.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -90.72 -43.54 10.05 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 115.743 1.757 . . . . 0.0 115.743 -164.068 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -27.79 -70.18 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 118.088 2.625 . . . . 0.0 118.088 -165.429 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.4 154.24 18.66 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.598 1.159 . . . . 0.0 110.895 -168.021 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 31.2 pt 25.37 62.37 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 127.028 2.131 . . . . 0.0 114.57 172.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.16 0 C-N-CA 124.386 0.993 . . . . 0.0 113.848 176.573 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 58' ' ' ASP . . . . . 0.507 ' C ' ' H ' ' B' ' 60' ' ' LEU 0.404 0.5 OUTLIER . . . . . 0 CA--C 1.507 -0.688 0 N-CA-C 117.79 2.515 . . . . 0.0 117.79 . . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -58.8 34.75 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 130.167 3.387 . . . . 0.0 110.553 161.66 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.507 ' H ' ' C ' ' B' ' 58' ' ' ASP . 7.2 tt -32.2 -23.62 0.0 OUTLIER 'General case' 0 C--N 1.347 0.462 1 C-N-CA 134.644 5.177 . . . . 0.0 114.947 -172.735 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -42.2 -31.32 0.37 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.714 1.605 . . . . 0.0 110.49 164.771 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 62' ' ' ARG . . . . . 0.403 ' NH1' ' HA ' ' B' ' 58' ' ' ASP . 17.1 ptt180 -41.75 -34.38 0.62 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.562 1.945 . . . . 0.0 113.959 171.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -90.89 -101.59 0.1 Allowed 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 117.496 2.406 . . . . 0.0 117.496 -166.198 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.79 126.81 31.44 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 -163.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . 0.316 0.2 OUTLIER 67.56 -44.61 0.48 Allowed 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 130.602 3.561 . . . . 0.0 112.376 178.49 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 125.0 -16.47 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.439 1 C-N-CA 132.585 4.354 . . . . 0.0 112.03 169.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -103.06 173.71 6.19 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 166.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 2.8 t -124.19 145.73 30.85 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.171 0 C-N-CA 123.416 0.686 . . . . 0.0 109.354 -177.005 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -109.73 -154.8 0.54 Allowed 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 125.426 1.49 . . . . 0.0 108.323 175.261 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -76.69 -39.47 51.96 Favored 'General case' 0 C--O 1.223 -0.333 0 O-C-N 121.152 -0.967 . . . . 0.0 110.506 177.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -55.09 -56.97 13.9 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 118.382 0.537 . . . . 0.0 111.803 -172.376 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -61.34 -51.92 66.82 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -177.391 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -42.39 -62.94 0.85 Allowed 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.928 1.291 . . . . 0.0 110.77 175.549 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 10.9 tp -70.51 -36.1 64.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 O-C-N 121.481 -0.762 . . . . 0.0 111.071 -172.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 88.5 m -56.85 -45.76 82.2 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 119.052 0.842 . . . . 0.0 109.524 173.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -64.81 -57.14 9.67 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 126.253 1.821 . . . . 0.0 111.119 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 6.6 mp -47.15 -47.2 23.72 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 118.604 0.638 . . . . 0.0 110.188 169.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.55 -53.61 34.64 Favored Glycine 0 CA--C 1.524 0.627 0 C-N-CA 125.217 1.389 . . . . 0.0 111.03 178.185 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.41 -51.33 69.87 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.726 0.81 . . . . 0.0 110.623 178.555 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 90.5 mt -61.81 -41.98 98.44 Favored 'General case' 0 CA--C 1.532 0.272 0 O-C-N 121.786 -0.571 . . . . 0.0 110.543 -178.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.96 -43.59 98.54 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.501 0.72 . . . . 0.0 110.282 174.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 21.0 ttp -51.41 -34.15 33.41 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.932 0.893 . . . . 0.0 110.04 174.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 67.4 mt -74.81 -77.27 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 169.348 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . 0.28 49.9 p90 -57.43 -37.18 72.37 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 115.787 1.773 . . . . 0.0 115.787 -166.784 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -75.74 29.56 0.11 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.899 1.28 . . . . 0.0 112.945 175.605 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 . . . . . 0 CA--C 1.532 0.261 0 C-N-CA 130.706 3.603 . . . . 0.0 118.56 -169.173 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 22.9 mm . . . . . 0 CA--C 1.538 0.51 0 CA-C-O 120.899 0.381 . . . . 0.0 110.169 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -51.42 -47.33 51.32 Favored Glycine 0 CA--C 1.535 1.342 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 168.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.9 mp -60.16 -39.75 87.48 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-O 117.709 -1.139 . . . . 0.0 110.993 173.523 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.1 mp -55.27 -50.34 69.75 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 121.143 1.792 . . . . 0.0 110.096 172.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 86.1 mt -58.1 -44.47 87.45 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 O-C-N 121.996 -0.44 . . . . 0.0 110.51 178.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.14 -65.24 3.41 Favored Glycine 0 CA--C 1.534 1.256 0 O-C-N 121.741 -0.6 . . . . 0.0 111.948 176.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.5 tt -60.13 -31.31 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 125.591 1.556 . . . . 0.0 111.771 -169.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -30.04 -73.96 0.03 OUTLIER 'General case' 0 C--N 1.344 0.369 0 C-N-CA 125.494 1.518 . . . . 0.0 111.692 176.513 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -90.4 20.03 4.79 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 126.522 1.929 . . . . 0.0 113.119 -178.614 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -43.51 65.39 Favored 'General case' 0 N--CA 1.461 0.118 0 N-CA-C 104.401 -2.444 . . . . 0.0 104.401 165.579 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -69.4 78.92 0.39 Allowed 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 169.081 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.6 m . . . . . 0 CA--C 1.536 0.409 0 C-N-CA 126.236 1.814 . . . . 0.0 109.887 -179.614 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 43.5 mmtm . . . . . 0 CA--C 1.536 0.412 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -153.91 124.45 7.09 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.279 1.032 . . . . 0.0 109.306 -169.022 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 p -78.1 152.27 32.96 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 125.223 1.409 . . . . 0.0 110.317 176.394 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.3 mt -83.44 71.84 10.27 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 121.545 -0.722 . . . . 0.0 109.163 -176.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.0 p -64.78 73.2 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.641 1.576 . . . . 0.0 114.153 -174.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.436 ' NZ ' ' OE2' ' A' ' 67' ' ' GLU 0.331 0.0 OUTLIER 55.6 -61.4 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 129.878 3.271 . . . . 0.0 115.58 175.612 . . . . . . . . 4 4 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.1 pttp -56.96 -41.09 77.68 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.187 -0.946 . . . . 0.0 109.974 175.412 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.6 mp0 -52.71 -51.9 58.4 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.835 -0.541 . . . . 0.0 111.215 170.574 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.7 mt -59.61 -44.95 93.26 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 118.358 0.526 . . . . 0.0 111.111 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.27 -51.3 45.99 Favored 'General case' 0 C--N 1.34 0.181 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 171.81 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -65.89 -32.33 73.78 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -175.445 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.2 tt -62.09 -77.4 0.05 OUTLIER 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 126.062 1.745 . . . . 0.0 109.546 176.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.2 pt -53.42 -0.48 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.553 1.081 0 N-CA-C 116.865 2.172 . . . . 0.0 116.865 -166.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.408 ' C ' ' H ' ' A' ' 41' ' ' GLU . 19.0 mm-40 -90.57 -59.85 2.07 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 120.763 1.619 . . . . 0.0 108.199 168.657 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.2 mttp -78.5 32.19 0.19 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 129.847 3.259 . . . . 0.0 107.558 169.575 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.408 ' H ' ' C ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -27.88 -108.12 0.0 OUTLIER 'General case' 0 N--CA 1.425 -1.712 1 C-N-CA 131.711 4.005 . . . . 0.0 118.915 -158.553 . . . . . . . . 4 4 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . 0.376 7.6 mt -98.41 -97.03 0.22 Allowed 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 113.928 -1.487 . . . . 0.0 114.129 -162.378 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.0 m -157.37 156.35 32.13 Favored 'General case' 0 N--CA 1.463 0.198 0 O-C-N 121.068 -1.02 . . . . 0.0 110.304 -177.327 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.1 pt . . . . . 0 N--CA 1.454 -0.253 0 C-N-CA 124.069 0.948 . . . . 0.0 110.193 169.921 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 63.2 tp . . . . . 0 CA--C 1.532 0.273 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.5 tpt -58.43 -47.92 82.38 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 122.966 0.506 . . . . 0.0 110.346 -177.533 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -42.91 -43.27 4.03 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 125.718 1.607 . . . . 0.0 111.875 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -62.55 3.85 0.18 Allowed 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -178.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 pp -84.36 -32.69 24.1 Favored 'General case' 0 CA--C 1.528 0.116 0 O-C-N 119.889 -1.757 . . . . 0.0 109.943 169.192 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -49.44 -37.85 27.25 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 125.083 1.353 . . . . 0.0 111.365 -170.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 31.3 ptt85 -53.38 -19.9 3.93 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 178.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -29.96 -49.74 0.11 Allowed 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 126.906 2.082 . . . . 0.0 115.603 -174.108 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.03 103.16 1.11 Allowed 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 -176.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.299 3.3 p30 68.18 -36.44 0.31 Allowed 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 128.535 2.734 . . . . 0.0 115.41 173.054 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 67.61 20.67 9.59 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.986 1.714 . . . . 0.0 112.901 -177.535 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.436 ' OE2' ' NZ ' ' A' ' 31' ' ' LYS . 26.4 mm-40 -107.79 42.87 1.27 Allowed 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 105.972 -1.862 . . . . 0.0 105.972 167.429 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.4 m -62.46 158.16 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -167.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -115.48 -159.5 0.71 Allowed 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 124.982 1.313 . . . . 0.0 108.224 175.484 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -64.31 -31.92 73.31 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 118.886 -0.578 . . . . 0.0 111.437 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . 0.251 0.0 OUTLIER -62.65 -52.97 61.23 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 119.628 1.104 . . . . 0.0 113.582 -172.102 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.0 mp0 -60.54 -57.22 13.66 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 122.375 1.083 . . . . 0.0 108.632 -178.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -38.63 -60.39 0.82 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 126.049 1.74 . . . . 0.0 111.262 173.168 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 7.3 tp -72.87 -23.25 20.33 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.203 0 CA-C-O 118.634 -0.698 . . . . 0.0 112.025 -175.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 88.3 m -59.34 -56.31 23.7 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 119.884 1.22 . . . . 0.0 109.582 171.187 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -68.98 -46.12 68.89 Favored 'General case' 0 N--CA 1.458 -0.071 0 C-N-CA 120.359 -0.536 . . . . 0.0 111.743 -178.093 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.5 mt -56.69 -34.11 67.1 Favored 'General case' 0 C--O 1.224 -0.252 0 O-C-N 121.293 -0.879 . . . . 0.0 110.983 173.256 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.61 -47.56 82.43 Favored Glycine 0 CA--C 1.525 0.719 0 C-N-CA 124.167 0.889 . . . . 0.0 111.4 174.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.62 -49.52 64.95 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 117.699 0.749 . . . . 0.0 109.717 172.735 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 25.3 tp -64.05 -37.14 86.35 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 122.932 0.493 . . . . 0.0 111.57 179.126 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -48.33 -50.9 28.5 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 126.219 1.808 . . . . 0.0 112.302 -172.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 89.6 mtp -47.83 -34.0 8.12 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 125.658 1.849 . . . . 0.0 111.404 176.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 27.7 mm -90.96 -64.22 1.23 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 C-N-CA 124.488 1.115 . . . . 0.0 110.61 179.2 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . 0.272 0.2 OUTLIER -78.67 -44.49 23.57 Favored 'General case' 0 C--N 1.341 0.235 0 N-CA-C 115.704 1.742 . . . . 0.0 115.704 -166.928 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . 0.286 0.4 OUTLIER -92.12 -43.68 9.24 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 120.277 1.399 . . . . 0.0 113.323 -171.921 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 . . . . . 0 N--CA 1.448 -0.537 0 C-N-CA 123.182 0.593 . . . . 0.0 110.038 -174.165 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.197 0 CA-C-O 120.433 0.159 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 28.8 mm -62.13 -40.7 88.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 O-C-N 121.628 -0.67 . . . . 0.0 109.926 178.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.64 -44.07 16.45 Favored Glycine 0 CA--C 1.524 0.637 0 C-N-CA 125.568 1.556 . . . . 0.0 111.64 170.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.23 -62.66 1.52 Allowed 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 118.783 1.292 . . . . 0.0 108.651 175.249 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -54.65 -61.21 2.46 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.101 0.41 . . . . 0.0 111.15 -174.655 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 18.4 mt -69.59 -41.64 80.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 122.785 0.434 . . . . 0.0 110.77 -173.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.09 -63.23 3.93 Favored Glycine 0 CA--C 1.522 0.476 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -177.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 4.9 tp -54.68 -35.53 32.99 Favored 'Isoleucine or valine' 0 C--N 1.341 0.224 0 CA-C-O 119.083 -0.484 . . . . 0.0 110.636 -169.658 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -30.3 -69.92 0.06 Allowed 'General case' 0 C--N 1.343 0.311 0 C-N-CA 125.676 1.59 . . . . 0.0 112.129 175.053 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' HIS . . . . . 0.436 ' HA ' HD11 ' B' ' 29' ' ' LEU . 0.1 OUTLIER -92.07 0.79 57.47 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 -179.831 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.13 -42.9 70.02 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 120.23 1.377 . . . . 0.0 110.598 -178.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -70.54 -4.63 23.97 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -178.221 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 68.2 m -78.98 -6.81 57.22 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 118.854 0.752 . . . . 0.0 110.378 166.246 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.803 0 N-CA-C 108.127 -1.989 . . . . 0.0 108.127 -175.968 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 122.397 1.094 . . . . 0.0 111.671 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -77.69 2.56 16.44 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.108 1.363 . . . . 0.0 111.058 168.51 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 21.8 p -137.28 150.17 47.61 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 125.344 1.457 . . . . 0.0 108.903 177.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.436 HD11 ' HA ' ' B' ' 17' ' ' HIS . 10.4 mp -113.92 113.51 24.95 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 124.749 1.219 . . . . 0.0 107.731 179.404 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 40.8 p -79.75 58.21 2.74 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.432 1.093 . . . . 0.0 110.69 -177.517 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . 0.334 4.2 ptpp? 59.1 -42.87 0.07 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 130.045 3.338 . . . . 0.0 117.386 174.605 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -60.2 -45.12 94.24 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 120.541 -1.349 . . . . 0.0 109.796 178.271 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -57.92 -48.29 80.34 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 124.941 1.296 . . . . 0.0 109.445 175.68 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 13.1 tp -55.22 -51.83 65.3 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 176.191 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.84 -37.92 45.93 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 122.975 0.51 . . . . 0.0 110.284 178.402 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -73.48 -40.71 63.91 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 177.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.6 tt -57.68 -67.78 0.3 Allowed 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 126.246 1.818 . . . . 0.0 110.822 178.353 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' ILE . . . . . 0.548 ' HA ' ' HB3' ' B' ' 41' ' ' GLU . 26.7 pt -57.78 6.52 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.553 1.072 0 C-N-CA 126.744 2.017 . . . . 0.0 116.406 -167.269 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -92.81 -68.6 0.79 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 127.555 2.342 . . . . 0.0 111.93 169.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.14 33.61 0.96 Allowed 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 129.961 3.304 . . . . 0.0 109.106 178.387 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.548 ' HB3' ' HA ' ' B' ' 38' ' ' ILE . 0.1 OUTLIER -69.82 -111.42 0.0 OUTLIER 'General case' 0 N--CA 1.435 -1.212 1 N-CA-C 122.757 4.354 . . . . 0.0 122.757 -160.351 . . . . . . . . 4 4 . 1 . 018 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 47.4 mt -101.26 -60.36 1.54 Allowed 'General case' 0 N--CA 1.445 -0.725 0 C-N-CA 127.445 2.298 . . . . 0.0 114.09 -164.395 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 18.9 p -52.62 71.62 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 129.254 3.022 . . . . 0.0 116.467 -166.056 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 17.9 pt -76.7 53.78 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-O 122.683 1.23 . . . . 0.0 110.242 167.549 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.604 0 C-N-CA 125.793 1.663 . . . . 0.0 111.858 -172.329 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 20.7 t70 . . . . . 0 CA--C 1.532 0.271 0 CA-C-O 121.252 0.548 . . . . 0.0 111.918 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -56.01 -23.76 34.9 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 113.515 0.931 . . . . 0.0 113.515 -175.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 pp -60.0 -35.25 74.65 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 120.21 -1.556 . . . . 0.0 112.816 -176.417 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.4 ' OD1' ' NZ ' ' B' ' 64' ' ' LYS . 11.5 t70 -85.59 -5.11 59.31 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.495 0.665 . . . . 0.0 110.638 178.535 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.91 22.07 0.05 Allowed 'General case' 0 CA--C 1.538 0.498 0 O-C-N 119.834 -1.791 . . . . 0.0 113.323 -171.065 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 26.5 t30 -31.33 -77.54 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.527 1.531 . . . . 0.0 111.653 169.692 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 64' ' ' LYS . . . . . 0.4 ' NZ ' ' OD1' ' B' ' 61' ' ' ASP . 0.0 OUTLIER 39.63 44.79 1.29 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.658 1.183 . . . . 0.0 113.191 172.736 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -71.98 -49.88 33.55 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 106.005 -1.85 . . . . 0.0 106.005 168.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -56.37 149.09 17.35 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 168.206 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -61.24 133.19 55.66 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 172.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 12.2 t -69.79 143.12 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 CA-C-O 122.055 0.931 . . . . 0.0 110.738 -166.49 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -148.18 155.53 41.5 Favored 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 127.716 2.407 . . . . 0.0 105.15 -169.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -56.53 -33.09 65.74 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 123.277 0.361 . . . . 0.0 111.156 -172.296 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.34 -61.29 2.5 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 118.786 -0.626 . . . . 0.0 111.425 176.052 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -70.48 -33.45 71.27 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 118.879 -1.128 . . . . 0.0 110.301 -176.143 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -57.51 -54.18 49.75 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.299 0.639 . . . . 0.0 111.959 176.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 8.3 tp -68.11 -24.29 29.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -167.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 23.5 m -49.03 -54.31 16.35 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 119.623 1.102 . . . . 0.0 112.617 -176.274 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -62.07 -50.39 72.17 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 120.006 -0.678 . . . . 0.0 110.661 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 31.0 mt -51.13 -35.61 36.45 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.691 0.796 . . . . 0.0 111.699 177.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -61.25 -47.92 88.36 Favored Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 111.5 -0.64 . . . . 0.0 111.5 176.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.35 -53.62 49.75 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 174.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 21.0 tp -52.01 -41.13 61.98 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.47 1.108 . . . . 0.0 111.465 -176.196 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -48.77 -43.79 38.15 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 125.231 1.412 . . . . 0.0 112.025 177.21 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 80.1 mtp -65.7 -18.17 65.14 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.123 0.569 . . . . 0.0 111.194 -179.247 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 36.0 mt -92.51 -67.68 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 C-N-CA 124.254 1.022 . . . . 0.0 110.64 170.684 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -90.84 -17.78 25.97 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 118.151 2.649 . . . . 0.0 118.151 -165.741 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -88.76 -102.43 0.09 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 120.881 1.673 . . . . 0.0 109.506 -169.426 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 . . . . . 0 N--CA 1.452 -0.331 0 O-C-N 121.573 -0.705 . . . . 0.0 110.635 168.516 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.1 mt . . . . . 0 CA--C 1.528 0.134 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -41.59 -46.31 4.65 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 125.453 1.501 . . . . 0.0 111.999 175.374 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 65.6 tp -42.39 -50.48 5.11 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 125.203 1.401 . . . . 0.0 110.977 175.401 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.89 -27.38 66.61 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 118.59 -0.719 . . . . 0.0 111.446 -176.026 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.6 mt -70.46 -44.47 77.14 Favored 'Isoleucine or valine' 0 C--N 1.34 0.187 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 169.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.39 -52.49 23.47 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 110.3 -1.12 . . . . 0.0 110.3 174.082 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.1 mm -58.8 -63.42 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-O 118.373 -0.822 . . . . 0.0 109.845 176.106 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -32.35 -68.36 0.1 Allowed 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 125.643 1.577 . . . . 0.0 109.693 174.444 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . 0.273 0.1 OUTLIER -88.93 10.89 19.74 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -171.245 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.9 ttmt -62.67 -43.82 97.83 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 104.606 -2.368 . . . . 0.0 104.606 163.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.456 ' CZ ' ' HA ' ' A' ' 37' ' ' LEU . 63.4 m-85 -75.74 73.02 2.7 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 124.976 1.311 . . . . 0.0 109.464 177.653 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 39.7 m . . . . . 0 N--CA 1.455 -0.188 0 C-N-CA 124.692 1.197 . . . . 0.0 109.557 170.129 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.2 ptpp? . . . . . 0 N--CA 1.451 -0.413 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -86.87 -156.64 0.33 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 121.538 -0.726 . . . . 0.0 109.308 178.772 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.4 p -68.63 -168.65 0.13 Allowed 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 127.88 2.472 . . . . 0.0 109.853 174.541 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 92.3 mt -116.03 115.5 26.23 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 104.827 -2.286 . . . . 0.0 104.827 167.539 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.6 172.27 8.88 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 177.694 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -44.91 -52.94 8.15 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.18 0.592 . . . . 0.0 111.264 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -56.89 -57.35 12.89 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 119.193 -0.432 . . . . 0.0 110.228 -177.444 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -49.7 -42.33 45.5 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 119.101 -0.476 . . . . 0.0 111.648 174.363 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -65.99 -47.41 74.6 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 119.079 0.854 . . . . 0.0 110.213 -177.605 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -58.73 -44.47 90.46 Favored 'General case' 0 CA--C 1.529 0.15 0 O-C-N 120.976 -1.078 . . . . 0.0 109.338 176.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -54.72 -41.97 70.98 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 122.825 0.45 . . . . 0.0 111.141 176.049 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.456 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 6.2 tt -54.7 -27.62 41.86 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 125.833 1.653 . . . . 0.0 113.177 176.61 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.3 tt -63.9 -16.35 18.48 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 175.182 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -41.68 -85.96 0.0 OUTLIER 'General case' 0 C--N 1.345 0.38 0 C-N-CA 126.504 1.922 . . . . 0.0 111.825 176.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.7 tptp -95.18 -66.38 0.92 Allowed 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 114.781 1.4 . . . . 0.0 114.781 -167.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 48.4 mp0 -68.43 -18.82 64.52 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 -163.574 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.76 -16.96 59.33 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 118.425 -0.797 . . . . 0.0 111.738 171.304 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.7 m 38.73 44.95 0.86 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.84 1.656 . . . . 0.0 111.887 171.527 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.1 pp . . . . . 0 C--O 1.233 0.226 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -168.515 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.5 mp . . . . . 0 CA--C 1.532 0.286 0 N-CA-C 110.863 -0.051 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 57.2 mtt -58.0 -68.58 0.23 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 119.003 -0.522 . . . . 0.0 111.171 175.175 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.49 ' C ' ' H ' ' A' ' 60' ' ' LEU . 12.1 t70 -71.17 -16.8 62.55 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 -168.11 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.34 32.66 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 163.213 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.49 ' H ' ' C ' ' A' ' 58' ' ' ASP . 45.7 tp -52.02 -26.15 10.12 Favored 'General case' 0 C--N 1.344 0.335 0 C-N-CA 129.022 2.929 . . . . 0.0 112.686 -169.642 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -45.58 -30.43 1.48 Allowed 'General case' 0 C--O 1.236 0.375 0 C-N-CA 124.508 1.123 . . . . 0.0 110.998 167.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.2 ttp85 -33.51 -38.02 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.523 1.929 . . . . 0.0 112.891 167.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -38.71 -40.62 0.62 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.677 1.591 . . . . 0.0 114.503 -179.064 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -127.06 44.77 2.84 Favored 'General case' 0 CA--C 1.529 0.136 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.2 t0 40.92 55.33 3.11 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 125.219 1.408 . . . . 0.0 112.579 -170.148 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 74.35 -24.68 0.21 Allowed 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 116.554 2.057 . . . . 0.0 116.554 163.093 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.72 114.76 5.24 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 167.657 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 t -122.23 143.91 33.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 C-N-CA 124.433 1.093 . . . . 0.0 113.346 -167.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -106.25 175.07 5.62 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.452 1.501 . . . . 0.0 110.774 168.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -50.0 -52.24 35.49 Favored 'General case' 0 C--N 1.344 0.329 0 C-N-CA 122.791 0.436 . . . . 0.0 110.769 -178.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.1 tm0? -55.72 -52.1 65.07 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 -173.353 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -57.76 -56.0 27.6 Favored 'General case' 0 C--O 1.233 0.195 0 O-C-N 122.074 -0.391 . . . . 0.0 111.521 177.468 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -44.5 -57.83 3.35 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 123.994 0.918 . . . . 0.0 109.255 178.203 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.5 tp -75.03 -24.93 18.08 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.998 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.569 -170.139 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 93.7 m -63.71 -44.17 94.41 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 119.609 1.095 . . . . 0.0 109.403 169.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.18 -49.9 75.43 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 119.115 -0.469 . . . . 0.0 110.603 178.14 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.8 mp -56.31 -51.6 67.62 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 119.845 -0.742 . . . . 0.0 109.656 168.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -40.23 -51.49 3.58 Favored Glycine 0 C--N 1.336 0.528 0 C-N-CA 128.055 2.741 . . . . 0.0 112.851 -178.502 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.84 -37.36 68.6 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 117.477 0.638 . . . . 0.0 112.015 -177.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 73.7 mt -90.81 -25.02 20.13 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.806 0.842 . . . . 0.0 111.724 179.062 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -37.18 -59.3 0.74 Allowed 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 126.757 2.023 . . . . 0.0 114.688 -167.422 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 2.6 mtp -67.21 -14.61 63.07 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 119.913 -0.715 . . . . 0.0 112.783 -172.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 42.7 mm -91.33 -67.81 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 C-N-CA 124.399 1.08 . . . . 0.0 109.803 169.429 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.409 ' O ' ' CG ' ' A' ' 84' ' ' TYR 0.27 0.0 OUTLIER -78.32 30.89 0.18 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.088 1.755 . . . . 0.0 114.211 -168.876 . . . . . . . . 4 4 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -20.09 -4.32 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.752 2 N-CA-C 125.31 5.3 . . . . 0.0 125.31 -160.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 . . . . . 0 CA--C 1.537 0.469 0 CA-C-N 123.43 2.832 . . . . 0.0 106.367 164.983 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.449 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 5.1 mm -51.43 -51.71 23.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 171.714 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.71 -55.35 9.72 Favored Glycine 0 CA--C 1.529 0.957 0 C-N-CA 123.852 0.739 . . . . 0.0 111.561 170.608 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 85.7 mt -55.84 -44.8 78.33 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.324 1.062 . . . . 0.0 112.52 -177.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.32 -31.02 63.75 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 119.781 1.173 . . . . 0.0 112.228 -169.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 4.3 tt -77.51 -37.82 25.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 118.862 0.755 . . . . 0.0 109.702 168.64 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -44.15 -66.13 1.43 Allowed Glycine 0 CA--C 1.528 0.847 0 C-N-CA 125.661 1.6 . . . . 0.0 111.183 173.325 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 87.2 mt -54.06 -63.3 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 125.602 1.561 . . . . 0.0 109.16 178.637 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' PHE . . . . . 0.504 ' CE1' ' CE1' ' B' ' 17' ' ' HIS . 15.4 t80 -29.79 -53.79 0.15 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.654 1.982 . . . . 0.0 113.188 172.188 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 17' ' ' HIS . . . . . 0.504 ' CE1' ' CE1' ' B' ' 16' ' ' PHE . 1.3 m-70 -84.3 -47.2 11.0 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 119.716 1.144 . . . . 0.0 113.56 178.332 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -52.96 -30.23 33.56 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 124.757 1.223 . . . . 0.0 112.041 -179.049 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -60.26 -32.87 71.57 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 118.125 -0.94 . . . . 0.0 111.706 177.003 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 72.1 m -79.55 22.27 0.46 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.744 0.818 . . . . 0.0 112.576 170.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.154 0 N-CA-C 110.176 -1.17 . . . . 0.0 110.176 168.863 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 1.3 ptpp? . . . . . 0 N--CA 1.447 -0.594 0 CA-C-O 119.739 -0.172 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 14.2 p80 -104.65 -21.25 13.43 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.927 0.891 . . . . 0.0 111.1 -177.579 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -131.38 -177.23 4.31 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 126.339 1.855 . . . . 0.0 110.257 -178.623 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -116.43 124.44 50.01 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 106.118 -1.808 . . . . 0.0 106.118 169.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 69.4 m -80.61 70.27 7.29 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 124.891 1.276 . . . . 0.0 114.346 -166.264 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.419 ' HG2' ' H ' ' B' ' 32' ' ' LYS 0.261 0.0 OUTLIER 27.62 -68.97 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 129.119 2.968 . . . . 0.0 116.87 168.445 . . . . . . . . 4 4 . 1 . 019 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.419 ' H ' ' HG2' ' B' ' 31' ' ' LYS . 3.7 ttpm? -50.51 -43.42 55.78 Favored 'General case' 0 N--CA 1.455 -0.189 0 O-C-N 120.784 -1.198 . . . . 0.0 110.15 174.274 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -66.29 -26.47 67.34 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 122.018 -0.426 . . . . 0.0 111.731 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.534 HD11 ' CE2' ' B' ' 76' ' ' PHE . 2.3 tm? -56.91 -35.56 69.15 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 171.486 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 46.2 mttm -68.0 -22.77 64.98 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 122.797 0.439 . . . . 0.0 111.437 179.184 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -76.1 -57.96 3.56 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 169.019 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -47.14 -49.09 22.9 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 127.226 2.21 . . . . 0.0 110.868 -173.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 3.2 tt -59.43 -51.97 66.4 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.15 0 C-N-CA 123.444 0.698 . . . . 0.0 111.29 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -65.02 -41.88 94.89 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -174.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -90.9 -97.64 0.11 Allowed 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 123.04 0.536 . . . . 0.0 111.738 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 27.7 mp0 -47.41 -41.91 21.05 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 126.446 1.899 . . . . 0.0 114.464 -167.15 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 21.0 mt -69.9 28.05 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 116.0 1.852 . . . . 0.0 116.0 -174.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 2.2 m 89.18 -19.56 0.18 Allowed 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 124.438 1.095 . . . . 0.0 112.401 169.543 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 18.3 mt -58.85 -44.06 89.72 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 168.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.93 0 C-N-CA 123.919 0.771 . . . . 0.0 111.537 177.414 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 58' ' ' ASP . . . . . 0.533 ' C ' ' H ' ' B' ' 60' ' ' LEU . 2.5 m-20 . . . . . 0 N--CA 1.469 0.524 0 N-CA-C 115.687 1.736 . . . . 0.0 115.687 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -66.55 29.68 0.02 OUTLIER 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 129.028 2.931 . . . . 0.0 109.274 162.118 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.533 ' H ' ' C ' ' B' ' 58' ' ' ASP . 46.6 tp -47.38 -18.68 0.12 Allowed 'General case' 0 C--N 1.345 0.395 1 C-N-CA 133.245 4.618 . . . . 0.0 113.658 -168.052 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -46.8 -28.1 1.43 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 121.201 0.524 . . . . 0.0 111.066 167.608 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -62.29 5.15 0.11 Allowed 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 115.637 1.717 . . . . 0.0 115.637 173.348 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -62.99 25.28 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 116.467 2.025 . . . . 0.0 116.467 -172.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 73.67 -60.2 0.54 Allowed 'General case' 0 C--O 1.234 0.245 0 C-N-CA 126.673 1.989 . . . . 0.0 110.641 -177.696 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -78.47 59.9 2.5 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 125.474 1.509 . . . . 0.0 108.781 178.397 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -66.52 -175.02 0.34 Allowed 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 126.886 2.074 . . . . 0.0 111.172 178.45 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 62.06 55.67 2.45 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 104.689 -2.337 . . . . 0.0 104.689 -167.178 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 11.7 m -59.8 143.07 14.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-N 114.672 -1.149 . . . . 0.0 113.855 -166.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -88.27 166.67 14.16 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.436 1.094 . . . . 0.0 109.492 171.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -47.68 -38.17 14.5 Favored 'General case' 0 C--O 1.222 -0.358 0 C-N-CA 123.627 0.771 . . . . 0.0 111.217 171.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -44.71 -57.26 3.8 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.614 0.765 . . . . 0.0 111.127 169.411 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.31 -47.09 68.51 Favored 'General case' 0 CA--C 1.531 0.212 0 O-C-N 120.874 -1.141 . . . . 0.0 109.529 -175.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -47.02 -52.78 14.04 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.757 0.823 . . . . 0.0 111.318 176.535 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 10.4 tp -71.32 -40.98 74.12 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 O-C-N 122.231 -0.293 . . . . 0.0 110.68 -171.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 34.3 p -66.59 -46.91 74.41 Favored 'General case' 0 CA--C 1.51 -0.568 0 O-C-N 121.517 -0.739 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.534 ' CE2' HD11 ' B' ' 34' ' ' LEU . 6.2 t80 -48.86 -53.92 17.41 Favored 'General case' 0 N--CA 1.44 -0.927 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.695 168.774 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 5.3 mt -54.98 -38.58 68.01 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 118.248 0.477 . . . . 0.0 112.158 174.682 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.81 -51.04 61.42 Favored Glycine 0 CA--C 1.527 0.842 0 O-C-N 121.768 -0.582 . . . . 0.0 112.063 173.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.29 -50.35 71.65 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 122.752 0.421 . . . . 0.0 110.302 175.24 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 73.0 mt -52.13 -50.71 61.17 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-O 119.16 -0.448 . . . . 0.0 110.353 174.683 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.61 -55.74 26.28 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.326 0.651 . . . . 0.0 110.377 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 37.5 mmm -48.34 -37.31 16.32 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.073 0.549 . . . . 0.0 111.375 175.439 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 73.2 mt -78.39 -80.31 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 C-N-CA 123.112 0.565 . . . . 0.0 111.372 175.093 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . 0.282 0.0 OUTLIER -69.55 -21.54 63.62 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 120.808 -1.182 . . . . 0.0 114.11 -168.599 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.37 24.22 4.04 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.049 1.34 . . . . 0.0 111.005 172.717 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.538 0.505 0 C-N-CA 130.119 3.368 . . . . 0.0 117.22 -173.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 61.3 mt . . . . . 0 C--O 1.234 0.289 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.67 -45.77 92.94 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.544 -1.023 . . . . 0.0 110.544 178.329 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 80.9 mt -57.98 -53.35 59.2 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-O 117.869 -1.062 . . . . 0.0 111.541 -177.475 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -49.59 -51.07 39.85 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 120.977 1.717 . . . . 0.0 110.848 178.025 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 86.5 mt -57.06 -54.28 32.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 CA-C-N 118.617 0.644 . . . . 0.0 111.415 175.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.83 -58.74 12.94 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 -176.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 75.0 mt -47.27 -58.97 0.77 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.513 0 C-N-CA 126.363 1.865 . . . . 0.0 108.794 173.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -40.91 -60.54 1.16 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.382 1.073 . . . . 0.0 111.854 173.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -70.1 -35.59 74.26 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 120.955 -1.091 . . . . 0.0 113.137 -175.639 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.5 tptp -65.35 -38.79 91.17 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 121.397 -0.814 . . . . 0.0 110.75 176.226 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -78.77 -21.05 48.46 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 124.35 1.06 . . . . 0.0 109.232 -178.135 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.8 p . . . . . 0 C--N 1.34 0.179 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 163.045 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.236 0.378 0 CA-C-O 122.566 1.174 . . . . 0.0 111.044 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -133.78 179.12 6.43 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 105.11 -2.182 . . . . 0.0 105.11 167.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.8 p 56.69 106.04 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.353 1.461 . . . . 0.0 112.13 -176.055 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.444 HD11 ' CD1' ' A' ' 37' ' ' LEU . 3.0 tt -65.77 130.97 45.15 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 128.071 2.548 . . . . 0.0 110.484 -169.777 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.3 m -70.96 122.64 20.36 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 121.604 0.716 . . . . 0.0 110.108 -178.192 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -31.52 55.6 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.285 1.434 . . . . 0.0 114.103 -174.164 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.429 ' NZ ' ' OE2' ' A' ' 33' ' ' GLU . 9.1 ttpp -67.03 -60.45 2.62 Favored 'General case' 0 CA--C 1.528 0.113 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 174.458 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.429 ' OE2' ' NZ ' ' A' ' 32' ' ' LYS . 14.8 mp0 -48.53 -42.31 32.86 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.888 1.275 . . . . 0.0 109.984 177.664 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.8 tp -47.05 -44.38 20.75 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.786 -0.571 . . . . 0.0 112.283 174.469 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.5 tptt -62.47 -34.29 76.54 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 118.409 0.55 . . . . 0.0 110.944 -176.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 68.9 tt0 -64.49 -52.61 57.03 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 171.15 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.444 ' CD1' HD11 ' A' ' 29' ' ' LEU . 1.5 tt -48.52 -55.46 10.97 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 125.733 1.613 . . . . 0.0 111.35 -174.488 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.21 -45.25 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.026 0 O-C-N 122.126 -0.359 . . . . 0.0 111.1 -177.18 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -63.33 -53.47 52.16 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 119.186 -0.435 . . . . 0.0 110.617 -177.459 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . 0.252 0.0 OUTLIER -92.02 -84.88 0.26 Allowed 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 179.139 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.4 mp0 -46.45 -45.2 18.02 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 115.878 1.807 . . . . 0.0 115.878 -168.37 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.0 mt -62.13 -16.14 50.52 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 120.25 1.386 . . . . 0.0 112.575 -179.144 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 15.4 m 62.18 57.73 1.95 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.963 0.801 . . . . 0.0 110.946 169.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.8 mm . . . . . 0 C--O 1.236 0.356 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 169.16 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 62.5 tp . . . . . 0 CA--C 1.53 0.211 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 28.2 ttt -72.42 -43.74 63.43 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 122.981 0.512 . . . . 0.0 111.201 -172.151 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 45.8 p-10 -35.12 -52.26 0.57 Allowed 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 127.243 2.217 . . . . 0.0 114.203 -173.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -51.49 -19.87 1.62 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.113 1.365 . . . . 0.0 113.309 -176.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.5 tt -41.85 -41.34 2.37 Favored 'General case' 0 C--O 1.231 0.129 0 C-N-CA 125.6 1.56 . . . . 0.0 111.263 169.57 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -52.88 -45.55 67.54 Favored 'General case' 0 C--O 1.227 -0.127 0 O-C-N 122.179 -0.326 . . . . 0.0 110.793 177.504 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.81 23.0 3.3 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.447 0.699 . . . . 0.0 112.412 178.45 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -26.14 -85.0 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 127.028 2.131 . . . . 0.0 113.552 -169.246 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.45 44.65 1.14 Allowed 'General case' 0 C--O 1.233 0.225 0 CA-C-N 120.028 1.285 . . . . 0.0 112.16 -177.492 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 61.08 27.93 17.71 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 123.916 0.886 . . . . 0.0 111.094 168.161 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 10.0 pm0 -74.32 161.77 29.55 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 122.937 0.495 . . . . 0.0 109.761 178.432 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.33 95.45 6.36 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 106.507 -1.664 . . . . 0.0 106.507 177.283 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.1 t -61.51 114.61 1.34 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 C-N-CA 124.985 1.314 . . . . 0.0 111.995 -167.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -73.36 157.93 36.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 120.961 -1.087 . . . . 0.0 110.284 178.47 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -50.81 -35.9 34.53 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 119.065 -0.493 . . . . 0.0 109.791 170.407 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -52.55 -56.17 17.14 Favored 'General case' 0 C--N 1.342 0.265 0 CA-C-N 118.79 0.723 . . . . 0.0 111.692 171.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -63.24 -54.63 34.25 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 -174.684 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -41.54 -51.38 3.92 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.148 1.379 . . . . 0.0 110.593 170.72 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -64.03 -46.82 92.79 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 C-N-CA 122.756 0.423 . . . . 0.0 111.414 178.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 54.7 m -58.19 -46.79 85.16 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -175.752 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -56.39 -62.76 1.5 Allowed 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 125.494 1.517 . . . . 0.0 112.106 173.604 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.59 -37.06 70.1 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 122.41 1.1 . . . . 0.0 109.013 -177.04 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.66 -30.73 21.28 Favored Glycine 0 CA--C 1.528 0.885 0 C-N-CA 127.56 2.505 . . . . 0.0 113.738 172.096 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.33 -25.82 67.39 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 120.694 2.247 . . . . 0.0 112.694 175.297 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -89.76 1.31 56.27 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.658 0.783 . . . . 0.0 110.751 175.079 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -44.77 -76.02 0.03 OUTLIER 'General case' 0 CA--C 1.512 -0.502 0 C-N-CA 125.421 1.488 . . . . 0.0 113.951 -168.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 92.5 mtp -64.53 -11.74 37.39 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 119.655 -0.818 . . . . 0.0 112.725 -168.252 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 59.1 mt -77.75 -64.52 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 169.36 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . 0.356 0.0 OUTLIER -90.59 26.91 1.87 Allowed 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 114.755 1.391 . . . . 0.0 114.755 -177.67 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.416 HD22 ' C ' ' A' ' 85' ' ' ASN . 0.3 OUTLIER -28.12 -56.96 0.12 Allowed 'General case' 0 CA--C 1.52 -0.201 0 C-N-CA 127.984 2.514 . . . . 0.0 115.749 -167.558 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.3 pm0 . . . . . 0 C--N 1.319 -0.757 0 C-N-CA 125.731 1.612 . . . . 0.0 114.079 -178.245 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.21 0 N-CA-C 110.727 -0.101 . . . . 0.0 110.727 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 83.2 mt -53.29 -52.0 35.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 C-N-CA 123.934 0.894 . . . . 0.0 109.294 175.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.75 -46.49 13.45 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 123.852 0.739 . . . . 0.0 111.564 174.314 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 49.7 tp -68.0 -13.26 62.04 Favored 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 121.542 -0.975 . . . . 0.0 113.112 -175.78 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 mp -89.32 -71.1 0.62 Allowed 'General case' 0 N--CA 1.449 -0.517 0 O-C-N 121.136 -0.978 . . . . 0.0 108.624 167.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.455 HD13 HG21 ' B' ' 13' ' ' ILE . 0.1 OUTLIER -89.4 -33.73 6.33 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.579 0 CA-C-N 114.408 -1.269 . . . . 0.0 112.285 -164.562 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.03 -52.13 52.2 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 108.025 -2.03 . . . . 0.0 108.025 176.254 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 2.6 tt -64.87 -45.48 94.76 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.453 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' PHE . . . . . 0.596 ' CE1' ' CE1' ' B' ' 17' ' ' HIS . 0.2 OUTLIER -40.01 -72.71 0.06 Allowed 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 119.503 1.047 . . . . 0.0 109.19 168.246 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 17' ' ' HIS . . . . . 0.596 ' CE1' ' CE1' ' B' ' 16' ' ' PHE 0.286 26.6 m-70 -82.15 20.01 1.09 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 118.472 -1.291 . . . . 0.0 112.072 -169.281 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -64.07 -43.2 96.19 Favored 'General case' 0 C--N 1.342 0.281 0 N-CA-C 104.046 -2.575 . . . . 0.0 104.046 162.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' TYR . . . . . 0.52 ' CD2' HD12 ' B' ' 37' ' ' LEU . 86.0 m-85 -77.62 61.36 2.34 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 125.463 1.505 . . . . 0.0 112.897 -168.714 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.8 p -108.19 -34.36 6.87 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 127.445 2.298 . . . . 0.0 106.911 166.631 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.769 0 C-N-CA 124.322 0.963 . . . . 0.0 110.967 171.745 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt . . . . . 0 CA--C 1.534 0.347 0 N-CA-C 110.755 -0.091 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -161.33 -141.89 0.07 Allowed 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.547 0.739 . . . . 0.0 109.698 178.377 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 5.2 p -52.43 158.58 1.19 Allowed 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 125.791 1.637 . . . . 0.0 110.982 171.441 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.455 ' H ' HD12 ' B' ' 29' ' ' LEU . 4.2 mp -80.23 95.96 6.45 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 106.002 -1.851 . . . . 0.0 106.002 169.387 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 29.4 m -74.51 65.85 1.32 Allowed 'General case' 0 C--O 1.238 0.498 0 N-CA-C 114.487 1.291 . . . . 0.0 114.487 -168.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 3.1 mttm 66.54 -71.24 0.09 Allowed 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 127.037 2.135 . . . . 0.0 111.619 174.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 17.0 mtmm -56.27 -53.64 54.87 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 124.514 1.126 . . . . 0.0 108.89 -172.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 21.6 mp0 -61.88 -32.68 73.07 Favored 'General case' 0 N--CA 1.438 -1.062 0 C-N-CA 125.493 1.517 . . . . 0.0 109.748 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 12.3 tp -66.86 -46.03 76.29 Favored 'General case' 0 C--N 1.341 0.209 0 O-C-N 120.706 -1.246 . . . . 0.0 109.82 173.095 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 43.7 mmtt -62.96 -22.35 66.75 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 119.969 -0.693 . . . . 0.0 110.729 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -65.06 -55.72 17.24 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 166.455 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.52 HD12 ' CD2' ' B' ' 19' ' ' TYR . 8.2 tt -47.9 -52.16 20.45 Favored 'General case' 0 CA--C 1.513 -0.476 0 C-N-CA 125.657 1.583 . . . . 0.0 111.673 -175.068 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 15.4 pt -52.98 -34.24 20.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 O-C-N 123.63 0.581 . . . . 0.0 112.253 -171.027 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 12.2 tp-100 -64.42 -28.27 69.57 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.912 -0.492 . . . . 0.0 111.544 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -90.83 -76.24 0.44 Allowed 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 124.265 1.026 . . . . 0.0 112.616 -173.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . 0.294 12.0 pt-20 -92.59 -82.4 0.33 Allowed 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 116.915 2.191 . . . . 0.0 116.915 -167.158 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.622 HD12 ' H ' ' B' ' 43' ' ' THR 0.448 1.7 pp -29.16 -94.93 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 118.331 2.715 . . . . 0.0 118.331 -162.781 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 43' ' ' THR . . . . . 0.622 ' H ' HD12 ' B' ' 42' ' ' LEU . 14.9 p -75.5 63.92 1.55 Allowed 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 120.351 1.432 . . . . 0.0 110.144 -174.04 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . 0.3 7.5 tt 38.35 59.3 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 CA-C-O 123.824 1.773 . . . . 0.0 110.079 -168.373 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.764 0 C-N-CA 127.197 2.332 . . . . 0.0 113.452 -175.821 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 58' ' ' ASP . . . . . 0.52 ' C ' ' H ' ' B' ' 60' ' ' LEU . 36.8 t70 . . . . . 0 N--CA 1.463 0.215 0 N-CA-C 116.022 1.86 . . . . 0.0 116.022 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -68.58 26.35 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 161.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.52 ' H ' ' C ' ' B' ' 58' ' ' ASP . 3.6 pp -64.17 -5.97 5.82 Favored 'General case' 0 C--N 1.346 0.445 0 C-N-CA 126.471 1.908 . . . . 0.0 112.681 -168.798 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -52.77 -24.57 9.1 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 121.965 0.888 . . . . 0.0 109.959 163.645 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 30.9 ttm180 -48.55 -21.19 0.53 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.973 2.109 . . . . 0.0 112.456 167.691 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -27.77 -54.0 0.09 Allowed 'General case' 0 C--N 1.34 0.153 0 C-N-CA 129.503 3.121 . . . . 0.0 113.386 175.734 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 18.4 pttm -134.71 -49.64 0.77 Allowed 'General case' 0 CA--C 1.537 0.469 0 O-C-N 123.195 0.31 . . . . 0.0 111.441 -175.373 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 50.2 p30 -159.47 0.09 0.08 Allowed 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 -168.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 61.63 12.56 4.63 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 -171.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -86.79 79.25 8.88 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 105.843 -1.91 . . . . 0.0 105.843 168.355 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 55.9 t -66.69 127.55 28.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.295 -169.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -98.78 174.47 6.38 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.832 1.253 . . . . 0.0 108.988 168.107 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -50.52 -47.52 57.46 Favored 'General case' 0 C--N 1.341 0.208 0 CA-C-O 119.3 -0.381 . . . . 0.0 111.869 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -51.73 64.6 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.255 0.55 . . . . 0.0 110.005 -175.752 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -60.33 -52.4 65.44 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.56 0.744 . . . . 0.0 110.145 179.489 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -47.89 -60.83 2.3 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 124.531 1.132 . . . . 0.0 110.413 177.427 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 10.3 tp -64.45 -43.1 96.93 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 -174.331 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 29.2 m -51.92 -59.08 4.74 Favored 'General case' 0 C--N 1.34 0.192 0 C-N-CA 122.712 0.405 . . . . 0.0 110.569 178.022 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -72.1 -37.47 69.53 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 119.61 -0.836 . . . . 0.0 111.553 -173.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . 0.255 0.4 OUTLIER -54.75 -34.41 62.51 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 119.502 -0.879 . . . . 0.0 111.216 171.076 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.14 -37.25 16.74 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 124.63 1.109 . . . . 0.0 114.239 169.581 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -41.74 -67.29 0.27 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 119.043 1.422 . . . . 0.0 114.233 -169.342 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 19.2 mt -90.12 5.05 48.5 Favored 'General case' 0 C--N 1.333 -0.139 0 O-C-N 122.13 -0.357 . . . . 0.0 111.861 179.031 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.76 -46.33 70.91 Favored 'General case' 0 CA--C 1.516 -0.344 0 C-N-CA 123.507 0.723 . . . . 0.0 110.818 -172.16 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 29.7 ttp -58.95 -31.29 68.57 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.648 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 27.8 mm -79.69 -57.09 5.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 C-N-CA 123.998 0.919 . . . . 0.0 108.989 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -75.72 22.57 0.14 Allowed 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 118.272 -0.871 . . . . 0.0 112.838 -176.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -16.82 -101.68 0.0 OUTLIER 'General case' 0 C--O 1.235 0.31 0 C-N-CA 126.444 1.897 . . . . 0.0 114.812 -157.182 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . 0.261 7.1 tp10 . . . . . 0 N--CA 1.45 -0.451 0 CA-C-N 120.938 1.699 . . . . 0.0 110.022 -169.21 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.4 mm . . . . . 0 CA--C 1.538 0.488 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.63 -50.46 36.53 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 169.96 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 88.2 mt -57.18 -44.78 83.89 Favored 'General case' 0 CA--C 1.531 0.218 0 O-C-N 121.622 -0.928 . . . . 0.0 110.729 175.743 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.6 -43.93 93.57 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.838 1.199 . . . . 0.0 111.777 177.165 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.0 mm -56.34 -43.42 77.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 172.049 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -52.62 -63.13 5.2 Favored Glycine 0 CA--C 1.528 0.877 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 173.014 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.9 mm -45.87 -49.43 4.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 C-N-CA 124.62 1.168 . . . . 0.0 110.626 -176.574 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.402 ' CZ ' ' CE1' ' A' ' 17' ' ' HIS . 35.7 t80 -53.45 -81.56 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 127.025 2.13 . . . . 0.0 110.835 169.439 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.402 ' CE1' ' CZ ' ' A' ' 16' ' ' PHE . 1.9 m-70 -72.2 5.87 2.55 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 115.723 1.749 . . . . 0.0 115.723 -169.608 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -61.89 -41.21 97.61 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 165.196 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -74.15 157.47 35.92 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.583 -178.974 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 72.9 m . . . . . 0 CA--C 1.538 0.482 0 CA-C-O 121.474 0.654 . . . . 0.0 110.056 -169.217 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? . . . . . 0 CA--C 1.538 0.502 0 CA-C-O 119.395 -0.336 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -156.0 -111.08 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 119.328 0.967 . . . . 0.0 112.44 -166.983 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.3 p -95.41 144.86 25.58 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 126.485 1.914 . . . . 0.0 109.369 173.005 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.3 tt -73.92 128.36 35.32 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 126.488 1.915 . . . . 0.0 107.673 176.417 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.0 m -77.61 68.64 3.73 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 114.549 1.315 . . . . 0.0 114.549 -168.473 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp 42.53 -74.91 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 128.25 2.62 . . . . 0.0 115.818 165.337 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -25.43 61.36 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.468 1.107 . . . . 0.0 111.283 175.066 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -73.87 -22.28 59.79 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.115 -0.991 . . . . 0.0 112.13 172.469 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.4 ' O ' HD13 ' A' ' 34' ' ' LEU . 0.5 OUTLIER -65.14 -33.93 77.19 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.416 -0.803 . . . . 0.0 109.416 177.607 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.6 mmtm -52.12 -50.14 62.29 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.939 -0.476 . . . . 0.0 112.107 177.531 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 23.6 mp0 -52.58 -55.93 18.84 Favored 'General case' 0 N--CA 1.451 -0.407 0 O-C-N 121.816 -0.553 . . . . 0.0 111.627 171.477 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.86 -61.93 1.71 Allowed 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 124.271 1.028 . . . . 0.0 110.416 -177.141 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.1 tp -60.29 -47.12 93.6 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 123.413 0.685 . . . . 0.0 111.584 -169.42 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -63.0 -53.01 60.66 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 178.375 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.0 mtmp? -78.51 -71.08 0.45 Allowed 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 113.809 1.041 . . . . 0.0 113.809 -168.731 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -84.45 -99.51 0.06 Allowed 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 -167.38 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . 0.305 3.3 pp -30.71 -52.4 0.17 Allowed 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 116.846 2.165 . . . . 0.0 116.846 -164.873 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.2 p -59.11 105.38 0.32 Allowed 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.068 0.547 . . . . 0.0 111.959 -168.896 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.9 pt . . . . . 0 CA--C 1.534 0.354 0 C-N-CA 124.472 1.109 . . . . 0.0 112.573 -171.506 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.0 tp . . . . . 0 CA--C 1.536 0.437 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 53.4 ttp -63.7 -60.14 3.69 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 168.537 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.416 ' C ' ' H ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -57.34 -23.75 50.86 Favored 'General case' 0 CA--C 1.52 -0.177 0 C-N-CA 126.938 2.095 . . . . 0.0 113.238 -179.728 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -63.48 9.25 0.06 Allowed 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 122.952 0.501 . . . . 0.0 111.312 167.014 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.416 ' H ' ' C ' ' A' ' 58' ' ' ASP . 1.6 tm? -37.13 -34.61 0.08 Allowed 'General case' 0 C--N 1.347 0.461 1 C-N-CA 132.282 4.233 . . . . 0.0 110.336 163.86 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -34.17 -29.43 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 127.184 2.194 . . . . 0.0 112.76 166.41 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.3 mtm105 -43.41 -21.16 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 168.305 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -28.56 -49.34 0.07 Allowed 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 127.803 2.441 . . . . 0.0 112.995 169.909 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? -130.13 67.46 1.47 Allowed 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 168.819 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.277 3.1 p-10 28.32 47.86 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 128.211 2.604 . . . . 0.0 114.189 173.792 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 55.04 30.32 14.02 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 126.328 1.851 . . . . 0.0 112.921 173.48 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.63 59.29 1.95 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.982 1.313 . . . . 0.0 107.925 175.321 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 53.1 t -84.9 132.12 32.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 N-CA-C 113.296 0.851 . . . . 0.0 113.296 -166.091 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -120.42 178.72 4.55 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 105.105 -2.183 . . . . 0.0 105.105 164.757 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -54.04 -41.27 67.9 Favored 'General case' 0 CA--C 1.53 0.207 0 O-C-N 121.301 -0.874 . . . . 0.0 111.0 -173.88 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.42 -52.44 64.64 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 119.379 -0.343 . . . . 0.0 110.487 178.434 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -64.29 -47.45 79.45 Favored 'General case' 0 CA--C 1.522 -0.125 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 -174.745 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -48.47 -61.41 2.03 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.023 0.929 . . . . 0.0 109.443 175.625 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.7 tp -68.32 -40.76 82.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-O 119.37 -0.347 . . . . 0.0 110.577 -172.655 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.5 m -49.85 -60.31 3.02 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 124.37 1.068 . . . . 0.0 109.886 173.638 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . 0.254 0.1 OUTLIER -60.56 -44.05 96.58 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.064 -177.064 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -46.61 -51.49 15.65 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 118.904 0.775 . . . . 0.0 111.075 170.551 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.59 -53.88 41.62 Favored Glycine 0 CA--C 1.525 0.719 0 C-N-CA 124.384 0.992 . . . . 0.0 111.122 -179.922 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.9 -53.28 57.51 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.055 0.542 . . . . 0.0 110.784 179.476 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.7 mp -54.94 -49.56 71.04 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.542 0.737 . . . . 0.0 110.58 177.212 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.53 -44.47 76.71 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 122.862 0.465 . . . . 0.0 110.194 178.473 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 7.8 ttt -56.9 -22.45 37.39 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 177.642 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 41.4 mm -90.81 -74.43 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 123.718 0.807 . . . . 0.0 109.876 169.266 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . 0.252 1.2 p90 -62.7 -26.76 68.83 Favored 'General case' 0 CA--C 1.536 0.426 0 O-C-N 120.938 -1.101 . . . . 0.0 113.76 -168.637 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -91.54 27.52 1.97 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.011 1.724 . . . . 0.0 111.47 174.528 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 . . . . . 0 C--N 1.345 0.395 0 C-N-CA 129.668 3.187 . . . . 0.0 116.297 -167.883 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.109 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 72.6 mt -55.7 -53.72 34.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 176.478 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.05 -51.33 25.41 Favored Glycine 0 CA--C 1.528 0.863 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 176.683 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 81.3 mt -63.0 -43.86 97.61 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 118.753 -0.641 . . . . 0.0 111.083 -179.417 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 48.5 mt -57.98 -46.65 84.84 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 120.01 1.277 . . . . 0.0 110.872 177.688 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 67.5 mt -61.74 -41.33 90.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 175.61 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.4 -61.37 7.06 Favored Glycine 0 CA--C 1.526 0.737 0 C-N-CA 124.262 0.934 . . . . 0.0 110.843 174.537 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 20.6 mm -57.26 -35.23 47.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 118.088 0.944 . . . . 0.0 110.718 -179.435 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -58.26 -82.87 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.747 0.703 . . . . 0.0 109.137 168.211 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . 0.318 0.5 OUTLIER -70.46 -5.79 31.17 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 116.53 2.048 . . . . 0.0 116.53 -168.343 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -57.42 -39.89 77.16 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 119.715 1.143 . . . . 0.0 108.555 167.435 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -83.52 58.96 4.83 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 122.347 1.07 . . . . 0.0 110.389 175.384 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.3 m -138.03 53.97 1.81 Allowed 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 104.025 -2.583 . . . . 0.0 104.025 168.65 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.586 0 N-CA-C 109.979 -1.248 . . . . 0.0 109.979 -168.211 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 9.1 pttm . . . . . 0 CA--C 1.537 0.476 0 N-CA-C 116.547 2.054 . . . . 0.0 116.547 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 6.0 p80 179.32 -45.3 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 125.185 1.394 . . . . 0.0 111.25 -175.858 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 34.6 p -137.43 152.59 49.76 Favored 'General case' 0 C--N 1.34 0.177 0 CA-C-N 118.797 0.726 . . . . 0.0 112.72 -168.765 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 27.0 mt -83.88 111.44 19.23 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 105.437 -2.06 . . . . 0.0 105.437 168.288 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 57.6 p -84.98 81.83 8.72 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -168.153 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 17.4 mttm 64.54 -77.1 0.04 OUTLIER 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 125.619 1.567 . . . . 0.0 115.022 167.881 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.492 ' H ' ' HD3' ' B' ' 32' ' ' LYS . 0.0 OUTLIER -67.56 -42.33 82.78 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 -176.36 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -53.58 -39.0 64.48 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 172.67 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -68.34 -59.25 3.33 Favored 'General case' 0 C--N 1.343 0.318 0 O-C-N 121.224 -0.923 . . . . 0.0 108.949 177.796 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 35' ' ' LYS . . . . . 0.433 ' HZ3' ' CG ' ' B' ' 61' ' ' ASP . 2.4 tppt? -60.85 -27.38 68.05 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.523 -0.735 . . . . 0.0 111.572 -171.918 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -54.22 -47.46 72.14 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 119.267 0.94 . . . . 0.0 111.64 168.612 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.7 tt -55.59 -63.38 1.19 Allowed 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 126.138 1.775 . . . . 0.0 110.154 -176.426 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . 0.255 1.4 pp -33.4 -46.97 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.187 0 C-N-CA 125.947 1.699 . . . . 0.0 115.442 -166.394 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -45.86 -59.3 2.89 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.368 0.667 . . . . 0.0 111.655 -179.207 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -94.5 -78.02 0.45 Allowed 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 -168.344 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -65.68 -3.72 5.21 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 116.724 2.12 . . . . 0.0 116.724 -164.249 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 76.2 mt -90.69 5.71 47.02 Favored 'General case' 0 C--O 1.225 -0.196 0 CA-C-N 119.404 1.002 . . . . 0.0 112.055 169.94 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 78.75 -34.44 0.16 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 120.711 1.596 . . . . 0.0 112.555 177.334 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 16.0 pt -53.09 -15.04 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 C-N-CA 126.464 1.906 . . . . 0.0 114.451 -176.483 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.627 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 173.975 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 . . . . . 0 CA--C 1.533 0.305 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . 0.349 18.3 m-20 -61.74 41.31 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 129.834 3.254 . . . . 0.0 113.015 164.416 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 pp -11.41 24.25 0.0 OUTLIER 'General case' 0 C--N 1.344 0.35 1 C-N-CA 139.519 7.128 . . . . 0.0 121.455 -157.504 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.433 ' CG ' ' HZ3' ' B' ' 35' ' ' LYS . 24.9 p-10 -55.35 -35.79 65.59 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 104.961 -2.237 . . . . 0.0 104.961 157.434 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 1.6 ppt_? -64.33 -5.7 5.63 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 177.933 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -59.5 -38.14 80.11 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.955 0.798 . . . . 0.0 110.74 169.34 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -143.05 72.92 1.38 Allowed 'General case' 0 C--O 1.239 0.523 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -174.176 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 28.5 t0 53.91 21.54 2.87 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 127.32 2.248 . . . . 0.0 113.078 169.807 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 49.68 24.81 1.29 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.211 1.004 . . . . 0.0 113.256 -176.402 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -90.0 74.13 7.29 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 106.202 -1.777 . . . . 0.0 106.202 169.683 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 22.3 t -77.06 112.14 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 C-N-CA 119.952 -0.699 . . . . 0.0 109.822 -168.868 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -67.51 159.6 29.36 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 126.48 1.912 . . . . 0.0 109.17 171.999 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -58.85 -43.31 90.74 Favored 'General case' 0 C--O 1.227 -0.127 0 O-C-N 121.626 -0.671 . . . . 0.0 109.873 177.071 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -52.24 -56.21 16.2 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-O 119.473 -0.299 . . . . 0.0 110.324 174.151 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -57.38 -51.74 68.19 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 122.903 0.481 . . . . 0.0 110.813 -178.525 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -48.49 -50.07 33.11 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 125.059 1.343 . . . . 0.0 109.934 175.677 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 22.5 mm -67.68 -42.3 86.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 CA-C-O 118.411 -0.804 . . . . 0.0 111.885 179.183 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 77.9 m -57.03 -49.93 74.29 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 120.592 1.542 . . . . 0.0 110.219 177.316 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -53.52 -58.52 6.85 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 125.641 1.576 . . . . 0.0 110.633 175.165 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 15.4 mt -51.41 -48.21 62.71 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 117.726 0.239 . . . . 0.0 110.666 175.461 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.36 -51.43 21.27 Favored Glycine 0 CA--C 1.529 0.944 0 C-N-CA 125.711 1.624 . . . . 0.0 113.534 172.623 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.01 -54.8 43.02 Favored 'General case' 0 CA--C 1.531 0.213 0 O-C-N 121.783 -0.833 . . . . 0.0 109.513 177.505 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -52.71 -38.83 61.35 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 122.488 0.315 . . . . 0.0 111.038 176.261 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.13 -41.29 81.88 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 125.766 1.626 . . . . 0.0 111.628 -178.061 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 1.4 tmm? -74.64 -21.06 59.64 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.407 -0.808 . . . . 0.0 111.225 174.267 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 86.0 mt -73.0 -71.59 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 CA-C-N 118.888 0.767 . . . . 0.0 109.923 169.932 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . 0.253 0.7 OUTLIER -74.25 26.51 0.08 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.895 1.278 . . . . 0.0 113.799 -177.996 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -50.79 -9.78 0.06 Allowed 'General case' 0 C--O 1.235 0.326 0 N-CA-C 117.796 2.517 . . . . 0.0 117.796 -167.791 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 . . . . . 0 C--N 1.327 -0.408 0 O-C-N 120.708 -1.245 . . . . 0.0 109.749 173.519 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.8 mm . . . . . 0 CA--C 1.536 0.406 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.18 -52.31 18.08 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 124.807 1.194 . . . . 0.0 112.156 170.509 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.8 mt -54.57 -53.7 51.12 Favored 'General case' 0 C--N 1.338 0.079 0 CA-C-N 118.443 1.121 . . . . 0.0 110.146 177.589 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -54.58 -46.49 73.73 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 118.176 0.444 . . . . 0.0 110.937 178.467 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.4 mt -59.74 -36.19 64.42 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.173 0 C-N-CA 124.596 1.158 . . . . 0.0 111.418 176.868 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.44 -65.98 2.4 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 110.26 -1.136 . . . . 0.0 110.26 175.996 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.4 mm -44.67 -41.66 2.16 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.133 0 C-N-CA 127.081 2.152 . . . . 0.0 111.148 -178.123 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -28.73 -62.36 0.11 Allowed 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.288 1.835 . . . . 0.0 113.669 176.985 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -92.79 9.21 36.15 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 -173.933 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.1 tptp -63.27 -44.82 94.0 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 120.095 1.316 . . . . 0.0 109.479 173.897 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -56.82 125.0 20.48 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 123.927 0.891 . . . . 0.0 108.76 -175.961 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.8 p . . . . . 0 N--CA 1.469 0.48 0 C-N-CA 127.643 2.377 . . . . 0.0 112.148 -168.047 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.9 tttm . . . . . 0 CA--C 1.534 0.354 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -74.57 38.31 0.12 Allowed 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 114.419 1.266 . . . . 0.0 114.419 -173.107 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 63.8 p -153.56 139.79 18.47 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 124.617 1.167 . . . . 0.0 108.276 176.104 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 65.8 mt -98.05 100.3 11.62 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 168.996 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.3 m -78.95 60.96 3.03 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.249 -0.907 . . . . 0.0 111.188 -176.757 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? 62.98 -66.33 0.09 Allowed 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 127.355 2.262 . . . . 0.0 112.979 179.144 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.5 pttm -55.06 -45.96 75.34 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 119.054 0.843 . . . . 0.0 111.04 -175.973 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -50.31 -40.4 48.59 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 118.855 0.752 . . . . 0.0 112.166 171.882 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 tt -64.4 -21.28 66.59 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.604 -0.685 . . . . 0.0 111.245 -178.8 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.89 -41.93 75.19 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.379 -0.825 . . . . 0.0 109.552 170.414 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 59.0 tt0 -57.22 -41.55 79.71 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-O 121.445 0.64 . . . . 0.0 109.572 176.364 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 tt -58.96 -74.39 0.07 Allowed 'General case' 0 N--CA 1.439 -1.024 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.375 -171.307 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.591 ' HA ' ' HB3' ' A' ' 41' ' ' GLU . 28.6 pt -46.33 -11.65 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.556 1.191 0 N-CA-C 117.105 2.261 . . . . 0.0 117.105 -166.649 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -92.38 -53.81 4.06 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 121.149 1.795 . . . . 0.0 112.965 169.796 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.54 33.53 0.91 Allowed 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 128.732 2.813 . . . . 0.0 107.943 176.84 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.591 ' HB3' ' HA ' ' A' ' 38' ' ' ILE . 1.0 OUTLIER -64.55 -111.98 0.0 OUTLIER 'General case' 0 N--CA 1.432 -1.333 1 N-CA-C 126.118 5.599 . . . . 0.0 126.118 -153.78 . . . . . . . . 4 4 . 1 . 022 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.437 ' HG ' ' HB2' ' A' ' 41' ' ' GLU . 43.7 mt -96.45 -59.42 1.83 Allowed 'General case' 0 N--CA 1.436 -1.162 0 C-N-CA 127.653 2.381 . . . . 0.0 110.184 -163.216 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.0 m -161.55 -67.04 0.06 Allowed 'General case' 0 C--O 1.228 -0.056 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 175.128 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 34.3 pt . . . . . 0 N--CA 1.454 -0.272 0 C-N-CA 125.679 1.592 . . . . 0.0 110.417 172.097 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.7 tp . . . . . 0 N--CA 1.449 -0.495 0 CA-C-O 118.701 -0.666 . . . . 0.0 110.174 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 44.2 ttm -52.75 -49.44 65.49 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.309 0.644 . . . . 0.0 111.168 -179.72 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -56.86 -35.44 68.88 Favored 'General case' 0 CA--C 1.516 -0.328 0 C-N-CA 123.128 0.571 . . . . 0.0 111.594 176.972 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -63.97 -15.83 60.16 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 118.718 -0.658 . . . . 0.0 112.72 178.418 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.511 ' C ' ' H ' ' A' ' 62' ' ' ARG 0.313 37.7 mt -72.57 7.84 1.7 Allowed 'General case' 0 C--N 1.341 0.217 0 N-CA-C 118.339 2.718 . . . . 0.0 118.339 -167.18 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.413 ' OD1' ' NZ ' ' A' ' 64' ' ' LYS . 4.2 p-10 -65.18 -10.52 31.99 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 118.338 -1.345 . . . . 0.0 107.429 156.917 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.511 ' H ' ' C ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -14.03 28.07 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.697 1 C-N-CA 137.519 6.328 . . . . 0.0 121.209 -164.952 . . . . . . . . 4 4 . 1 . 022 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -53.81 -11.57 0.42 Allowed 'General case' 0 CA--C 1.539 0.556 0 O-C-N 120.83 -1.169 . . . . 0.0 113.5 174.599 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.413 ' NZ ' ' OD1' ' A' ' 61' ' ' ASP . 16.5 mttt -46.1 -14.26 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 128.619 2.767 . . . . 0.0 112.434 165.295 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -42.08 -53.29 4.01 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 165.192 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -80.53 144.02 32.81 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 168.089 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -49.29 134.57 18.25 Favored 'General case' 0 C--O 1.232 0.18 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -169.648 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 23.1 t -76.06 83.48 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 CA-C-O 122.078 0.942 . . . . 0.0 110.348 -169.128 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 -74.55 166.79 22.95 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 106.861 -1.533 . . . . 0.0 106.861 166.528 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -50.81 -45.22 59.28 Favored 'General case' 0 C--O 1.222 -0.388 0 O-C-N 121.784 -0.573 . . . . 0.0 109.688 -179.662 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -42.0 -42.66 2.91 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.679 1.192 . . . . 0.0 112.445 175.132 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -87.54 -44.21 11.44 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 119.176 0.898 . . . . 0.0 111.312 -170.886 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -49.02 -41.91 36.38 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 167.401 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 12.8 mm -64.83 -53.55 40.45 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 CA-C-O 117.082 -1.437 . . . . 0.0 112.125 173.651 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 37.5 m -41.59 -52.94 3.65 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 121.304 1.865 . . . . 0.0 110.115 178.162 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -57.63 -55.91 28.68 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 125.733 1.613 . . . . 0.0 112.051 176.552 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.7 mt -49.88 -48.77 51.2 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.28 0.491 . . . . 0.0 110.648 176.565 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.87 -47.22 80.6 Favored Glycine 0 CA--C 1.526 0.729 0 C-N-CA 125.509 1.528 . . . . 0.0 111.463 178.666 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.63 -51.21 57.52 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 122.647 0.379 . . . . 0.0 110.953 176.758 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.5 mp -69.97 -47.8 60.83 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 122.19 -0.319 . . . . 0.0 111.598 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -38.39 -54.55 1.45 Allowed 'General case' 0 C--O 1.236 0.369 0 C-N-CA 127.338 2.255 . . . . 0.0 113.311 -173.536 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 74.0 mtm -39.99 -48.98 2.47 Favored 'General case' 0 C--N 1.339 0.144 0 O-C-N 124.385 1.053 . . . . 0.0 110.631 176.822 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 38.3 mm -88.37 -70.91 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 C-N-CA 125.311 1.444 . . . . 0.0 109.806 -175.826 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . 0.267 0.0 OUTLIER -65.75 -24.16 66.89 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -166.622 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -91.39 -61.81 1.57 Allowed 'General case' 0 C--N 1.341 0.215 0 CA-C-N 118.967 0.803 . . . . 0.0 111.449 178.727 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.233 0.209 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 -166.134 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.263 0 N-CA-C 111.619 0.229 . . . . 0.0 111.619 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 33.1 mm -59.03 -45.92 92.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 176.491 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.98 -45.28 50.76 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 124.18 0.895 . . . . 0.0 110.96 174.075 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.2 tp -66.5 -62.53 1.42 Allowed 'General case' 0 N--CA 1.445 -0.687 0 O-C-N 121.855 -0.791 . . . . 0.0 110.513 -179.773 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 80.7 mt -68.78 -56.83 6.79 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 119.136 -1.026 . . . . 0.0 109.985 -173.718 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -90.95 -32.22 5.28 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-O 118.209 -0.901 . . . . 0.0 111.365 -171.411 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.62 -62.32 5.9 Favored Glycine 0 C--N 1.34 0.801 0 N-CA-C 108.437 -1.865 . . . . 0.0 108.437 -178.301 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 45.7 mt -42.27 -40.75 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.156 0 C-N-CA 123.559 0.744 . . . . 0.0 111.118 174.142 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -49.47 -58.29 5.45 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 -177.171 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -90.24 -7.3 53.83 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 176.736 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -62.56 -55.03 31.12 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 106.812 -1.551 . . . . 0.0 106.812 167.908 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 9.1 m-30 -64.92 133.16 51.2 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 176.41 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.7 t 52.59 17.13 0.75 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.345 1.858 . . . . 0.0 115.934 -169.376 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.794 0 C-N-CA 117.94 -2.076 . . . . 0.0 117.395 -169.771 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? . . . . . 0 CA--C 1.532 0.252 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -139.6 126.76 21.16 Favored 'General case' 0 C--N 1.339 0.125 0 C-N-CA 123.308 0.643 . . . . 0.0 110.027 -179.672 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 18.9 p -83.85 172.86 11.75 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 126.338 1.855 . . . . 0.0 108.925 169.966 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 6.3 mp -103.22 150.35 23.79 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 118.242 0.473 . . . . 0.0 110.167 176.304 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 18.6 p -120.53 171.52 8.49 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 126.587 1.955 . . . . 0.0 108.414 169.833 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 31.0 tttp -52.38 -30.28 28.18 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -171.052 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.522 ' HZ3' ' CD ' ' B' ' 33' ' ' GLU . 20.1 pttm -64.39 -31.38 72.57 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 -174.988 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 33' ' ' GLU . . . . . 0.522 ' CD ' ' HZ3' ' B' ' 32' ' ' LYS . 0.8 OUTLIER -91.05 -31.87 16.11 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 119.128 0.876 . . . . 0.0 110.031 171.319 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -51.72 -41.43 61.5 Favored 'General case' 0 C--O 1.225 -0.214 0 CA-C-N 118.554 0.616 . . . . 0.0 110.041 171.122 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -41.25 -43.72 2.46 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.397 0.679 . . . . 0.0 112.72 170.188 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -77.73 -53.4 7.57 Favored 'General case' 0 N--CA 1.454 -0.231 0 O-C-N 122.013 -0.429 . . . . 0.0 110.353 176.865 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 tt -45.66 -49.85 14.05 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.765 1.626 . . . . 0.0 109.878 -175.046 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 5.9 pt -71.86 -17.24 19.16 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -174.357 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -88.1 -58.94 2.38 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 172.209 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -82.2 -82.85 0.13 Allowed 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 123.886 0.875 . . . . 0.0 111.69 -172.365 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -51.56 -34.73 37.98 Favored 'General case' 0 CA--C 1.528 0.122 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -167.47 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 37.2 mt -64.22 -5.82 5.65 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 119.612 1.096 . . . . 0.0 113.898 176.586 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 10.5 m 46.0 -107.96 0.16 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.184 1.793 . . . . 0.0 113.549 167.661 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 44.4 mm -71.21 -18.63 20.54 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 O-C-N 121.35 -0.844 . . . . 0.0 111.284 -174.678 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.659 0 N-CA-C 109.34 -1.504 . . . . 0.0 109.34 169.863 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . 0.262 0.7 OUTLIER . . . . . 0 N--CA 1.47 0.536 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 . . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -72.9 20.48 0.08 Allowed 'General case' 0 N--CA 1.44 -0.938 0 O-C-N 121.79 -0.569 . . . . 0.0 110.977 175.176 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 12.0 mt -54.34 -24.54 19.77 Favored 'General case' 0 C--N 1.346 0.45 0 O-C-N 119.482 -2.011 . . . . 0.0 109.99 166.22 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.62 -25.51 0.48 Allowed 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 123.813 0.845 . . . . 0.0 112.539 168.298 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 11.8 ptp85 -43.31 -19.22 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 169.15 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -30.01 -41.13 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 126.988 2.115 . . . . 0.0 112.794 167.92 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . 0.289 3.2 ptmm? 65.15 -59.47 0.26 Allowed 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 127.757 2.423 . . . . 0.0 115.872 172.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -59.54 -40.58 87.7 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 119.321 0.964 . . . . 0.0 109.204 -173.815 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -129.23 121.36 27.45 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 101.911 -3.366 . . . . 0.0 101.911 163.92 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -69.63 -76.02 0.1 Allowed 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 119.025 0.83 . . . . 0.0 109.542 -172.8 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 1.6 t -139.97 104.92 1.98 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 121.592 0.71 . . . . 0.0 111.502 171.741 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -89.53 168.34 12.25 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.225 1.01 . . . . 0.0 108.328 167.35 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -55.29 -40.93 71.66 Favored 'General case' 0 C--O 1.225 -0.212 0 C-N-CA 123.509 0.724 . . . . 0.0 111.914 -169.393 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -56.89 -59.08 5.57 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 179.331 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -56.69 -52.24 65.7 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 122.949 0.5 . . . . 0.0 110.461 -178.2 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -44.39 -59.46 2.4 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 125.586 1.554 . . . . 0.0 109.771 175.543 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 74' ' ' ILE . . . . . 0.43 HD13 ' HA ' ' B' ' 74' ' ' ILE . 2.8 mm -59.15 -41.81 84.82 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 C-N-CA 123.681 0.793 . . . . 0.0 111.296 178.684 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 44.9 m -61.38 -49.32 77.39 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 118.843 0.747 . . . . 0.0 109.241 -176.323 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . 0.307 5.0 p90 -70.84 -37.44 73.15 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 122.01 -0.431 . . . . 0.0 112.034 -178.769 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 31.2 mt -55.55 -48.09 75.32 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.789 -0.569 . . . . 0.0 109.669 168.489 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.99 -45.92 79.45 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 125.975 1.75 . . . . 0.0 111.973 179.046 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.95 -51.72 55.14 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.732 0.266 . . . . 0.0 110.593 174.781 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 27.1 mt -63.9 -40.0 95.48 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 121.795 -0.566 . . . . 0.0 111.645 175.283 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.408 ' HA ' ' CE1' ' B' ' 84' ' ' TYR . . . -51.66 -47.02 63.95 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.726 0.81 . . . . 0.0 111.046 -178.09 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 30.5 mtp -50.55 -65.65 0.52 Allowed 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 121.263 0.554 . . . . 0.0 109.914 172.902 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.81 -53.79 40.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 123.948 0.899 . . . . 0.0 110.742 -170.007 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 84' ' ' TYR . . . . . 0.408 ' CE1' ' HA ' ' B' ' 81' ' ' ALA . 0.0 OUTLIER -77.46 -5.73 50.96 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -171.503 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -90.66 -100.1 0.1 Allowed 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 178.039 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.234 0.286 0 C-N-CA 125.339 1.455 . . . . 0.0 111.671 175.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.2 mmt . . . . . 0 CA--C 1.533 0.312 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 69.29 36.87 2.2 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 125.302 1.441 . . . . 0.0 109.054 -168.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 m -79.64 172.44 9.87 Favored Pre-proline 0 CA--C 1.539 0.555 0 N-CA-C 106.958 -1.497 . . . . 0.0 106.958 169.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -44.23 -59.84 0.98 Allowed 'Trans proline' 0 CA--C 1.537 0.643 0 C-N-CA 122.803 2.335 . . . . 0.0 115.637 -168.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 55.3 tp -63.32 -56.5 15.91 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 121.953 -0.467 . . . . 0.0 111.176 -174.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.85 -45.52 78.43 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 125.089 1.356 . . . . 0.0 110.943 179.43 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -57.48 -50.01 74.43 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.874 0.87 . . . . 0.0 110.143 174.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.85 -49.44 77.68 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-N 118.217 0.462 . . . . 0.0 111.381 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 98.1 mt -53.84 -51.03 48.45 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 175.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.52 -47.87 28.83 Favored Glycine 0 CA--C 1.528 0.87 0 C-N-CA 124.372 0.987 . . . . 0.0 111.407 173.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 52.8 tp -63.36 -49.17 74.91 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 117.768 0.784 . . . . 0.0 110.544 179.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.1 mp -54.1 -50.34 67.06 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.927 0.785 . . . . 0.0 110.612 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 90.1 mt -63.02 -46.02 97.35 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 122.75 0.42 . . . . 0.0 109.878 177.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.5 -45.48 93.02 Favored Glycine 0 CA--C 1.522 0.523 0 C-N-CA 125.186 1.374 . . . . 0.0 111.383 -178.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 20.4 mm -65.99 -53.93 32.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 177.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -40.56 -60.06 1.21 Allowed 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.68 0.792 . . . . 0.0 111.148 172.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . 0.251 2.2 m-70 -90.84 21.77 3.95 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 178.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -50.0 65.53 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 168.453 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -80.38 57.8 2.93 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 125.147 1.379 . . . . 0.0 108.152 -177.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.0 m -151.62 36.03 0.57 Allowed 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.234 1.014 . . . . 0.0 109.177 178.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -115.65 27.65 8.24 Favored Glycine 0 CA--C 1.528 0.855 0 N-CA-C 110.308 -1.117 . . . . 0.0 110.308 173.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.9 mttp -140.7 -121.35 0.11 Allowed 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 104.063 -2.569 . . . . 0.0 104.063 177.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.25 -87.29 0.06 Allowed 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 165.237 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.67 -51.07 3.0 Favored Glycine 0 CA--C 1.527 0.799 0 CA-C-O 118.701 -1.055 . . . . 0.0 113.734 169.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.1 t70 72.41 158.22 0.2 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 127.364 2.266 . . . . 0.0 111.343 -171.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -100.24 -37.51 8.88 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 126.417 1.887 . . . . 0.0 110.868 -179.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.0 p80 -71.94 -50.09 32.01 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 119.901 1.228 . . . . 0.0 111.214 -177.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -111.58 -168.06 1.26 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.235 1.814 . . . . 0.0 107.207 174.004 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -136.29 119.43 16.57 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 -179.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.3 p -62.74 150.28 41.68 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.1 0.476 . . . . 0.0 112.06 -171.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.0 mmtm -48.77 -58.18 5.19 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.732 0.813 . . . . 0.0 110.563 170.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.8 -30.95 71.98 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 120.438 -0.505 . . . . 0.0 111.286 -170.132 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -69.42 -45.48 69.08 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 118.759 0.709 . . . . 0.0 110.804 169.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.0 tt -55.97 -38.44 70.4 Favored 'General case' 0 N--CA 1.462 0.144 0 O-C-N 120.986 -1.071 . . . . 0.0 110.875 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.425 ' NZ ' ' OD1' ' A' ' 59' ' ' ASP . 41.5 mmtt -60.11 -9.55 3.36 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 113.437 0.902 . . . . 0.0 113.437 179.217 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -78.55 -49.57 13.09 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 120.11 1.323 . . . . 0.0 110.413 169.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tt -45.73 -60.42 2.22 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 126.108 1.763 . . . . 0.0 109.284 176.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.1 tt -58.48 -46.59 89.63 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.485 -170.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -65.15 -59.53 4.01 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 120.055 -0.658 . . . . 0.0 110.758 -176.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.9 mmtm -97.15 -64.77 1.01 Allowed 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 115.884 1.809 . . . . 0.0 115.884 -175.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -78.75 14.53 1.3 Allowed 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 116.531 2.048 . . . . 0.0 116.531 -165.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.88 22.95 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 117.537 2.421 . . . . 0.0 117.537 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 69.09 -71.72 0.12 Allowed 'General case' 0 CA--C 1.531 0.223 0 O-C-N 120.167 -1.583 . . . . 0.0 112.593 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 15.2 tt -72.15 -67.62 0.46 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.402 0 C-N-CA 124.594 1.157 . . . . 0.0 110.811 -170.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -22.32 -62.04 0.03 OUTLIER Glycine 0 CA--C 1.53 0.98 0 C-N-CA 128.918 3.151 . . . . 0.0 116.139 -168.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.7 p -62.32 -13.08 25.02 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 -172.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.38 -20.89 31.19 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 118.762 0.71 . . . . 0.0 110.955 175.279 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.402 HD22 ' N ' ' A' ' 48' ' ' LEU . 2.7 mm? -94.25 -118.68 0.1 Allowed 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 104.522 -2.399 . . . . 0.0 104.522 169.012 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -135.24 39.12 2.92 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 168.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 64.13 -61.69 0.18 Allowed 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 126.518 1.927 . . . . 0.0 114.002 -178.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 61.83 54.27 2.92 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.846 1.258 . . . . 0.0 110.11 -173.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.404 ' HG2' ' H ' ' A' ' 52' ' ' GLU . 5.3 mm-40 -44.32 -43.26 7.33 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.446 1.498 . . . . 0.0 111.328 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 29.1 pt -52.66 -35.88 21.78 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 124.856 1.262 . . . . 0.0 113.147 178.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.6 t -77.1 -39.25 28.82 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.064 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 175.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -56.56 -35.1 67.77 Favored 'General case' 0 N--CA 1.452 -0.338 0 O-C-N 121.92 -0.488 . . . . 0.0 110.939 176.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.4 mt -48.67 -28.4 3.52 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.935 0.789 . . . . 0.0 112.665 173.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 16.1 tpt -71.26 -60.02 2.46 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 118.707 0.685 . . . . 0.0 109.918 169.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.531 ' C ' ' H ' ' A' ' 60' ' ' LEU . 38.6 t70 -72.97 7.92 1.81 Allowed 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 126.56 1.944 . . . . 0.0 115.114 -176.524 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.425 ' OD1' ' NZ ' ' A' ' 35' ' ' LYS . 20.3 t70 -66.99 28.76 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 128.946 2.899 . . . . 0.0 109.119 163.545 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.531 ' H ' ' C ' ' A' ' 58' ' ' ASP . 48.1 mt -60.52 -6.47 1.63 Allowed 'General case' 0 C--N 1.344 0.367 0 C-N-CA 128.303 2.641 . . . . 0.0 111.496 -179.015 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -52.82 -20.65 3.4 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.629 0.728 . . . . 0.0 110.147 164.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.409 ' NH1' ' HB3' ' A' ' 59' ' ' ASP . 43.0 mtm-85 -54.04 -18.09 3.27 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 168.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -28.6 -70.39 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 127.461 2.304 . . . . 0.0 117.116 -167.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.403 ' NZ ' ' OE2' ' A' ' 72' ' ' GLU . 11.9 pttp -150.15 -53.46 0.15 Allowed 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 119.225 0.92 . . . . 0.0 112.744 -171.093 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.93 -22.37 61.48 Favored 'General case' 0 N--CA 1.461 0.116 0 C-N-CA 124.342 1.057 . . . . 0.0 111.318 -168.606 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 68.7 -71.94 0.11 Allowed 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 126.449 1.9 . . . . 0.0 108.161 -168.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -80.59 79.5 7.21 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 106.581 -1.637 . . . . 0.0 106.581 176.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.0 m -54.52 161.26 0.47 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.127 0 C-N-CA 125.618 1.567 . . . . 0.0 114.541 -169.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -95.08 179.3 5.26 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 125.079 1.352 . . . . 0.0 108.156 175.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -59.05 -33.2 70.5 Favored 'General case' 0 C--O 1.224 -0.256 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 168.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.47 -64.84 0.68 Allowed 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 123.55 0.74 . . . . 0.0 111.392 178.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.403 ' OE2' ' NZ ' ' A' ' 64' ' ' LYS . 27.9 mp0 -62.92 -44.86 94.94 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 119.546 1.066 . . . . 0.0 109.664 -171.166 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -42.66 -68.13 0.22 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.829 1.251 . . . . 0.0 110.133 170.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 9.5 tp -70.78 -25.81 26.94 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.309 0 O-C-N 121.745 -0.597 . . . . 0.0 111.108 -171.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 91.7 m -59.92 -56.88 16.3 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 118.74 0.7 . . . . 0.0 109.69 173.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.01 -44.51 72.65 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 122.237 -0.289 . . . . 0.0 110.315 -175.163 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 39.1 mt -58.52 -37.46 75.69 Favored 'General case' 0 C--O 1.224 -0.248 0 O-C-N 121.747 -0.596 . . . . 0.0 111.065 172.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.34 -49.77 74.95 Favored Glycine 0 CA--C 1.525 0.674 0 C-N-CA 124.42 1.009 . . . . 0.0 110.774 175.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.84 -51.86 59.35 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 122.531 0.332 . . . . 0.0 110.253 175.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 97.7 mt -59.8 -42.29 93.11 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 122.122 -0.361 . . . . 0.0 111.469 177.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.17 -38.65 83.84 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.564 0.746 . . . . 0.0 110.778 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 8.0 ttt -53.02 -28.49 24.45 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 119.533 -0.27 . . . . 0.0 111.158 172.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 21.5 mm -88.62 -67.12 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 C-N-CA 123.512 0.725 . . . . 0.0 109.62 174.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -61.91 -29.73 70.41 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 113.523 0.935 . . . . 0.0 113.523 -168.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -91.21 22.9 3.55 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 118.723 -0.656 . . . . 0.0 111.712 178.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.429 ' OE1' ' NZ ' ' A' ' 89' ' ' LYS . 10.9 tp10 -40.39 102.12 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 -171.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.423 ' H ' HD23 ' A' ' 88' ' ' LEU . . . -156.51 35.39 0.32 Allowed 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 126.948 2.099 . . . . 0.0 106.784 167.609 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.423 HD23 ' H ' ' A' ' 87' ' ' ALA . 2.3 pt? -149.14 -16.17 0.29 Allowed 'General case' 0 C--N 1.343 0.314 0 N-CA-C 114.868 1.433 . . . . 0.0 114.868 -169.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.429 ' NZ ' ' OE1' ' A' ' 86' ' ' GLU . 4.2 mtmp? -114.15 -32.42 6.01 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 124.36 1.064 . . . . 0.0 109.06 166.119 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.344 0 CA-C-O 121.717 0.62 . . . . 0.0 111.64 172.577 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 59.1 33.87 23.07 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 125.462 1.505 . . . . 0.0 112.135 -172.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 88.7 p -84.34 137.89 39.28 Favored Pre-proline 0 N--CA 1.452 -0.356 0 N-CA-C 105.247 -2.131 . . . . 0.0 105.247 168.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -25.39 -61.09 0.06 OUTLIER 'Trans proline' 0 CA--C 1.539 0.772 1 C-N-CA 125.432 4.088 . . . . 0.0 117.196 -169.026 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -56.58 -43.12 79.72 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.42 -41.25 33.5 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.43 0.692 . . . . 0.0 109.555 179.107 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -48.01 -38.99 18.39 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 126.208 1.803 . . . . 0.0 110.967 174.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -50.96 -49.56 59.79 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 118.053 0.388 . . . . 0.0 112.035 173.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ILE . . . . . 0.403 HD12 ' N ' ' B' ' 9' ' ' ILE . 2.0 mp -68.26 -40.13 82.16 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 N-CA-C 107.929 -1.138 . . . . 0.0 107.929 174.335 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -41.74 -39.45 2.65 Favored Glycine 0 CA--C 1.529 0.947 0 C-N-CA 125.664 1.602 . . . . 0.0 112.6 169.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 85.1 mt -61.17 -46.41 90.63 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 119.602 1.701 . . . . 0.0 110.97 174.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 54.7 mt -63.94 -44.86 91.56 Favored 'General case' 0 C--O 1.234 0.286 0 O-C-N 121.689 -0.632 . . . . 0.0 109.809 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 81.8 mt -57.29 -40.71 75.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 C-N-CA 123.335 0.654 . . . . 0.0 109.591 171.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.23 -62.13 6.63 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 126.038 1.78 . . . . 0.0 110.094 176.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.9 mp -56.76 -48.44 81.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-N 118.852 1.326 . . . . 0.0 109.411 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.453 ' CE2' ' CE1' ' B' ' 17' ' ' HIS . 53.4 t80 -43.3 -66.91 0.32 Allowed 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 123.661 0.784 . . . . 0.0 110.863 174.116 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' HIS . . . . . 0.453 ' CE1' ' CE2' ' B' ' 16' ' ' PHE . 1.5 m-70 -85.33 0.71 51.2 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 115.948 1.832 . . . . 0.0 115.948 -175.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -59.17 -48.92 79.82 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 106.01 -1.848 . . . . 0.0 106.01 166.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -76.63 50.22 0.67 Allowed 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 122.358 1.075 . . . . 0.0 110.883 171.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 16.1 m -142.97 -1.37 1.09 Allowed 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 123.613 0.765 . . . . 0.0 111.405 167.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.77 -50.36 68.19 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 108.774 -1.731 . . . . 0.0 108.774 170.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -74.81 10.86 1.23 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.593 1.157 . . . . 0.0 112.53 178.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -111.99 1.93 16.65 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 124.585 1.154 . . . . 0.0 111.494 178.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.84 -57.05 4.81 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -130.09 163.38 26.68 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.09 0.956 . . . . 0.0 110.921 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.71 54.51 0.16 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 127.136 2.174 . . . . 0.0 113.267 -173.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 34.0 p80 -106.0 -172.05 2.02 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 121.117 -0.989 . . . . 0.0 111.094 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 1.3 p -43.68 141.47 1.5 Allowed 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 127.288 2.235 . . . . 0.0 110.629 173.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 8.2 mp -71.41 100.83 2.27 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 174.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.7 m -84.95 90.33 7.79 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 122.97 0.508 . . . . 0.0 110.714 -170.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 18.5 mttp 64.79 -82.68 0.03 OUTLIER 'General case' 0 C--O 1.232 0.152 0 C-N-CA 124.924 1.289 . . . . 0.0 113.115 169.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -51.97 -44.56 64.05 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.648 0.779 . . . . 0.0 109.507 -172.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -52.76 -50.01 64.37 Favored 'General case' 0 N--CA 1.437 -1.106 0 C-N-CA 124.032 0.933 . . . . 0.0 110.579 176.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.567 HD23 HG21 ' B' ' 68' ' ' VAL . 0.5 OUTLIER -67.45 -45.96 74.48 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 118.894 -1.123 . . . . 0.0 108.991 -175.504 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 58.2 mmtt -67.36 -26.24 66.38 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 119.568 -0.853 . . . . 0.0 110.799 -175.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -73.96 -35.92 64.57 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.846 0.858 . . . . 0.0 112.006 171.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.2 tt -68.4 -57.29 6.11 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 125.298 1.439 . . . . 0.0 110.776 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 19.4 tt -53.67 -36.45 29.0 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 C-N-CA 123.434 0.694 . . . . 0.0 112.682 -169.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -74.32 -19.48 60.45 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -93.23 -100.31 0.13 Allowed 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 178.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -86.73 -30.26 21.76 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 115.631 1.715 . . . . 0.0 115.631 -166.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -29.04 -61.63 0.13 Allowed 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 116.649 2.092 . . . . 0.0 116.649 -167.338 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 80.1 p -81.42 -110.19 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 120.88 0.371 . . . . 0.0 110.15 -169.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 7.1 mt -86.57 51.6 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 O-C-N 120.788 -1.195 . . . . 0.0 109.178 -174.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 61.47 -168.77 11.77 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -171.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.1 p -70.83 62.31 0.27 Allowed 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 126.645 1.978 . . . . 0.0 110.631 176.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -154.99 -41.34 0.09 Allowed 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 128.995 2.918 . . . . 0.0 107.173 -179.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 1.6 mp 65.89 -83.15 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 125.574 1.549 . . . . 0.0 111.781 171.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 68.91 -41.52 0.47 Allowed 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.679 1.992 . . . . 0.0 112.734 -175.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -53.2 142.5 20.58 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.598 1.559 . . . . 0.0 111.184 177.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.56 161.84 28.27 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 -168.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -49.47 -44.18 45.7 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.536 1.534 . . . . 0.0 109.382 170.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 37.8 pt -63.14 -26.5 41.09 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.712 0 CA-C-O 118.507 -0.759 . . . . 0.0 112.462 177.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 60.5 t -74.0 -49.08 35.66 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 119.664 1.12 . . . . 0.0 108.132 171.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 56.1 mttp -56.5 -36.92 69.69 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.984 -0.448 . . . . 0.0 111.224 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 53.2 tp -57.16 -27.49 61.94 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.572 1.149 . . . . 0.0 112.153 174.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 21.0 mmt -73.18 -62.03 1.61 Allowed 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 170.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -65.7 -9.41 27.52 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 -172.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -60.05 -4.32 0.75 Allowed 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.032 0.533 . . . . 0.0 110.141 163.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 59.9 tp -28.13 -30.92 0.0 OUTLIER 'General case' 0 C--N 1.344 0.348 1 C-N-CA 132.606 4.362 . . . . 0.0 114.933 169.26 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.564 ' HB2' HG22 ' B' ' 68' ' ' VAL . 2.8 p30 -44.33 -25.89 0.28 Allowed 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 122.649 1.214 . . . . 0.0 112.622 168.085 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -38.66 -36.75 0.28 Allowed 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 127.452 2.301 . . . . 0.0 111.674 167.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -41.42 -39.35 1.46 Allowed 'General case' 0 C--N 1.341 0.222 0 C-N-CA 127.459 2.304 . . . . 0.0 113.502 177.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.64 75.95 1.41 Allowed 'General case' 0 C--O 1.235 0.336 0 N-CA-C 105.407 -2.072 . . . . 0.0 105.407 -177.252 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 31.4 t0 16.95 55.9 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 130.256 3.422 . . . . 0.0 115.735 -174.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 61.31 10.2 2.95 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 115.799 1.777 . . . . 0.0 115.799 164.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.4 85.12 7.11 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 106.491 -1.67 . . . . 0.0 106.491 170.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.567 HG21 HD23 ' B' ' 34' ' ' LEU . 2.3 t -79.25 116.05 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -166.222 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -78.01 165.7 23.72 Favored 'General case' 0 CA--C 1.527 0.093 0 C-N-CA 124.647 1.179 . . . . 0.0 109.643 169.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -55.41 -45.63 76.7 Favored 'General case' 0 C--O 1.22 -0.455 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 177.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -51.07 -54.99 19.85 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 122.624 0.369 . . . . 0.0 110.803 175.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -59.77 -51.04 71.45 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.592 0.757 . . . . 0.0 109.857 -175.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -49.97 -52.12 36.17 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.663 1.185 . . . . 0.0 110.949 173.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 21.1 mm -61.07 -32.81 53.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 123.597 0.759 . . . . 0.0 110.789 178.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 26.4 m -56.29 -56.85 15.91 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 119.421 1.01 . . . . 0.0 109.91 -179.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.76 -44.61 69.83 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 119.207 -0.425 . . . . 0.0 111.304 -178.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 9.4 mt -50.1 -47.03 54.08 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 118.523 0.601 . . . . 0.0 110.374 174.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.27 -60.28 8.75 Favored Glycine 0 CA--C 1.523 0.567 0 C-N-CA 124.816 1.198 . . . . 0.0 111.49 174.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -49.81 -54.21 20.65 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.007 0.523 . . . . 0.0 110.978 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 42.2 mt -61.86 -48.51 80.21 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 123.571 0.748 . . . . 0.0 111.011 -179.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.26 -40.62 82.3 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 123.658 0.783 . . . . 0.0 110.041 -178.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' MET . . . . . 0.451 ' HA ' HD13 ' B' ' 88' ' ' LEU . 11.6 ttt -53.99 -26.11 24.41 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 122.643 0.377 . . . . 0.0 111.531 175.236 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 32.5 mm -90.85 -69.56 0.62 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 C-N-CA 123.883 0.873 . . . . 0.0 110.156 171.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 17.2 p90 -61.75 -33.38 73.96 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 -168.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -91.39 21.33 4.57 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.652 0.781 . . . . 0.0 111.704 -178.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -45.68 107.32 0.1 Allowed 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 -169.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' ALA . . . . . 0.488 ' H ' HD12 ' B' ' 88' ' ' LEU . . . -159.81 37.48 0.19 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 130.602 3.561 . . . . 0.0 104.733 167.058 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.488 HD12 ' H ' ' B' ' 87' ' ' ALA . 1.0 OUTLIER -127.49 -55.42 1.33 Allowed 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 128.159 2.583 . . . . 0.0 109.911 -167.763 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 30.9 mtmm -90.89 -28.27 18.22 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 125.097 1.359 . . . . 0.0 111.403 -176.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.36 0 C-N-CA 125.526 1.536 . . . . 0.0 110.909 -176.512 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.2 mtp . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 107.383 -1.34 . . . . 0.0 107.383 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.07 -87.74 0.4 Allowed 'General case' 0 CA--C 1.528 0.109 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 -168.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.7 p -67.27 162.27 56.77 Favored Pre-proline 0 C--N 1.327 -0.371 0 C-N-CA 123.711 0.804 . . . . 0.0 110.709 -169.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -48.87 -35.3 30.87 Favored 'Trans proline' 0 N--CA 1.455 -0.763 0 C-N-CA 122.424 2.083 . . . . 0.0 112.361 168.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 55.1 tp -63.98 -48.5 76.17 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 174.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -56.21 -49.27 74.56 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 176.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 55.0 mm-40 -54.52 -46.73 73.59 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 122.341 -0.224 . . . . 0.0 110.471 176.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.8 -53.41 58.16 Favored 'General case' 0 C--O 1.227 -0.12 0 C-N-CA 122.87 0.468 . . . . 0.0 110.567 178.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 92.8 mt -52.2 -52.41 24.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 177.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.35 -55.12 13.55 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 123.591 0.615 . . . . 0.0 111.911 176.032 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 50.4 tp -59.56 -53.28 59.85 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.959 0.904 . . . . 0.0 110.116 -176.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 mp -60.05 -50.96 71.65 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 124.218 1.007 . . . . 0.0 110.952 -176.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.511 HG12 HD21 ' B' ' 88' ' ' LEU . 55.6 mt -63.76 -41.68 93.4 Favored 'Isoleucine or valine' 0 C--N 1.339 0.15 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 178.445 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.21 -60.9 8.04 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 110.744 -0.943 . . . . 0.0 110.744 177.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 81.9 mt -59.36 -37.08 67.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 O-C-N 122.439 -0.448 . . . . 0.0 110.402 -178.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -58.75 -74.87 0.06 Allowed 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 118.777 0.717 . . . . 0.0 110.778 170.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -78.56 -31.05 47.15 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 117.326 2.343 . . . . 0.0 117.326 -164.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.37 -36.89 79.09 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 120.115 1.325 . . . . 0.0 109.65 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -67.65 -7.0 23.15 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.113 0.965 . . . . 0.0 112.076 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 51.1 m -63.64 -30.19 71.33 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 120.985 -1.072 . . . . 0.0 109.978 167.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 127.88 -74.03 0.44 Allowed Glycine 0 C--N 1.336 0.541 0 N-CA-C 106.546 -2.622 . . . . 0.0 106.546 -174.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.406 ' NZ ' ' OE1' ' A' ' 23' ' ' GLU . 3.4 mmmp? -82.13 -135.93 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 167.41 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.406 ' OE1' ' NZ ' ' A' ' 22' ' ' LYS . 22.9 mp0 -123.76 -16.6 6.62 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.306 0.643 . . . . 0.0 111.304 -169.345 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -165.78 37.38 0.26 Allowed Glycine 0 CA--C 1.528 0.891 0 N-CA-C 110.342 -1.103 . . . . 0.0 110.342 175.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.6 p-10 -82.47 -69.9 0.59 Allowed 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 125.659 1.584 . . . . 0.0 108.745 177.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.6 mmtm -82.87 106.28 14.57 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 105.967 -1.864 . . . . 0.0 105.967 175.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 52.5 m80 -65.72 -34.37 78.05 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 122.128 -0.357 . . . . 0.0 110.255 -175.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.3 p -97.1 156.97 16.15 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 106.496 -1.668 . . . . 0.0 106.496 166.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.9 mp -71.62 137.97 48.34 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 120.956 -1.09 . . . . 0.0 109.034 175.271 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.5 p -83.13 50.99 1.85 Allowed 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -169.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 36.4 mttm 67.96 -73.81 0.08 Allowed 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 125.886 1.675 . . . . 0.0 114.401 168.002 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -38.92 90.95 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.968 -0.458 . . . . 0.0 110.427 -170.082 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 50.6 mp0 -56.11 -35.43 67.05 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 122.433 0.293 . . . . 0.0 110.534 174.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.88 -43.84 97.72 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 119.87 -0.732 . . . . 0.0 110.469 -174.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -62.82 -20.04 64.65 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.658 -0.651 . . . . 0.0 112.273 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -79.29 -51.55 9.3 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 121.56 0.695 . . . . 0.0 109.897 169.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 tt -52.39 -42.45 64.03 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 125.852 1.661 . . . . 0.0 111.639 -176.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 7.0 pt -62.72 -32.65 56.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 120.095 -1.628 . . . . 0.0 112.608 178.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -63.27 -59.27 4.95 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 115.198 1.555 . . . . 0.0 115.198 -165.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.3 mtmm -92.86 -48.49 6.52 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 122.159 0.981 . . . . 0.0 111.27 -166.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -89.77 -49.18 6.78 Favored 'General case' 0 N--CA 1.437 -1.086 0 C-N-CA 127.181 2.193 . . . . 0.0 112.15 -165.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.7 mt -77.79 -70.12 0.5 Allowed 'General case' 0 C--N 1.342 0.26 0 CA-C-N 119.869 1.213 . . . . 0.0 112.241 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 42.0 p -77.01 93.61 3.85 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -163.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.8 mm -73.79 -77.18 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 CA-C-O 120.916 0.388 . . . . 0.0 110.181 170.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 44.11 33.51 2.83 Favored Glycine 0 CA--C 1.528 0.86 0 C-N-CA 126.319 1.914 . . . . 0.0 114.935 171.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.0 m 42.79 39.41 1.68 Allowed 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.619 1.168 . . . . 0.0 112.217 -175.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 53.0 mttt -58.67 -37.71 76.62 Favored 'General case' 0 C--N 1.34 0.157 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 -169.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 tm? 58.72 -82.29 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.223 1.409 . . . . 0.0 111.33 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -86.33 -18.11 32.77 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.013 0.925 . . . . 0.0 112.57 178.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.7 t70 58.12 -117.39 0.96 Allowed 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 -171.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 98.35 138.16 0.02 OUTLIER 'General case' 0 C--N 1.334 -0.085 0 C-N-CA 129.314 3.045 . . . . 0.0 109.498 -173.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -56.32 -32.27 64.5 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.962 -0.461 . . . . 0.0 110.71 172.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 39.5 mm -49.93 -41.76 18.0 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 C-N-CA 123.726 0.811 . . . . 0.0 110.67 169.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 52.8 t -79.96 -35.62 16.22 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.255 0 CA-C-N 118.156 0.434 . . . . 0.0 109.947 174.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.2 mttp -60.72 -22.23 63.77 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 119.74 1.155 . . . . 0.0 113.098 176.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.4 mp -52.81 -30.54 33.95 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 119.976 1.262 . . . . 0.0 110.698 168.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.4 tmm? -67.12 -56.56 9.47 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 171.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -47.1 -53.13 13.5 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 123.911 0.884 . . . . 0.0 110.71 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -65.84 20.96 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.636 1.974 . . . . 0.0 115.897 -167.043 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 62.8 tp -65.18 -47.46 76.89 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 121.102 -0.999 . . . . 0.0 109.363 168.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -48.26 -39.51 21.75 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 124.42 1.088 . . . . 0.0 110.408 174.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -6.4 1.49 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.171 1.788 . . . . 0.0 114.099 -177.574 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -27.32 -77.73 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 128.203 2.601 . . . . 0.0 114.025 176.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -79.7 85.13 5.43 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 121.283 -0.886 . . . . 0.0 110.86 -172.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.1 t70 42.14 49.34 4.29 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 126.643 1.977 . . . . 0.0 111.501 177.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 62.11 4.93 1.32 Allowed 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 115.513 1.671 . . . . 0.0 115.513 175.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -99.05 103.73 15.7 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 119.911 1.232 . . . . 0.0 110.572 -178.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.7 m -93.36 141.52 14.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 121.455 0.645 . . . . 0.0 110.795 170.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -104.34 172.71 6.65 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 128.172 2.589 . . . . 0.0 105.622 166.594 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -54.28 -43.43 71.02 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-O 118.612 -0.709 . . . . 0.0 112.352 -169.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -54.79 -57.36 11.86 Favored 'General case' 0 C--N 1.338 0.107 0 CA-C-N 118.768 0.713 . . . . 0.0 110.542 -178.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.14 -52.32 65.83 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -176.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -47.05 -56.38 6.59 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.51 1.124 . . . . 0.0 111.127 177.107 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.9 tp -73.85 -39.76 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 CA-C-O 119.338 -0.363 . . . . 0.0 110.185 -171.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 76.4 m -52.59 -52.61 54.42 Favored 'General case' 0 C--N 1.341 0.196 0 C-N-CA 123.391 0.676 . . . . 0.0 109.274 173.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -53.64 -55.45 25.83 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.744 1.218 . . . . 0.0 110.739 175.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.06 -53.34 10.39 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.036 0.534 . . . . 0.0 111.23 173.646 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.58 -50.62 59.54 Favored Glycine 0 CA--C 1.526 0.729 0 C-N-CA 124.474 1.035 . . . . 0.0 111.43 178.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.42 -52.45 65.58 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 117.267 0.533 . . . . 0.0 110.719 -178.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.2 mp -70.07 -34.07 72.72 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 121.547 -0.72 . . . . 0.0 110.689 -177.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.7 -50.43 73.23 Favored 'General case' 0 N--CA 1.455 -0.186 0 O-C-N 121.785 -0.572 . . . . 0.0 110.582 173.04 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.405 ' HA ' HD23 ' A' ' 88' ' ' LEU . 66.5 mtp -48.47 -37.16 16.64 Favored 'General case' 0 C--N 1.341 0.205 0 CA-C-N 118.402 0.546 . . . . 0.0 111.333 175.299 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 92.9 mt -76.39 -65.4 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 C-N-CA 122.782 0.433 . . . . 0.0 110.126 179.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -77.07 -29.52 55.08 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 -168.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.418 ' HB3' HD11 ' A' ' 88' ' ' LEU . 0.2 OUTLIER -91.15 24.7 2.76 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.108 0.963 . . . . 0.0 113.546 -167.543 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -28.31 104.02 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 126.017 1.727 . . . . 0.0 114.851 -169.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 178.08 -52.8 0.01 OUTLIER 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 127.536 2.334 . . . . 0.0 107.029 -178.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.486 ' H ' HD22 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -49.38 -39.75 33.4 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.467 1.107 . . . . 0.0 113.447 175.313 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 29.4 mtmm -78.02 -7.98 57.59 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.631 -0.668 . . . . 0.0 112.76 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.269 2.33 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 176.496 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mpp? . . . . . 0 N--CA 1.448 -0.525 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.64 -120.63 0.05 OUTLIER 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.495 1.118 . . . . 0.0 109.726 -178.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -64.66 157.67 72.46 Favored Pre-proline 0 CA--C 1.537 0.468 0 O-C-N 121.208 -0.932 . . . . 0.0 110.762 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -43.25 -44.78 10.04 Favored 'Trans proline' 0 CA--C 1.536 0.61 0 C-N-CA 123.733 2.955 . . . . 0.0 113.975 175.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 82.3 mt -56.53 -39.58 73.62 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.27 0.628 . . . . 0.0 111.649 177.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -74.56 -46.96 35.46 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 176.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -50.32 -37.84 38.71 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.534 0.733 . . . . 0.0 111.64 176.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.42 -42.97 71.11 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.829 -0.545 . . . . 0.0 111.797 173.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 25.2 mt -70.42 -43.83 77.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 174.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -40.93 -47.07 4.09 Favored Glycine 0 CA--C 1.527 0.81 0 C-N-CA 125.828 1.68 . . . . 0.0 112.236 170.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -53.25 -57.15 11.52 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.444 0.697 . . . . 0.0 109.271 176.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 78.5 mt -58.18 -47.05 84.63 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 122.861 0.464 . . . . 0.0 110.803 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 66.5 mt -52.16 -49.96 38.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 123.625 0.77 . . . . 0.0 109.918 177.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.92 -63.31 4.7 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 178.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.4 mp -52.65 -47.36 49.91 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.198 0 CA-C-O 117.737 -1.125 . . . . 0.0 111.032 -173.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -40.82 -71.04 0.09 Allowed 'General case' 0 C--N 1.342 0.242 0 CA-C-N 119.214 0.916 . . . . 0.0 109.414 176.069 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -79.18 -24.95 42.86 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 119.972 -0.691 . . . . 0.0 111.304 -169.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.45 -32.56 71.5 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 118.37 -1.332 . . . . 0.0 109.977 170.053 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -86.65 34.83 0.66 Allowed 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.913 1.685 . . . . 0.0 110.742 169.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' SER . . . . . 0.415 ' HA ' ' H ' ' B' ' 30' ' ' SER . 95.0 p -122.79 24.94 8.89 Favored 'General case' 0 CA--C 1.529 0.171 0 O-C-N 121.101 -0.999 . . . . 0.0 109.463 165.229 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 137.71 87.25 0.18 Allowed Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 107.328 -2.309 . . . . 0.0 107.328 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -41.99 -54.73 3.41 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 126.23 1.812 . . . . 0.0 109.617 174.149 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.6 pm0 -35.16 -41.94 0.17 Allowed 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 129.554 3.142 . . . . 0.0 113.923 169.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 131.42 56.86 0.09 OUTLIER Glycine 0 CA--C 1.527 0.787 0 C-N-CA 125.065 1.317 . . . . 0.0 111.425 175.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -120.58 161.14 21.84 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 169.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.06 110.3 6.91 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 126.748 2.019 . . . . 0.0 110.357 -168.335 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -173.55 -154.44 0.07 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 127.122 2.169 . . . . 0.0 107.225 171.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.89 162.57 6.72 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 125.391 1.476 . . . . 0.0 109.831 169.373 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 5.7 mp -68.44 91.38 0.4 Allowed 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -168.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.415 ' H ' ' HA ' ' B' ' 20' ' ' SER . 4.5 m -51.81 65.96 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 129.522 3.129 . . . . 0.0 118.091 -170.412 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 26.9 mttm 53.23 -76.92 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 115.859 1.8 . . . . 0.0 115.859 165.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.13 -36.44 72.95 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 121.916 0.865 . . . . 0.0 109.847 177.325 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -60.36 -48.97 79.47 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.039 173.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 18.7 tp -64.96 -40.95 95.77 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 -177.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -51.15 -50.16 59.46 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.272 0.629 . . . . 0.0 110.107 170.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -55.59 -49.42 72.8 Favored 'General case' 0 C--N 1.339 0.137 0 CA-C-N 118.585 0.63 . . . . 0.0 111.01 174.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.75 -46.3 74.31 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 124.029 0.932 . . . . 0.0 109.845 -175.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ILE . . . . . 0.411 HG22 HD12 ' B' ' 42' ' ' LEU . 1.2 pp -70.78 -36.06 63.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 O-C-N 121.956 -0.465 . . . . 0.0 111.839 177.24 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -56.56 -55.33 35.28 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 121.552 0.691 . . . . 0.0 109.353 176.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -92.28 -92.01 0.16 Allowed 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 126.538 1.935 . . . . 0.0 110.268 -169.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 41.3 mp0 -45.75 -51.89 11.89 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 124.892 1.277 . . . . 0.0 113.221 -171.016 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.411 HD12 HG22 ' B' ' 38' ' ' ILE . 9.1 mt -74.62 9.05 1.96 Allowed 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 113.731 1.011 . . . . 0.0 113.731 -171.566 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.17 95.0 1.23 Allowed 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 170.013 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 30.6 mm 69.63 -29.61 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 N-CA-C 115.33 1.604 . . . . 0.0 115.33 168.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.44 -78.94 0.82 Allowed Glycine 0 CA--C 1.525 0.718 0 O-C-N 120.56 -1.338 . . . . 0.0 110.058 -171.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 2.8 m -45.09 -49.54 11.64 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 126.238 1.815 . . . . 0.0 114.164 -168.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.86 -34.88 73.71 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -178.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 2.9 tm? 62.0 -71.14 0.05 OUTLIER 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.558 1.543 . . . . 0.0 113.42 -178.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 16.3 tp60 -36.65 -54.89 0.88 Allowed 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 126.696 1.998 . . . . 0.0 116.359 -167.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.29 172.61 1.06 Allowed 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -169.777 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . 120.15 -14.04 0.01 OUTLIER 'General case' 0 C--O 1.224 -0.249 0 C-N-CA 129.392 3.077 . . . . 0.0 113.117 169.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -64.13 -52.97 56.55 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-N 119.774 1.17 . . . . 0.0 110.587 -169.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 20.7 tt -55.18 -39.93 53.25 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.752 175.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 12.4 t -67.15 -40.37 85.08 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.329 0 CA-C-O 118.755 -0.641 . . . . 0.0 109.651 178.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -56.69 -32.49 65.49 Favored 'General case' 0 C--O 1.224 -0.258 0 C-N-CA 124.386 1.074 . . . . 0.0 111.007 -176.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 51.8 tp -45.98 -41.87 12.35 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 118.377 0.535 . . . . 0.0 110.823 170.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 66.5 mtt -84.15 -63.55 1.32 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.513 0.725 . . . . 0.0 109.567 172.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.424 ' C ' ' H ' ' B' ' 60' ' ' LEU . 0.3 OUTLIER -58.29 -0.82 0.1 Allowed 'General case' 0 CA--C 1.508 -0.656 0 C-N-CA 130.563 3.545 . . . . 0.0 115.754 -173.128 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.79 26.77 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.211 0 O-C-N 120.918 -1.114 . . . . 0.0 110.936 164.536 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.424 ' H ' ' C ' ' B' ' 58' ' ' ASP . 60.6 tp -47.26 -32.14 4.34 Favored 'General case' 0 C--N 1.343 0.325 0 O-C-N 118.542 -2.599 . . . . 0.0 110.601 169.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -36.66 -35.69 0.09 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 129.003 2.921 . . . . 0.0 110.544 167.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 11.8 ptp85 -42.16 -42.04 2.87 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.4 1.08 . . . . 0.0 111.965 176.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -43.87 -38.35 3.29 Favored 'General case' 0 C--N 1.34 0.153 0 C-N-CA 126.104 1.762 . . . . 0.0 112.262 178.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.78 54.52 1.5 Allowed 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.271 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 46.61 42.02 10.71 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.989 1.315 . . . . 0.0 112.673 172.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 56.25 28.38 13.18 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.865 1.266 . . . . 0.0 112.432 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -148.27 82.34 1.48 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 122.521 1.153 . . . . 0.0 109.077 -172.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 29.3 m -78.44 154.76 5.04 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.697 0 CA-C-N 114.462 -1.245 . . . . 0.0 113.885 -168.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -105.22 171.06 7.52 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 129.081 2.952 . . . . 0.0 107.453 168.158 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -48.44 -45.25 36.2 Favored 'General case' 0 C--N 1.343 0.285 0 C-N-CA 124.919 1.287 . . . . 0.0 112.854 -169.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -60.76 -55.44 33.15 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 -175.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -65.74 -49.85 66.91 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 -174.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -41.02 -53.85 2.9 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 126.033 1.733 . . . . 0.0 110.234 171.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 6.3 mm -65.04 -60.52 2.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-O 118.665 -0.683 . . . . 0.0 110.718 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 96.7 m -45.32 -48.47 13.16 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 122.687 1.232 . . . . 0.0 109.473 -174.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -56.54 -61.44 2.41 Favored 'General case' 0 N--CA 1.437 -1.077 0 C-N-CA 126.263 1.825 . . . . 0.0 112.42 174.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.0 -39.08 71.34 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 118.438 0.563 . . . . 0.0 110.466 -177.264 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.56 -51.36 59.29 Favored Glycine 0 CA--C 1.527 0.816 0 C-N-CA 124.847 1.213 . . . . 0.0 112.179 172.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.66 -51.09 64.27 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 117.017 0.409 . . . . 0.0 110.464 178.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.27 -44.58 91.28 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 120.49 0.186 . . . . 0.0 110.535 178.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.13 -47.63 68.52 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 124.063 0.945 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 63.8 mtm -55.41 -19.61 9.73 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 175.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 35.5 mm -89.15 -66.46 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-N 119.605 1.093 . . . . 0.0 109.428 173.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -83.47 -37.18 23.47 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 -169.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -90.81 27.38 1.8 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.992 1.717 . . . . 0.0 111.759 -169.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -46.08 159.1 0.08 Allowed 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 123.727 1.727 . . . . 0.0 115.131 -171.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . 120.8 34.95 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.535 1 C-N-CA 133.652 4.781 . . . . 0.0 105.804 -166.635 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.511 HD21 HG12 ' A' ' 13' ' ' ILE . 57.9 mt -133.2 -46.19 0.84 Allowed 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 127.551 2.341 . . . . 0.0 109.014 -167.676 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 14.1 mtmm -109.54 -59.79 1.86 Allowed 'General case' 0 CA--C 1.521 -0.152 0 N-CA-C 107.351 -1.351 . . . . 0.0 107.351 171.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.361 0 N-CA-C 110.247 -1.141 . . . . 0.0 110.247 168.311 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.5 ttp . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.655 -0.128 . . . . 0.0 110.655 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -135.69 -140.61 0.17 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.153 0.981 . . . . 0.0 109.587 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.7 p -74.33 162.22 74.74 Favored Pre-proline 0 CA--C 1.533 0.321 0 CA-C-N 119.792 1.178 . . . . 0.0 110.676 -170.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -49.7 -36.27 41.0 Favored 'Trans proline' 0 N--CA 1.454 -0.828 0 C-N-CA 122.324 2.016 . . . . 0.0 112.043 168.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.434 ' H ' HD12 ' A' ' 5' ' ' LEU . 5.7 mp -64.14 -47.94 77.95 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 177.066 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -57.24 -53.02 62.8 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 178.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.8 mm100 -52.53 -50.37 62.99 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 177.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.16 -61.0 2.69 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 119.135 -0.46 . . . . 0.0 111.059 -179.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 40.5 mm -53.59 -47.93 59.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-N 118.776 0.716 . . . . 0.0 110.417 -178.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.39 -50.91 28.43 Favored Glycine 0 CA--C 1.528 0.89 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 173.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 46.6 mt -62.23 -43.17 99.44 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 117.967 -1.016 . . . . 0.0 111.287 178.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.4 mt -58.16 -46.98 84.77 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 120.463 1.483 . . . . 0.0 110.153 -175.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 83.0 mt -68.33 -50.39 57.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 124.252 1.021 . . . . 0.0 109.986 177.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.09 -53.07 47.93 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 124.078 0.846 . . . . 0.0 112.088 -173.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.0 tt -65.48 -30.34 49.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 O-C-N 121.928 -0.748 . . . . 0.0 111.051 -174.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -44.65 -65.76 0.48 Allowed 'General case' 0 C--O 1.225 -0.234 0 C-N-CA 123.901 0.88 . . . . 0.0 113.091 -169.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -79.61 -8.21 59.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 118.856 -0.592 . . . . 0.0 111.759 178.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 tpmp? -71.12 -54.11 12.22 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 174.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -76.54 88.21 3.26 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 106.288 -1.745 . . . . 0.0 106.288 176.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.3 p 174.82 -35.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 128.892 2.877 . . . . 0.0 106.335 -169.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 134.67 -71.09 0.5 Allowed Glycine 0 C--N 1.341 0.806 0 N-CA-C 110.048 -1.221 . . . . 0.0 110.048 178.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.25 115.24 5.34 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.025 0.93 . . . . 0.0 108.723 -169.602 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.88 -35.34 2.76 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 126.606 1.962 . . . . 0.0 115.358 -169.285 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.67 -71.57 0.69 Allowed Glycine 0 CA--C 1.528 0.851 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 -174.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.6 p30 -91.68 -55.1 3.61 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 125.699 1.599 . . . . 0.0 110.465 -172.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -76.53 141.34 41.24 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 123.613 0.765 . . . . 0.0 110.21 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -142.93 -46.06 0.31 Allowed 'General case' 0 C--O 1.225 -0.2 0 C-N-CA 124.565 1.146 . . . . 0.0 109.99 -176.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.31 142.43 55.53 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 125.18 1.392 . . . . 0.0 112.064 -175.181 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.0 mt -67.75 82.67 0.19 Allowed 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 125.708 1.603 . . . . 0.0 109.416 -177.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.1 m -69.59 77.72 0.42 Allowed 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 125.205 1.402 . . . . 0.0 112.83 -169.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.284 0.1 OUTLIER 50.08 -72.68 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 128.68 2.792 . . . . 0.0 114.953 170.042 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.74 -25.7 68.04 Favored 'General case' 0 N--CA 1.453 -0.285 0 O-C-N 121.277 -0.889 . . . . 0.0 109.851 175.258 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -72.73 -46.25 54.51 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -56.62 -52.02 66.46 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 173.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.07 -38.54 57.52 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.784 0.834 . . . . 0.0 111.542 176.716 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -62.65 -59.39 4.97 Favored 'General case' 0 C--O 1.232 0.156 0 O-C-N 121.046 -1.034 . . . . 0.0 109.875 175.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.86 -55.42 14.36 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 124.542 1.137 . . . . 0.0 111.119 -175.357 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.8 tt -66.0 -44.9 92.04 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.534 -175.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -69.6 -47.13 64.56 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 -174.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -90.68 -53.13 4.54 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -169.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -91.0 -54.34 4.0 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 -165.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.0 mt -49.91 -75.88 0.03 OUTLIER 'General case' 0 C--O 1.233 0.208 0 N-CA-C 116.469 2.026 . . . . 0.0 116.469 -165.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 66.2 p -53.29 -18.89 2.74 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 116.032 1.864 . . . . 0.0 116.032 -166.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 23.8 pt -97.4 -6.39 9.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -175.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -46.49 117.2 2.71 Favored Glycine 0 CA--C 1.535 1.282 0 CA-C-N 119.348 0.976 . . . . 0.0 111.043 179.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.763 ' OG ' ' OXT' ' A' ' 90' ' ' GLY . 17.2 m 67.99 -58.37 0.45 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.244 1.817 . . . . 0.0 112.876 -171.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -58.66 -40.89 84.77 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 125.993 1.717 . . . . 0.0 114.171 -169.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.2 mt 53.19 -138.19 1.15 Allowed 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 105.686 -1.968 . . . . 0.0 105.686 -164.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 36.45 58.8 1.02 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.522 1.529 . . . . 0.0 113.614 166.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -91.67 179.91 5.52 Favored 'General case' 0 N--CA 1.461 0.095 0 O-C-N 122.347 -0.221 . . . . 0.0 110.787 -177.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -158.13 154.52 27.58 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.316 0.646 . . . . 0.0 109.345 178.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -49.14 -45.82 44.31 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.586 0.754 . . . . 0.0 110.663 177.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 37.1 pt -60.73 -38.11 77.83 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.737 0 C-N-CA 123.763 0.825 . . . . 0.0 111.706 176.024 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 97.4 t -68.55 -45.9 81.02 Favored 'Isoleucine or valine' 0 C--N 1.34 0.191 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -39.9 94.47 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.082 179.371 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.5 tp -58.63 -47.33 84.73 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 123.16 0.584 . . . . 0.0 109.966 175.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 44.3 tpp -58.64 -51.89 67.99 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 121.088 0.47 . . . . 0.0 110.255 177.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.88 -33.82 57.58 Favored 'General case' 0 C--N 1.333 -0.109 0 C-N-CA 123.801 0.84 . . . . 0.0 112.079 173.298 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.06 5.96 0.45 Allowed 'General case' 0 C--O 1.22 -0.484 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 175.545 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 60.9 tp -54.23 -21.23 8.5 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 119.702 -1.874 . . . . 0.0 111.112 167.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -60.34 -16.23 33.06 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 169.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . 0.253 0.0 OUTLIER -29.03 -27.6 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 129.136 2.974 . . . . 0.0 117.921 -168.646 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -44.12 -44.81 7.85 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 116.907 -1.521 . . . . 0.0 111.007 168.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.0 mttp 32.81 58.8 0.43 Allowed 'General case' 0 CA--C 1.535 0.391 0 O-C-N 124.614 1.196 . . . . 0.0 110.161 169.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.25 29.31 0.05 Allowed 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 125.606 1.562 . . . . 0.0 114.64 -165.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 63.37 153.24 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 128.201 2.6 . . . . 0.0 112.236 -175.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 37.46 49.98 1.04 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.853 1.661 . . . . 0.0 112.412 173.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 32.9 m -74.96 157.34 6.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-O 121.328 0.585 . . . . 0.0 110.721 -171.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -106.94 168.75 8.98 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.022 1.729 . . . . 0.0 110.834 -169.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -56.48 -37.27 70.13 Favored 'General case' 0 C--O 1.219 -0.542 0 C-N-CA 123.747 0.819 . . . . 0.0 111.697 -173.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.57 -57.03 14.12 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 119.513 1.052 . . . . 0.0 110.174 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -54.95 -59.99 3.98 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 -177.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -45.57 -60.74 2.02 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 126.087 1.755 . . . . 0.0 111.087 177.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 8.0 tp -68.87 -37.36 77.26 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.229 0 C-N-CA 123.768 0.827 . . . . 0.0 110.744 -170.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 56.9 m -63.54 -48.94 75.45 Favored 'General case' 0 CA--C 1.528 0.101 0 CA-C-N 118.603 0.638 . . . . 0.0 109.448 178.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -52.11 -56.73 12.58 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.481 0.712 . . . . 0.0 110.737 171.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.43 -37.88 27.28 Favored 'General case' 0 C--O 1.222 -0.392 0 C-N-CA 124.208 1.003 . . . . 0.0 111.436 174.229 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.4 -51.79 20.53 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.46 -1.056 . . . . 0.0 110.46 174.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.31 -55.97 25.71 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 117.781 0.791 . . . . 0.0 110.316 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 65.9 mt -51.88 -49.71 62.45 Favored 'General case' 0 C--O 1.223 -0.29 0 C-N-CA 123.31 0.644 . . . . 0.0 110.166 -176.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.43 ' HB1' ' CD2' ' A' ' 88' ' ' LEU . . . -73.2 -45.06 58.51 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 125.295 1.438 . . . . 0.0 111.372 -172.058 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -49.69 -53.11 26.41 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 173.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 92.6 mt -68.36 -58.04 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 O-C-N 124.594 1.184 . . . . 0.0 109.876 -175.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.415 ' CE1' ' HA ' ' A' ' 81' ' ' ALA 0.401 0.0 OUTLIER -71.61 -18.94 62.18 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 -169.377 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 -90.98 -100.57 0.11 Allowed 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 104.293 -2.484 . . . . 0.0 104.293 166.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 178.35 84.0 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.249 0 C-N-CA 129.254 3.022 . . . . 0.0 103.293 166.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 53.2 58.0 5.7 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 107.267 -1.382 . . . . 0.0 107.267 -167.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.43 ' CD2' ' HB1' ' A' ' 81' ' ' ALA 0.253 7.2 mt 55.33 4.29 0.09 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.358 1.863 . . . . 0.0 115.562 -174.133 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 32.9 mtmm -76.38 78.74 3.12 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 121.747 2.067 . . . . 0.0 109.985 175.23 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.763 ' OXT' ' OG ' ' A' ' 46' ' ' SER . . . . . . . . 0 C--O 1.269 2.336 0 N-CA-C 109.848 -1.301 . . . . 0.0 109.848 -178.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 86.6 mmm . . . . . 0 CA--C 1.534 0.337 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 73.83 41.96 0.4 Allowed 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 126.605 1.962 . . . . 0.0 108.649 -169.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.73 173.44 4.75 Favored Pre-proline 0 CA--C 1.534 0.36 0 C-N-CA 125.257 1.423 . . . . 0.0 108.367 177.681 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_exo -51.39 -52.79 8.28 Favored 'Trans proline' 0 N--CA 1.454 -0.813 0 C-N-CA 122.756 2.304 . . . . 0.0 113.959 -174.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 83.1 mt -69.09 -51.27 40.42 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 122.17 -0.331 . . . . 0.0 110.938 -172.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.84 -48.46 78.0 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.387 0.675 . . . . 0.0 110.727 175.472 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 13.3 tp60 -56.89 -44.32 82.17 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 122.016 -0.427 . . . . 0.0 110.559 175.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.81 -50.65 72.61 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 118.374 0.534 . . . . 0.0 110.866 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 22.3 mt -58.36 -46.45 89.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 177.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.3 -50.26 47.57 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.301 -0.719 . . . . 0.0 111.301 175.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 47.9 tp -63.33 -55.91 20.76 Favored 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 121.768 -0.843 . . . . 0.0 110.263 -178.273 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 85.7 mt -63.59 -69.15 0.29 Allowed 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 -178.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 4.1 mm -90.54 -24.5 5.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-O 118.148 -0.929 . . . . 0.0 112.798 -169.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.23 -50.7 43.33 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 108.782 -1.727 . . . . 0.0 108.782 -179.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 32.2 mt -61.72 -50.22 81.14 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 C-N-CA 122.646 0.378 . . . . 0.0 111.363 175.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -28.94 -76.17 0.02 OUTLIER 'General case' 0 C--N 1.341 0.204 0 C-N-CA 126.325 1.85 . . . . 0.0 114.234 -166.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -76.16 -17.9 59.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.409 -172.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm -67.55 -35.56 79.29 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 118.765 0.711 . . . . 0.0 110.225 -173.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -74.88 72.72 2.09 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-O 123.142 1.449 . . . . 0.0 108.609 175.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 7.0 t -175.72 -31.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 128.005 2.522 . . . . 0.0 108.248 -168.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.23 -64.8 2.76 Favored Glycine 0 C--N 1.34 0.762 0 N-CA-C 108.68 -1.768 . . . . 0.0 108.68 -173.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.411 ' HZ3' ' HB3' ' B' ' 22' ' ' LYS . 9.0 mtpm? -80.18 59.53 3.37 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 123.588 0.755 . . . . 0.0 109.788 177.752 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -59.11 -36.17 74.7 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -177.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -39.43 -69.64 0.4 Allowed Glycine 0 CA--C 1.527 0.832 0 C-N-CA 126.29 1.9 . . . . 0.0 112.401 177.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 33.1 p-10 -91.89 -56.25 3.16 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 117.919 0.859 . . . . 0.0 110.131 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 21.7 ttpp -75.16 71.51 2.2 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 121.823 0.821 . . . . 0.0 108.869 178.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -53.62 -33.5 55.27 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.26 0.624 . . . . 0.0 110.831 170.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 5.3 p -74.43 148.08 41.45 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.372 1.069 . . . . 0.0 111.788 -177.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.465 ' N ' HD12 ' B' ' 29' ' ' LEU . 2.0 mp -85.54 138.72 32.01 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 104.912 -2.255 . . . . 0.0 104.912 169.514 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.31 165.59 20.22 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 119.095 -1.042 . . . . 0.0 108.915 170.197 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.518 ' HZ2' ' CG ' ' B' ' 61' ' ' ASP . 31.3 mttm -75.84 62.52 1.57 Allowed 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 121.958 0.885 . . . . 0.0 110.191 178.341 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -163.31 -58.36 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 126.942 2.097 . . . . 0.0 105.411 -175.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -56.23 -45.38 79.97 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 169.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 53.4 tp -56.91 -43.08 81.01 Favored 'General case' 0 C--N 1.343 0.322 0 C-N-CA 120.649 -0.42 . . . . 0.0 111.194 -179.164 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.25 -29.43 9.55 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.457 0.703 . . . . 0.0 111.847 178.511 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -82.5 -59.61 2.47 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 118.631 0.651 . . . . 0.0 109.987 178.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 tt -42.1 -53.6 3.9 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 125.302 1.441 . . . . 0.0 111.017 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 13.4 tt -61.21 -24.61 33.83 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.671 0 CA-C-N 114.779 -1.1 . . . . 0.0 112.481 -169.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -84.46 -59.87 2.25 Favored 'General case' 0 N--CA 1.45 -0.462 0 O-C-N 121.627 -0.67 . . . . 0.0 110.902 -177.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 13.2 mtmm -93.13 -61.88 1.49 Allowed 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 121.422 0.63 . . . . 0.0 112.416 -171.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 39.0 mp0 -55.61 -21.71 18.98 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 126.924 2.089 . . . . 0.0 116.026 -166.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 68.6 mt -65.13 27.01 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 116.699 2.111 . . . . 0.0 116.699 -176.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 39.6 m 69.49 -80.61 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.159 0 O-C-N 120.44 -1.413 . . . . 0.0 112.125 168.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 20.6 tt -59.51 -41.36 84.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 169.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -54.48 -24.24 30.38 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.955 174.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 4.3 m -72.64 -9.83 59.07 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 117.982 0.891 . . . . 0.0 112.111 -178.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 3.6 ttpm? -58.74 -47.87 83.14 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 168.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 2.0 tp 69.55 165.45 0.27 Allowed 'General case' 0 C--O 1.235 0.323 0 C-N-CA 124.104 0.962 . . . . 0.0 108.48 -173.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 53.53 51.45 15.2 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 -167.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -108.64 -55.06 2.44 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 126.803 2.041 . . . . 0.0 107.156 -177.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . 158.84 62.84 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 128.549 2.74 . . . . 0.0 107.731 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -54.12 -31.52 52.38 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.12 0.968 . . . . 0.0 113.306 -169.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 38.5 mm -67.23 -43.6 88.16 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 C-N-CA 123.521 0.729 . . . . 0.0 110.444 174.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 58.5 t -68.2 -46.16 81.66 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.2 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 178.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -48.95 -51.52 29.87 Favored 'General case' 0 C--O 1.225 -0.226 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 172.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 35.2 tp -55.5 -50.81 68.96 Favored 'General case' 0 C--O 1.223 -0.321 0 O-C-N 121.904 -0.497 . . . . 0.0 110.772 174.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 26.9 ttt -56.38 -27.41 56.1 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.48 ' C ' ' H ' ' B' ' 60' ' ' LEU . 73.9 m-20 -73.93 6.69 3.12 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 174.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -64.24 26.41 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.569 1.148 . . . . 0.0 111.078 163.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.48 ' H ' ' C ' ' B' ' 58' ' ' ASP . 3.4 pp -41.54 -27.42 0.09 Allowed 'General case' 0 C--N 1.345 0.405 0 C-N-CA 130.891 3.676 . . . . 0.0 114.604 -169.537 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.518 ' CG ' ' HZ2' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -44.44 -24.17 0.16 Allowed 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.998 1.319 . . . . 0.0 111.58 166.657 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 25.2 ttp85 -47.94 -13.16 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 127.585 2.354 . . . . 0.0 112.994 169.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -31.79 -44.45 0.08 Allowed 'General case' 0 C--N 1.343 0.299 0 C-N-CA 126.479 1.912 . . . . 0.0 110.834 165.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 106.99 -29.06 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 129.896 3.278 . . . . 0.0 110.848 173.153 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.3 9.93 3.46 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.281 1.432 . . . . 0.0 112.063 -168.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -156.42 163.44 39.45 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 125.729 1.611 . . . . 0.0 107.607 -178.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -121.1 151.3 40.02 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 168.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 6.7 t -63.03 102.27 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.186 0 O-C-N 123.668 0.605 . . . . 0.0 110.627 -167.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -100.34 -179.26 4.06 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 169.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -55.09 -39.66 69.55 Favored 'General case' 0 N--CA 1.449 -0.504 0 O-C-N 121.941 -0.474 . . . . 0.0 110.84 -176.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.59 -57.51 11.65 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 118.298 0.499 . . . . 0.0 111.803 175.076 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 57.1 mp0 -56.41 -54.42 45.83 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 -177.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -47.23 -52.24 16.51 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.349 1.06 . . . . 0.0 110.656 176.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 2.6 mm -55.15 -46.59 77.69 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.426 0 CA-C-O 117.334 -1.317 . . . . 0.0 110.88 -175.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 3.6 m -30.78 -61.02 0.19 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.603 1.161 . . . . 0.0 113.803 -169.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.15 -43.48 64.58 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 119.018 -0.515 . . . . 0.0 111.808 -179.432 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 4.5 mp -51.34 -47.92 62.58 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-N 119.004 0.82 . . . . 0.0 110.294 174.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.77 -57.3 20.51 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 177.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.81 -45.34 59.39 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.128 0.571 . . . . 0.0 112.044 -178.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 61.3 mt -81.27 -39.97 24.43 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.212 0.605 . . . . 0.0 110.897 -176.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.19 -36.08 67.98 Favored 'General case' 0 CA--C 1.521 -0.154 0 C-N-CA 125.251 1.421 . . . . 0.0 110.847 176.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.27 -43.15 1.09 Allowed 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.989 0.916 . . . . 0.0 110.1 169.402 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.9 mp -89.72 -70.23 0.56 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 C-N-CA 124.07 0.948 . . . . 0.0 109.669 173.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -60.94 -25.54 66.86 Favored 'General case' 0 C--N 1.341 0.213 0 N-CA-C 116.188 1.921 . . . . 0.0 116.188 -165.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -60.29 -59.25 5.71 Favored 'General case' 0 C--O 1.226 -0.146 0 CA-C-N 119.498 1.045 . . . . 0.0 110.108 -172.389 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -177.61 39.32 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 127.132 2.173 . . . . 0.0 108.151 175.547 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . 49.04 33.87 5.12 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.388 -0.82 . . . . 0.0 109.58 -166.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 61.9 mt 51.88 30.95 7.69 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 126.882 2.073 . . . . 0.0 114.425 -172.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 2.4 mtmp? -96.87 -84.03 0.37 Allowed 'General case' 0 C--N 1.341 0.208 0 CA-C-N 119.78 1.173 . . . . 0.0 109.39 173.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.429 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -174.713 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.603 0.239 . . . . 0.0 111.629 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.27 48.81 1.05 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.884 0.873 . . . . 0.0 111.919 -173.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -172.56 131.1 0.64 Allowed Pre-proline 0 CA--C 1.532 0.285 0 C-N-CA 126.394 1.878 . . . . 0.0 106.71 175.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -44.71 -54.13 4.42 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 123.65 2.9 . . . . 0.0 114.258 -176.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 80.0 mt -62.5 -48.14 80.89 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 122.055 -0.403 . . . . 0.0 110.789 -177.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -59.76 -39.12 83.76 Favored 'General case' 0 C--O 1.223 -0.304 0 C-N-CA 122.675 0.39 . . . . 0.0 110.448 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -65.22 -46.65 79.79 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.475 0.71 . . . . 0.0 110.578 175.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.03 -61.95 2.18 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.986 0.914 . . . . 0.0 110.318 -178.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 65.4 mt -58.39 -37.01 61.26 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 174.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.71 -35.11 11.31 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-O 118.001 -1.444 . . . . 0.0 113.414 171.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 22.5 mt -58.59 -34.59 71.27 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 120.556 2.178 . . . . 0.0 111.71 175.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mp -63.56 -58.23 7.63 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.585 0.63 . . . . 0.0 109.665 -175.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.3 mt -68.51 -29.71 44.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-N 118.414 0.552 . . . . 0.0 110.839 173.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.93 -62.88 5.73 Favored Glycine 0 C--O 1.222 -0.602 0 C-N-CA 124.822 1.201 . . . . 0.0 111.223 -178.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 65.8 mt -52.38 -45.88 45.75 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-N 118.01 0.905 . . . . 0.0 109.961 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -49.49 -73.99 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.582 1.153 . . . . 0.0 110.883 171.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -79.52 0.02 31.46 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 116.021 1.86 . . . . 0.0 116.021 -172.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.6 tttt -51.91 -53.84 36.27 Favored 'General case' 0 CA--C 1.527 0.085 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 167.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -68.09 -27.19 66.28 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.498 -0.774 . . . . 0.0 112.022 -176.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.4 m -74.4 -5.54 42.98 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 118.896 -0.573 . . . . 0.0 112.439 170.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.19 -38.61 26.05 Favored Glycine 0 CA--C 1.528 0.905 0 CA-C-N 119.335 0.97 . . . . 0.0 112.42 -174.149 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.3 pttm -59.25 -31.16 68.82 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 177.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -89.45 -32.31 17.29 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 123.191 0.596 . . . . 0.0 111.393 169.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.21 -45.52 2.57 Favored Glycine 0 CA--C 1.531 1.037 0 C-N-CA 124.829 1.204 . . . . 0.0 111.426 -171.078 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -50.42 152.54 1.83 Allowed 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 115.281 1.585 . . . . 0.0 115.281 -170.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.56 -12.61 10.44 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 127.024 2.13 . . . . 0.0 115.349 178.11 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.473 ' CG ' ' H ' ' A' ' 28' ' ' THR . 1.9 p80 -58.14 -90.26 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 117.062 2.245 . . . . 0.0 117.062 -169.045 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.473 ' H ' ' CG ' ' A' ' 27' ' ' HIS . 9.6 p -153.75 171.55 18.7 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 126.273 1.829 . . . . 0.0 107.162 -165.571 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.1 pp -103.84 142.02 35.11 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 104.589 -2.375 . . . . 0.0 104.589 165.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 97.2 p -83.99 46.57 1.2 Allowed 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.117 -0.989 . . . . 0.0 113.282 -165.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.318 0.0 OUTLIER 64.2 -48.19 0.29 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 127.672 2.389 . . . . 0.0 116.913 173.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.08 -47.24 83.81 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 120.784 1.629 . . . . 0.0 109.012 -176.188 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -51.55 -29.26 16.36 Favored 'General case' 0 N--CA 1.44 -0.946 0 C-N-CA 125.178 1.391 . . . . 0.0 112.174 175.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.69 -37.09 77.87 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.454 -0.779 . . . . 0.0 109.893 176.542 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 43.1 mmtt -66.27 -15.83 63.53 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.618 -0.676 . . . . 0.0 112.46 175.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -90.64 -43.73 9.97 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 122.143 0.973 . . . . 0.0 110.267 174.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.7 tt -49.36 -54.98 14.51 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.409 1.884 . . . . 0.0 110.399 172.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 15.0 tt -55.42 -46.14 78.47 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 O-C-N 121.682 -0.636 . . . . 0.0 111.935 -176.059 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.9 mm100 -58.82 -57.65 12.1 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 122.552 0.341 . . . . 0.0 111.147 -172.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.9 mtmm -91.55 -64.74 1.08 Allowed 'General case' 0 N--CA 1.457 -0.125 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 -174.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.2 mp0 -60.65 -44.86 95.93 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 118.583 -0.723 . . . . 0.0 111.809 -171.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.3 mt -79.66 14.96 1.48 Allowed 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.695 1.134 . . . . 0.0 113.076 174.213 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m 72.0 -70.06 0.17 Allowed 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 125.187 1.395 . . . . 0.0 114.406 167.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 34.4 mt 68.62 -56.7 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 128.982 2.913 . . . . 0.0 109.991 -169.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 49.34 -103.01 0.07 OUTLIER Glycine 0 CA--C 1.528 0.865 0 C-N-CA 126.83 2.157 . . . . 0.0 112.528 175.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.1 p -64.76 -33.0 74.94 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 124.273 1.029 . . . . 0.0 111.186 -178.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -82.68 48.43 1.32 Allowed 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.046 0.539 . . . . 0.0 111.147 -169.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.52 44.97 0.46 Allowed 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 123.768 0.827 . . . . 0.0 113.115 -173.451 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -178.66 -60.44 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 126.804 2.042 . . . . 0.0 107.102 177.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.0 t0 55.58 172.57 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 128.036 2.535 . . . . 0.0 114.617 175.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.42 155.18 31.99 Favored 'General case' 0 CA--C 1.527 0.071 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -174.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -59.69 -38.36 81.35 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.639 1.176 . . . . 0.0 110.711 -177.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 46.0 pt -52.39 -35.42 20.03 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.783 0 O-C-N 122.1 -0.375 . . . . 0.0 110.881 169.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.5 t -73.92 -39.28 51.38 Favored 'Isoleucine or valine' 0 C--N 1.339 0.132 0 O-C-N 121.574 -0.704 . . . . 0.0 110.649 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -55.37 -41.59 72.8 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 120.091 -0.643 . . . . 0.0 109.789 169.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.73 -44.69 96.42 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 118.919 -0.562 . . . . 0.0 111.686 173.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 30.8 mmt -54.78 -55.32 31.35 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 119.286 0.948 . . . . 0.0 110.498 176.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -48.38 -58.6 4.37 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.964 0.888 . . . . 0.0 110.401 173.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.3 5.39 1.74 Allowed 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 118.466 -1.293 . . . . 0.0 112.997 -172.623 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 43.6 tp -56.69 -20.33 21.19 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 120.369 -1.457 . . . . 0.0 109.457 166.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -48.17 -26.69 2.01 Favored 'General case' 0 C--N 1.345 0.391 0 C-N-CA 124.073 0.949 . . . . 0.0 112.723 168.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.31 -21.34 14.43 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.291 1.436 . . . . 0.0 112.953 174.578 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -27.66 -75.71 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 126.663 1.985 . . . . 0.0 115.953 -169.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.92 43.5 2.26 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 119.606 1.094 . . . . 0.0 108.16 168.643 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.9 t0 8.79 53.74 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 130.706 3.602 . . . . 0.0 115.954 -168.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 173.18 175.48 0.11 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 128.528 2.731 . . . . 0.0 106.05 175.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 33.92 78.03 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 126.895 2.078 . . . . 0.0 113.173 169.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.1 m -91.17 127.84 43.32 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 174.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -93.66 171.03 9.14 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 126.987 2.115 . . . . 0.0 109.834 -179.175 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -51.83 -48.49 63.91 Favored 'General case' 0 C--O 1.217 -0.623 0 C-N-CA 123.716 0.806 . . . . 0.0 110.915 -175.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.65 -51.0 30.54 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.721 0.808 . . . . 0.0 111.748 177.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -60.4 -58.79 6.98 Favored 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 121.689 -0.632 . . . . 0.0 109.612 177.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -51.41 -44.18 62.17 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.378 1.071 . . . . 0.0 112.113 -177.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 8.7 tp -78.3 -39.8 24.67 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 O-C-N 121.418 -0.801 . . . . 0.0 108.847 -173.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 42.9 m -50.58 -47.77 57.9 Favored 'General case' 0 C--N 1.345 0.371 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 169.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -50.16 -67.52 0.25 Allowed 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 124.828 1.251 . . . . 0.0 110.968 175.216 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -38.87 -48.41 1.55 Allowed 'General case' 0 C--O 1.223 -0.303 0 C-N-CA 124.716 1.206 . . . . 0.0 111.863 171.246 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.49 -56.41 23.72 Favored Glycine 0 CA--C 1.525 0.698 0 C-N-CA 124.63 1.11 . . . . 0.0 111.457 178.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.39 -56.54 20.23 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -178.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -53.9 -49.74 67.92 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 122.978 0.511 . . . . 0.0 110.204 -177.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.71 -53.15 42.42 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-N 118.723 0.692 . . . . 0.0 111.255 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 71.0 mtp -55.32 -29.58 58.56 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 118.438 0.563 . . . . 0.0 112.413 177.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 71.8 mt -91.17 -38.08 10.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 C-N-CA 125.616 1.567 . . . . 0.0 112.486 -169.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 14.6 p90 -93.85 -48.63 6.2 Favored 'General case' 0 C--N 1.341 0.211 0 C-N-CA 124.134 0.974 . . . . 0.0 113.007 174.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -78.36 27.39 0.2 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.299 1.439 . . . . 0.0 113.005 -170.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.421 ' CD ' ' HZ1' ' A' ' 89' ' ' LYS . 22.0 tp10 -19.73 91.59 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 129.438 3.095 . . . . 0.0 113.616 -177.298 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -179.2 -46.87 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 126.0 1.72 . . . . 0.0 108.734 -173.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.616 ' H ' HD12 ' A' ' 88' ' ' LEU . 5.9 mp -50.6 -37.13 38.36 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.331 1.052 . . . . 0.0 110.068 172.246 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.421 ' HZ1' ' CD ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -149.83 142.69 24.75 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 104.305 -2.48 . . . . 0.0 104.305 169.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.366 0 N-CA-C 110.372 -1.091 . . . . 0.0 110.372 175.547 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.0 ppp? . . . . . 0 N--CA 1.451 -0.407 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 59.33 25.73 14.45 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.742 1.217 . . . . 0.0 111.833 -169.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 54.7 p -80.9 179.53 1.87 Allowed Pre-proline 0 CA--C 1.538 0.514 0 C-N-CA 126.518 1.927 . . . . 0.0 108.414 175.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_exo -47.99 129.59 18.45 Favored 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 122.354 2.036 . . . . 0.0 113.134 -174.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 37.9 mt 74.35 -50.31 0.68 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 127.513 2.325 . . . . 0.0 112.113 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.97 -32.49 33.73 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.197 0.999 . . . . 0.0 110.241 171.16 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -44.28 -23.8 0.13 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.166 1.787 . . . . 0.0 114.763 169.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.43 -51.1 64.87 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 120.802 1.637 . . . . 0.0 110.764 169.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ILE . . . . . 0.43 HD12 ' H ' ' B' ' 9' ' ' ILE . 4.5 mp -60.23 -47.08 93.6 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 173.435 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -44.8 -49.19 9.05 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 124.309 0.957 . . . . 0.0 112.147 172.086 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 63.1 tp -62.72 -47.97 81.27 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 117.93 0.865 . . . . 0.0 110.215 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 96.1 mt -57.06 -44.7 83.26 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 118.412 0.551 . . . . 0.0 111.104 177.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 94.4 mt -60.25 -42.5 90.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 123.278 0.631 . . . . 0.0 109.842 174.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.37 -61.3 7.37 Favored Glycine 0 CA--C 1.524 0.613 0 C-N-CA 124.655 1.122 . . . . 0.0 110.54 176.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 35.8 mm -53.11 -52.81 26.55 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 CA-C-N 117.786 0.793 . . . . 0.0 109.716 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -42.21 -65.44 0.46 Allowed 'General case' 0 C--N 1.339 0.146 0 C-N-CA 123.693 0.797 . . . . 0.0 110.87 172.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . 0.4 1.1 m-70 -79.53 3.27 19.28 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 115.559 1.688 . . . . 0.0 115.559 -177.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.33 -32.49 62.83 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 106.037 -1.838 . . . . 0.0 106.037 163.684 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -102.28 42.0 1.18 Allowed 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 126.417 1.887 . . . . 0.0 109.925 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 57.3 m -67.59 -14.89 63.33 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 116.409 2.003 . . . . 0.0 116.409 -172.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.41 68.31 0.74 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 105.038 -3.225 . . . . 0.0 105.038 -165.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 26.2 mtmm -56.46 -51.01 70.06 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 125.592 1.557 . . . . 0.0 113.07 -168.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.4 ' OE1' ' NZ ' ' B' ' 32' ' ' LYS . 0.0 OUTLIER -106.07 -58.53 1.9 Allowed 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 127.002 2.121 . . . . 0.0 110.138 -167.389 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.54 -72.79 0.52 Allowed Glycine 0 CA--C 1.528 0.863 0 C-N-CA 124.617 1.103 . . . . 0.0 111.635 -172.072 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -163.8 152.08 13.26 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 107.032 -1.469 . . . . 0.0 107.032 169.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.71 115.82 31.16 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.521 1.528 . . . . 0.0 112.613 -166.313 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 1.1 p80 179.33 -36.06 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.337 1.055 . . . . 0.0 113.569 174.106 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 3.1 p -136.14 170.76 15.5 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 -169.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 11.9 mt -73.35 73.94 1.35 Allowed 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.085 -1.079 . . . . 0.0 108.085 169.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 47.1 m -67.99 72.34 0.17 Allowed 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.771 1.228 . . . . 0.0 113.165 -174.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 21.8 mttm 67.51 -70.25 0.12 Allowed 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 127.211 2.204 . . . . 0.0 113.476 168.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.498 ' H ' ' HD3' ' B' ' 32' ' ' LYS . 0.0 OUTLIER -62.67 -50.53 70.82 Favored 'General case' 0 C--O 1.226 -0.181 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 -174.534 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 0.441 ' CD ' ' H ' ' B' ' 33' ' ' GLU . 0.4 OUTLIER -47.6 -44.06 26.23 Favored 'General case' 0 N--CA 1.462 0.136 0 C-N-CA 125.484 1.513 . . . . 0.0 110.821 172.183 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.4 -45.97 85.3 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 -179.182 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 39.9 mmtt -66.64 -30.15 70.35 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 120.864 -1.148 . . . . 0.0 112.363 176.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -50.5 -43.35 55.6 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.086 1.754 . . . . 0.0 108.577 168.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.35 -58.86 4.02 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.301 1.441 . . . . 0.0 111.321 171.224 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . 0.255 1.4 pt -56.49 -46.02 82.19 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.561 0 CA-C-N 118.356 0.525 . . . . 0.0 112.409 -168.304 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -68.92 -40.68 78.91 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 118.51 -1.276 . . . . 0.0 109.715 -169.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -92.83 -86.77 0.24 Allowed 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 -172.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 37.1 mp0 -78.11 -27.81 48.44 Favored 'General case' 0 C--N 1.341 0.199 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 -165.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -29.22 -61.85 0.13 Allowed 'General case' 0 C--N 1.34 0.18 0 N-CA-C 117.218 2.303 . . . . 0.0 117.218 -168.335 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 12.3 t -151.48 129.98 12.18 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 -166.307 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 6.0 pt -140.19 -112.3 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 N-CA-C 106.876 -1.527 . . . . 0.0 106.876 169.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 34.52 -118.52 0.27 Allowed Glycine 0 CA--C 1.528 0.887 0 C-N-CA 125.365 1.46 . . . . 0.0 112.363 177.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 22.7 m -100.72 26.77 6.46 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -174.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 4.5 tmtp? -62.38 -39.29 92.7 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 169.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 58.4 tp 63.93 -78.13 0.03 OUTLIER 'General case' 0 C--N 1.34 0.166 0 C-N-CA 126.574 1.95 . . . . 0.0 110.916 172.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 18.0 tp60 -82.55 66.97 8.41 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 176.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -87.53 -136.15 0.09 Allowed 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 167.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . 97.21 147.42 0.02 OUTLIER 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 128.643 2.777 . . . . 0.0 108.525 -169.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -52.74 -39.22 61.96 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.412 1.085 . . . . 0.0 110.029 176.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 38.7 mm -47.41 -43.38 8.52 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 C-N-CA 124.232 1.013 . . . . 0.0 110.62 170.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 38.1 t -86.37 -30.16 6.08 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.257 0 CA-C-O 118.544 -0.741 . . . . 0.0 111.349 178.089 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -58.28 -24.73 60.44 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 120.28 1.4 . . . . 0.0 111.03 171.037 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.28 -29.95 25.63 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.698 -0.626 . . . . 0.0 111.062 169.267 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 25.2 ttt -76.21 -52.16 10.61 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.193 -0.942 . . . . 0.0 109.89 169.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.25 -12.37 2.31 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 176.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -65.93 -1.67 3.23 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.715 0.806 . . . . 0.0 111.366 167.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -56.85 -6.53 0.34 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.489 1.516 . . . . 0.0 114.946 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -52.46 -24.55 8.14 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 122.258 1.027 . . . . 0.0 109.448 163.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 35.1 ttm-85 -47.55 -27.99 2.06 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 125.411 1.484 . . . . 0.0 112.896 170.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -47.85 -34.89 9.42 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.258 0.623 . . . . 0.0 112.09 173.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -119.07 50.73 1.19 Allowed 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 107.818 -1.179 . . . . 0.0 107.818 175.581 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 16.3 t0 28.93 51.92 0.07 Allowed 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 126.394 1.878 . . . . 0.0 112.873 -175.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 57.9 29.63 17.88 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.451 -0.78 . . . . 0.0 111.03 168.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -127.87 57.56 1.53 Allowed 'General case' 0 C--O 1.234 0.288 0 C-N-CA 124.985 1.314 . . . . 0.0 109.293 -169.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 32.1 m -91.24 132.38 35.91 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 CA-C-O 121.158 0.504 . . . . 0.0 111.163 -169.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -85.8 175.52 8.63 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.189 1.396 . . . . 0.0 107.696 168.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -52.81 -44.7 66.84 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 119.372 0.987 . . . . 0.0 111.939 -172.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -54.93 -50.94 67.62 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 118.291 0.496 . . . . 0.0 109.766 178.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -68.59 -47.4 66.84 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.231 1.012 . . . . 0.0 109.805 -172.273 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -49.66 -52.12 33.2 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 124.558 1.143 . . . . 0.0 109.664 169.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 11.8 mm -61.56 -51.7 69.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 CA-C-O 118.688 -0.673 . . . . 0.0 110.096 -178.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 90.5 m -49.8 -49.97 46.64 Favored 'General case' 0 CA--C 1.523 -0.064 0 CA-C-N 119.397 0.999 . . . . 0.0 110.117 177.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -56.82 -53.93 52.18 Favored 'General case' 0 N--CA 1.445 -0.689 0 C-N-CA 124.549 1.14 . . . . 0.0 111.372 179.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 78.0 mt -54.53 -58.97 5.42 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 173.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -34.32 -51.56 0.72 Allowed Glycine 0 CA--C 1.528 0.854 0 C-N-CA 127.731 2.586 . . . . 0.0 113.918 173.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.23 -42.02 76.64 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 117.823 0.812 . . . . 0.0 111.444 -179.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 48.7 mt -82.77 -29.58 29.56 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.095 0.558 . . . . 0.0 110.578 178.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -49.67 -57.81 6.51 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 125.411 1.484 . . . . 0.0 113.229 -168.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 67.9 mmm -66.6 -12.57 58.58 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.771 0.714 . . . . 0.0 112.786 -178.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 36.0 mt -84.32 -62.37 1.5 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 171.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -90.25 -43.36 10.44 Favored 'General case' 0 C--N 1.339 0.109 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 -169.434 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -87.04 27.91 0.97 Allowed 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 127.034 2.134 . . . . 0.0 112.911 -166.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.518 ' HB2' ' OXT' ' B' ' 90' ' ' GLY . 10.1 pt-20 -45.85 -30.21 1.62 Allowed 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 119.355 0.979 . . . . 0.0 111.629 172.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.1 -26.57 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 127.454 2.301 . . . . 0.0 113.778 169.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 21.2 mt -39.39 -39.39 0.66 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.186 1.394 . . . . 0.0 111.238 168.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -152.74 -27.88 0.15 Allowed 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 114.56 1.319 . . . . 0.0 114.56 176.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 90' ' ' GLY . . . . . 0.518 ' OXT' ' HB2' ' B' ' 86' ' ' GLU . . . . . . . . 0 C--O 1.27 2.37 0 C-N-CA 125.646 1.593 . . . . 0.0 110.827 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.3 mtm . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.76 -0.089 . . . . 0.0 110.76 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.17 -84.14 0.58 Allowed 'General case' 0 C--N 1.339 0.121 0 C-N-CA 123.529 0.732 . . . . 0.0 109.838 -177.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.0 m -158.97 145.19 12.41 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 105.823 -1.917 . . . . 0.0 105.823 171.247 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -43.3 -58.32 1.42 Allowed 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 123.712 2.941 . . . . 0.0 114.763 -169.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -39.47 89.54 Favored 'General case' 0 CA--C 1.53 0.21 0 O-C-N 122.003 -0.436 . . . . 0.0 112.087 -175.447 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -64.08 -54.55 32.24 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -48.74 -53.02 20.63 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 126.028 1.731 . . . . 0.0 109.92 175.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.61 -60.18 4.08 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -179.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 22.5 mm -54.19 -48.87 65.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 -177.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -51.65 -53.57 28.6 Favored Glycine 0 CA--C 1.526 0.779 0 C-N-CA 124.357 0.98 . . . . 0.0 111.648 174.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -58.4 -55.23 37.73 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.01 0.905 . . . . 0.0 109.566 -177.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 12' ' ' LEU . 3.8 mm? -59.21 -52.16 66.9 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.645 0.378 . . . . 0.0 111.083 -176.122 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 49.7 mt -61.8 -42.82 95.97 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 118.121 0.419 . . . . 0.0 110.02 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.67 -59.61 9.91 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 111.696 -0.562 . . . . 0.0 111.696 -178.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.1 mt -53.73 -41.96 49.68 Favored 'Isoleucine or valine' 0 C--N 1.341 0.205 0 CA-C-O 118.143 -0.932 . . . . 0.0 111.869 -169.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -32.14 -68.36 0.09 Allowed 'General case' 0 C--N 1.342 0.259 0 C-N-CA 124.828 1.251 . . . . 0.0 110.079 172.293 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -91.1 10.41 26.97 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -169.571 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.6 tttt -53.18 -42.03 65.82 Favored 'General case' 0 C--N 1.342 0.251 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 170.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -73.42 83.07 1.45 Allowed 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 169.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.2 m 138.93 11.58 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.614 1 C-N-CA 131.898 4.079 . . . . 0.0 111.057 -172.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 68.58 19.96 73.41 Favored Glycine 0 CA--C 1.527 0.835 0 O-C-N 121.043 -1.035 . . . . 0.0 112.347 178.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.2 ttpp 54.14 44.42 29.21 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.913 0.885 . . . . 0.0 111.049 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.0 -68.15 0.21 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 126.273 1.829 . . . . 0.0 114.505 -169.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -139.36 15.38 3.2 Favored Glycine 0 CA--C 1.53 1.007 0 C-N-CA 125.997 1.76 . . . . 0.0 111.054 173.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 58.27 34.9 24.51 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 126.638 1.975 . . . . 0.0 111.446 -179.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -146.93 74.97 1.37 Allowed 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 -168.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 22.0 p80 179.07 151.17 0.32 Allowed 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 124.513 1.125 . . . . 0.0 109.592 166.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.76 154.61 32.77 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.518 1.127 . . . . 0.0 109.27 168.401 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -104.66 -177.42 3.36 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 167.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 79.0 p -113.04 162.03 16.38 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 168.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.54 -28.27 53.79 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -171.623 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.2 pttm -66.26 -29.97 70.32 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 118.288 -0.863 . . . . 0.0 112.4 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -70.73 -51.92 24.24 Favored 'General case' 0 C--N 1.342 0.242 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 169.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -50.45 -46.59 56.79 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.433 -175.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -41.72 -43.03 2.74 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.845 1.658 . . . . 0.0 112.5 174.284 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.08 -41.85 27.75 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 117.873 0.306 . . . . 0.0 111.229 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.9 tt -57.73 -59.9 4.5 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 125.307 1.443 . . . . 0.0 110.459 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.416 HG23 ' N ' ' A' ' 39' ' ' GLN . 18.2 tt -54.26 -57.74 5.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 C-N-CA 124.599 1.159 . . . . 0.0 111.571 -169.494 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.416 ' N ' HG23 ' A' ' 38' ' ' ILE . 0.4 OUTLIER -81.59 -31.69 32.43 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -168.555 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.6 mtmm -77.88 -55.58 5.19 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 118.335 -1.346 . . . . 0.0 110.001 -178.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -91.99 -57.44 2.72 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -169.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -70.79 -56.98 5.12 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 -167.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 68.7 p -76.3 101.17 5.37 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -168.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 19.2 mt -78.11 59.92 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 N-CA-C 106.508 -1.664 . . . . 0.0 106.508 167.089 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 46.7 -129.03 11.48 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 106.331 -2.708 . . . . 0.0 106.331 -165.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.7 m -129.51 44.67 2.93 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 104.933 -2.247 . . . . 0.0 104.933 167.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . 0.324 0.0 OUTLIER 49.3 48.23 21.34 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.332 1.453 . . . . 0.0 110.651 -165.71 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.8 mm? 63.22 170.61 0.15 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.957 1.703 . . . . 0.0 111.414 -176.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 57.7 47.11 16.23 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.964 0.906 . . . . 0.0 109.264 -169.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.44 171.16 14.25 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 125.237 1.415 . . . . 0.0 111.445 -178.708 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -147.4 92.12 2.06 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.615 1.166 . . . . 0.0 109.108 174.189 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -46.45 -43.3 16.43 Favored 'General case' 0 C--O 1.225 -0.199 0 C-N-CA 124.679 1.192 . . . . 0.0 112.492 -178.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.9 mp -55.77 -46.98 79.96 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 123.178 0.591 . . . . 0.0 109.823 176.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 64.7 t -67.35 -45.84 85.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 -176.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -58.7 -42.85 89.57 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 117.705 0.229 . . . . 0.0 110.914 177.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.1 tp -61.82 -46.03 91.27 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.831 0.453 . . . . 0.0 110.256 177.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 50.8 ttm -58.66 -53.35 59.29 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 177.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -53.69 -43.87 69.27 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.348 1.859 . . . . 0.0 110.83 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.401 ' HA ' ' CD1' ' A' ' 76' ' ' PHE . 10.6 t70 -56.02 -70.83 0.1 Allowed 'General case' 0 C--O 1.224 -0.273 0 CA-C-O 121.25 0.548 . . . . 0.0 110.632 170.012 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 97.2 mt -55.73 -39.07 70.61 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 123.929 0.892 . . . . 0.0 112.628 -169.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -45.1 -34.55 2.65 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 123.85 0.86 . . . . 0.0 111.844 174.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 26.5 ptt-85 -41.94 -40.03 2.04 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.79 1.236 . . . . 0.0 114.297 -175.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -43.75 24.08 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.812 1 C-N-CA 133.414 4.686 . . . . 0.0 120.787 -168.358 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -88.31 -8.09 55.7 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 120.54 -1.35 . . . . 0.0 112.505 -169.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -105.72 -63.52 1.24 Allowed 'General case' 0 C--N 1.342 0.275 0 CA-C-N 119.498 1.045 . . . . 0.0 109.089 173.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -154.08 -61.53 0.13 Allowed 'General case' 0 CA--C 1.522 -0.096 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -169.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -164.27 -59.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -168.21 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.4 p -160.49 83.89 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 124.472 1.109 . . . . 0.0 110.13 168.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -97.34 174.89 6.47 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.818 2.047 . . . . 0.0 108.985 168.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -53.47 -53.58 49.29 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 120.289 1.404 . . . . 0.0 111.235 -176.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -47.41 -37.75 12.02 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 124.171 0.988 . . . . 0.0 111.294 175.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -77.2 -65.72 0.92 Allowed 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 -176.148 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -36.52 -56.26 0.81 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.991 2.117 . . . . 0.0 112.658 173.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 10.1 tp -60.53 -25.48 34.7 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 C-N-CA 123.56 0.744 . . . . 0.0 112.301 -175.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 94.8 m -49.17 -64.8 0.7 Allowed 'General case' 0 C--N 1.342 0.282 0 C-N-CA 124.063 0.945 . . . . 0.0 111.439 -170.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.401 ' CD1' ' HA ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER -73.15 -40.31 64.97 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.074 -176.335 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -37.62 -48.52 1.04 Allowed 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.853 0.861 . . . . 0.0 111.025 169.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -51.6 -62.45 5.52 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 123.616 0.627 . . . . 0.0 112.608 173.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.24 -48.44 81.44 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.817 0.818 . . . . 0.0 110.822 -175.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -54.93 -49.56 71.02 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 124.089 0.956 . . . . 0.0 109.613 177.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.9 -54.22 49.08 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 119.224 0.92 . . . . 0.0 110.707 174.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 11.6 tmm? -44.76 -50.6 10.02 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.587 1.555 . . . . 0.0 110.3 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 84.1 mt -80.91 -54.75 9.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 123.887 0.875 . . . . 0.0 111.261 -173.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . 0.351 0.1 OUTLIER -73.13 -27.11 61.49 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -168.653 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -70.29 -45.35 66.49 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 118.795 -1.162 . . . . 0.0 111.666 -169.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 178.57 -170.78 0.11 Allowed 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 129.931 3.292 . . . . 0.0 104.622 -175.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -78.03 56.5 1.62 Allowed 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 119.477 1.035 . . . . 0.0 108.353 169.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.441 HD13 ' CZ ' ' B' ' 16' ' ' PHE . 11.7 mt 59.51 53.9 4.87 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 124.89 1.276 . . . . 0.0 109.261 -168.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.7 130.69 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.808 1.643 . . . . 0.0 109.766 -173.072 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.411 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 -169.122 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.537 0.443 0 N-CA-C 112.513 0.561 . . . . 0.0 112.513 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.8 -105.03 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.224 0.61 . . . . 0.0 110.99 -174.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 66.7 m -70.79 157.22 90.73 Favored Pre-proline 0 CA--C 1.535 0.388 0 CA-C-O 118.528 -0.749 . . . . 0.0 109.974 -179.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -42.97 -41.34 8.98 Favored 'Trans proline' 0 CA--C 1.535 0.542 0 C-N-CA 124.116 3.211 . . . . 0.0 115.738 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 59.3 tp -67.42 -43.29 81.6 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.103 0.561 . . . . 0.0 110.858 176.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -67.13 -36.7 82.46 Favored 'General case' 0 C--O 1.222 -0.349 0 O-C-N 122.104 -0.372 . . . . 0.0 110.151 178.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -58.39 -51.86 68.04 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.148 0.579 . . . . 0.0 109.754 170.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.39 -58.72 6.58 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 122.613 0.365 . . . . 0.0 111.21 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 96.4 mt -54.46 -45.22 69.95 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 175.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.68 -44.33 23.17 Favored Glycine 0 CA--C 1.522 0.499 0 C-N-CA 126.619 2.056 . . . . 0.0 112.186 175.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -62.65 -49.59 74.55 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 118.939 1.37 . . . . 0.0 110.124 176.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 64.1 mt -57.59 -42.6 83.47 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 120.69 0.281 . . . . 0.0 110.32 179.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 82.2 mt -63.76 -42.57 96.38 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 C-N-CA 123.403 0.681 . . . . 0.0 109.648 174.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -41.15 -66.67 0.88 Allowed Glycine 0 C--N 1.334 0.442 0 C-N-CA 126.242 1.877 . . . . 0.0 109.58 169.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 29.5 mm -60.48 -33.86 55.92 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 123.976 0.91 . . . . 0.0 110.999 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.441 ' CZ ' HD13 ' A' ' 88' ' ' LEU . 5.1 t80 -51.7 -48.12 63.66 Favored 'General case' 0 C--O 1.225 -0.216 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 178.491 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . 0.31 0.1 OUTLIER -93.52 21.79 5.94 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 115.919 1.822 . . . . 0.0 115.919 169.669 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -61.78 -33.62 74.42 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 104.728 -2.323 . . . . 0.0 104.728 163.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' TYR . . . . . 0.527 ' CE1' ' CB ' ' B' ' 37' ' ' LEU . 81.2 m-85 -65.53 108.82 2.14 Favored 'General case' 0 N--CA 1.439 -0.984 0 N-CA-C 105.604 -1.999 . . . . 0.0 105.604 164.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 19.1 m 89.48 12.99 0.06 Allowed 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 127.685 2.394 . . . . 0.0 112.577 -168.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 74.97 -42.08 1.31 Allowed Glycine 0 CA--C 1.531 1.052 0 C-N-CA 125.236 1.398 . . . . 0.0 114.981 169.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.66 163.42 38.57 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 124.382 1.073 . . . . 0.0 110.605 -167.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -62.35 175.92 0.69 Allowed 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 127.352 2.261 . . . . 0.0 108.649 169.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 62.09 74.98 0.34 Allowed Glycine 0 N--CA 1.449 -0.474 0 N-CA-C 105.923 -2.871 . . . . 0.0 105.923 -168.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -163.01 -173.26 3.37 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 123.079 0.552 . . . . 0.0 110.444 -171.086 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -67.77 108.1 2.84 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 175.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 21.5 m170 -75.3 64.49 1.5 Allowed 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 171.007 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 159.61 115.52 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 131.565 3.946 . . . . 0.0 105.025 -176.455 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -94.61 129.24 41.54 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 -168.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 70.7 m -89.17 163.48 15.42 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 123.281 0.632 . . . . 0.0 109.426 175.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -45.25 -43.26 10.27 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -53.75 53.71 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 122.632 0.373 . . . . 0.0 110.965 -174.393 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -53.84 -49.1 69.19 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 170.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.24 -43.45 64.33 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 111.949 0.352 . . . . 0.0 111.949 -175.192 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.18 -23.37 3.26 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.19 0.996 . . . . 0.0 112.634 179.068 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -55.1 15.06 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 119.538 1.063 . . . . 0.0 111.28 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.527 ' CB ' ' CE1' ' B' ' 19' ' ' TYR 0.287 0.4 OUTLIER -90.93 -39.82 12.06 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -169.209 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 13.9 pt -53.62 -35.36 25.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -167.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -54.23 -27.87 37.51 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 178.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 44.1 tttm -81.27 -58.81 2.88 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 122.795 0.438 . . . . 0.0 110.08 170.068 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -68.28 -25.94 65.4 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 114.85 1.426 . . . . 0.0 114.85 -166.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 96.7 mt -69.34 26.78 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.361 1.464 . . . . 0.0 113.3 175.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -54.56 9.09 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 128.745 2.818 . . . . 0.0 118.265 -167.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 5.4 mt 74.52 -51.19 0.22 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.177 0 C-N-CA 128.912 2.885 . . . . 0.0 113.802 167.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.83 -72.42 0.53 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -169.561 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 14.2 m -166.45 97.51 0.58 Allowed 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.599 1.159 . . . . 0.0 109.644 -174.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' LYS . . . . . 0.425 ' NZ ' ' OD2' ' B' ' 50' ' ' ASP . 0.0 OUTLIER 53.22 60.69 3.58 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.845 0.858 . . . . 0.0 111.605 168.393 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 8.6 tt -129.29 -65.3 0.86 Allowed 'General case' 0 N--CA 1.461 0.11 0 C-N-CA 124.138 0.975 . . . . 0.0 108.64 175.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 24.6 mm100 -77.42 67.8 3.42 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 125.016 1.326 . . . . 0.0 107.621 172.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.425 ' OD2' ' NZ ' ' B' ' 47' ' ' LYS . 78.3 m-20 -64.63 79.32 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.261 1.824 . . . . 0.0 112.11 -173.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . 28.17 -89.05 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 127.957 2.503 . . . . 0.0 114.208 169.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 40.9 tp10 -39.62 -54.48 2.01 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.537 1.535 . . . . 0.0 111.625 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 14.2 pt -90.48 8.49 3.65 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -172.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 2.6 t -43.52 -51.01 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-N 119.857 1.208 . . . . 0.0 113.388 -171.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -67.45 -31.71 72.07 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 122.87 0.106 . . . . 0.0 110.807 -175.165 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -72.77 -48.95 34.04 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 175.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 11.7 tpt -58.19 -41.28 83.61 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 -178.141 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -49.65 -62.63 1.45 Allowed 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.154 1.381 . . . . 0.0 110.259 170.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.97 -15.34 60.18 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -172.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 23.4 tp -66.84 -61.21 2.07 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 124.401 1.081 . . . . 0.0 109.835 -175.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -52.26 -43.26 64.27 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 122.579 0.352 . . . . 0.0 110.906 -171.047 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' ARG . . . . . 0.449 ' CD ' HG22 ' B' ' 68' ' ' VAL . 5.5 ptt-85 -78.03 -99.6 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.0 -0.545 . . . . 0.0 112.061 -174.666 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -86.55 0.55 54.12 Favored 'General case' 0 C--O 1.224 -0.246 0 O-C-N 121.057 -1.027 . . . . 0.0 113.242 -167.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 14.8 mmtm 65.77 51.13 1.46 Allowed 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 -169.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . 0.33 6.4 t0 60.48 97.84 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 128.575 2.75 . . . . 0.0 114.6 -169.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -178.15 -164.63 0.08 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.165 1.386 . . . . 0.0 108.942 174.427 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -74.28 176.14 6.95 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.642 0.777 . . . . 0.0 109.522 -178.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.449 HG22 ' CD ' ' B' ' 62' ' ' ARG . 5.2 t -128.88 125.81 63.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -167.702 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -94.04 171.2 9.0 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.033 0.933 . . . . 0.0 110.735 169.213 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -57.08 -48.77 77.79 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-O 119.229 -0.415 . . . . 0.0 110.43 -177.06 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 7.9 tm0? -52.57 -51.21 60.85 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -54.93 -62.96 1.32 Allowed 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 118.205 0.457 . . . . 0.0 110.218 176.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -43.64 -58.33 2.72 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.961 0.904 . . . . 0.0 110.639 -179.122 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 11.3 tp -69.96 -41.33 79.39 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 O-C-N 122.119 -0.363 . . . . 0.0 110.346 -170.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 87.3 m -63.73 -47.48 80.89 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 -178.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -58.18 -60.33 3.91 Favored 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 125.577 1.551 . . . . 0.0 110.883 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 22.7 mt -59.02 -36.73 75.47 Favored 'General case' 0 C--O 1.225 -0.196 0 O-C-N 122.096 -0.378 . . . . 0.0 110.366 177.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.85 -48.69 76.45 Favored Glycine 0 CA--C 1.526 0.72 0 C-N-CA 124.048 0.833 . . . . 0.0 111.203 174.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.12 -49.6 73.76 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 117.811 0.806 . . . . 0.0 109.856 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 46.1 mt -57.52 -47.28 82.39 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 178.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.9 -49.68 76.72 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.198 0.999 . . . . 0.0 110.705 178.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 30.1 ttp -50.78 -55.4 16.96 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.892 0.877 . . . . 0.0 109.879 175.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 89.0 mt -58.27 -54.24 35.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 123.086 0.555 . . . . 0.0 110.064 -178.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . 0.351 2.0 p90 -81.61 -6.37 58.94 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 -173.406 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -85.34 -108.21 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 105.791 -1.929 . . . . 0.0 105.791 166.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 175.56 -60.76 0.01 OUTLIER 'General case' 0 C--O 1.236 0.361 0 C-N-CA 127.552 2.341 . . . . 0.0 108.711 168.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -37.04 -43.62 0.48 Allowed 'General case' 0 C--O 1.225 -0.185 0 C-N-CA 127.455 2.302 . . . . 0.0 113.868 -167.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.589 ' H ' HD12 ' B' ' 88' ' ' LEU . 6.4 mp -51.29 -36.59 43.08 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 124.561 1.144 . . . . 0.0 111.811 -172.357 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? -172.38 -62.14 0.02 OUTLIER 'General case' 0 CA--C 1.52 -0.185 0 C-N-CA 125.628 1.571 . . . . 0.0 106.897 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.371 0 N-CA-C 107.579 -2.208 . . . . 0.0 107.579 169.672 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.539 0.548 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 90.62 35.33 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 127.948 2.499 . . . . 0.0 111.747 177.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.63 175.6 0.61 Allowed Pre-proline 0 CA--C 1.542 0.66 0 C-N-CA 125.406 1.483 . . . . 0.0 109.233 168.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -52.53 -70.78 0.05 OUTLIER 'Trans proline' 0 CA--C 1.542 0.909 0 C-N-CA 121.954 1.769 . . . . 0.0 114.232 -176.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 78.9 mt -63.69 -52.56 60.1 Favored 'General case' 0 C--O 1.226 -0.168 0 O-C-N 121.526 -0.734 . . . . 0.0 109.694 -177.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -31.64 -61.51 0.22 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 127.806 2.442 . . . . 0.0 111.851 169.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -60.38 -49.27 78.25 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.667 1.187 . . . . 0.0 111.352 -179.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.28 -48.77 80.33 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 118.225 0.466 . . . . 0.0 110.907 -178.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 93.1 mt -53.02 -56.91 5.73 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 C-N-CA 124.646 1.178 . . . . 0.0 108.324 174.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.6 -51.26 12.8 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 124.459 1.028 . . . . 0.0 111.924 176.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.1 tt -57.52 -52.61 64.69 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.686 0.794 . . . . 0.0 110.244 178.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.2 mt -60.21 -48.09 83.22 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 122.72 0.408 . . . . 0.0 111.329 -176.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.3 mp -66.17 -39.4 84.24 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 177.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.07 -56.7 17.66 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.005 -1.238 . . . . 0.0 110.005 175.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.5 mt -59.38 -47.46 90.52 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 123.014 0.525 . . . . 0.0 110.277 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -45.61 -61.93 1.5 Allowed 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 119.001 0.819 . . . . 0.0 111.461 170.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . 0.284 0.1 OUTLIER -80.94 -36.87 30.4 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 -167.437 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -33.77 67.01 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 120.463 1.483 . . . . 0.0 112.201 -170.389 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -66.14 -4.19 7.03 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 112.856 0.688 . . . . 0.0 112.856 178.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.8 m -65.95 -10.38 38.53 Favored 'General case' 0 CA--C 1.538 0.481 0 O-C-N 121.624 -0.672 . . . . 0.0 110.939 167.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.88 -66.74 3.79 Favored Glycine 0 C--N 1.341 0.828 0 N-CA-C 107.08 -2.408 . . . . 0.0 107.08 -179.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.6 tttm -118.56 135.9 54.16 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 104.723 -2.325 . . . . 0.0 104.723 167.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -98.31 -167.03 1.44 Allowed 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 125.325 1.45 . . . . 0.0 108.052 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.1 -51.72 4.16 Favored Glycine 0 CA--C 1.529 0.907 0 O-C-N 121.359 -0.838 . . . . 0.0 111.146 -177.151 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.84 -85.31 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.028 0.931 . . . . 0.0 111.749 177.27 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -72.53 106.73 4.71 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 123.97 0.908 . . . . 0.0 110.183 -175.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 52.5 m170 -80.1 -39.19 30.12 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 124.36 1.064 . . . . 0.0 109.419 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.54 -178.04 5.63 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 128.034 2.534 . . . . 0.0 108.008 167.487 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.6 mp -138.09 132.21 31.7 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 119.423 1.01 . . . . 0.0 108.601 169.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.0 p -81.92 58.66 3.98 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 121.71 -0.619 . . . . 0.0 112.521 -169.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.4 ' NZ ' ' OE2' ' A' ' 67' ' ' GLU . 14.3 mtmm 61.86 -70.78 0.05 OUTLIER 'General case' 0 C--O 1.225 -0.188 0 C-N-CA 127.121 2.168 . . . . 0.0 113.361 176.499 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -40.22 -52.16 2.64 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 126.218 1.807 . . . . 0.0 110.24 -174.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.407 ' H ' ' CD ' ' A' ' 33' ' ' GLU . 30.7 mp0 -56.16 -43.73 78.62 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 125.364 1.465 . . . . 0.0 110.288 -177.04 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.7 mt -81.96 -29.01 32.41 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-O 117.53 -1.224 . . . . 0.0 111.549 176.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 45.5 tptt -57.78 -47.53 82.27 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 121.431 1.923 . . . . 0.0 109.713 177.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -44.16 -55.23 4.95 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.925 1.29 . . . . 0.0 110.83 170.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 tt -65.57 -74.24 0.11 Allowed 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 125.269 1.427 . . . . 0.0 111.806 -178.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.4 pp -42.95 -56.76 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 C-N-CA 126.991 2.116 . . . . 0.0 111.902 -167.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -61.32 -49.39 77.18 Favored 'General case' 0 N--CA 1.443 -0.821 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 -170.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.6 mtmm -77.01 -59.58 2.72 Favored 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 119.779 -0.768 . . . . 0.0 110.251 -173.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.4 ' OE1' ' NZ ' ' A' ' 47' ' ' LYS . 37.8 mm-40 -84.03 -28.69 27.48 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -167.164 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 31.8 mt -92.32 -63.0 1.29 Allowed 'General case' 0 C--N 1.339 0.133 0 CA-C-N 119.343 0.974 . . . . 0.0 112.049 178.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.8 p -59.89 156.33 14.63 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -167.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.26 10.0 tt 39.65 60.78 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.184 0 C-N-CA 126.865 2.066 . . . . 0.0 111.346 177.108 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 48.22 52.71 17.29 Favored Glycine 0 CA--C 1.527 0.805 0 CA-C-N 112.857 -1.974 . . . . 0.0 111.289 -179.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.1 m 60.84 64.44 1.15 Allowed 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.34 0.656 . . . . 0.0 111.323 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.4 ' NZ ' ' OE1' ' A' ' 41' ' ' GLU . 0.0 OUTLIER 54.3 42.25 31.56 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.497 1.519 . . . . 0.0 113.211 177.28 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 51.2 tp -60.7 -33.8 73.41 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 121.931 -0.48 . . . . 0.0 110.842 177.011 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -135.21 -57.5 0.8 Allowed 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.5 0.72 . . . . 0.0 111.399 178.117 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.4 t0 66.44 162.15 0.16 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.364 1.466 . . . . 0.0 110.174 -168.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -170.73 151.02 3.38 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 127.277 2.231 . . . . 0.0 107.086 176.19 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -52.54 -45.78 66.49 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 122.873 0.469 . . . . 0.0 109.893 178.047 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 41.0 mm -49.3 -50.25 16.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.614 171.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 65.7 t -63.78 -51.08 74.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 118.782 0.719 . . . . 0.0 109.79 -175.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -69.07 -17.69 63.91 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -176.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 69.0 mt -83.69 -43.45 15.53 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 118.44 0.564 . . . . 0.0 110.629 169.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 21.2 mmt -73.82 -45.92 48.39 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-O 119.471 -0.3 . . . . 0.0 111.733 -172.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 53.4 p-10 -29.24 -61.24 0.14 Allowed 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 126.074 1.75 . . . . 0.0 114.36 -173.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -61.85 -8.91 5.55 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -171.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 pp -51.06 -39.42 55.97 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 120.578 1.535 . . . . 0.0 113.203 -172.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -64.96 -39.2 93.12 Favored 'General case' 0 CA--C 1.529 0.14 0 O-C-N 121.631 -0.668 . . . . 0.0 110.379 177.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.7 mtp85 -73.84 25.57 0.07 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.597 1.959 . . . . 0.0 113.73 -169.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -89.04 -15.96 32.76 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.681 1.592 . . . . 0.0 113.613 -173.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.8 mttp -78.42 -44.51 24.6 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 123.959 0.903 . . . . 0.0 110.609 -167.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -115.58 96.27 5.55 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 172.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -40.85 -35.1 0.46 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 113.559 -1.655 . . . . 0.0 114.369 169.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.4 ' OE2' ' NZ ' ' A' ' 31' ' ' LYS . 26.8 mm-40 -100.39 46.68 0.95 Allowed 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 120.035 1.289 . . . . 0.0 110.39 178.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 8.3 m -16.09 83.77 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 C-N-CA 130.957 3.703 . . . . 0.0 115.7 -169.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -68.52 -178.89 1.21 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.149 1.38 . . . . 0.0 111.98 169.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -54.42 -43.71 71.78 Favored 'General case' 0 C--O 1.225 -0.227 0 C-N-CA 123.82 0.848 . . . . 0.0 111.692 -176.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.8 tm0? -49.79 -54.58 18.27 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-O 118.835 -0.602 . . . . 0.0 110.371 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -61.22 -57.86 10.69 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 118.756 0.707 . . . . 0.0 110.442 -178.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -41.55 -52.59 3.68 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.684 1.194 . . . . 0.0 111.475 177.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.1 tp -79.1 -41.79 23.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-O 118.629 -0.7 . . . . 0.0 111.419 -173.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 49.9 m -48.7 -54.77 13.54 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 119.342 0.974 . . . . 0.0 108.862 173.116 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -52.05 -55.67 19.2 Favored 'General case' 0 N--CA 1.442 -0.857 0 C-N-CA 125.513 1.525 . . . . 0.0 110.728 175.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.98 -44.92 51.19 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.671 0.669 . . . . 0.0 112.262 174.522 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.94 -51.98 53.9 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 123.987 0.803 . . . . 0.0 111.105 177.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.75 -54.36 47.17 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 122.489 -0.418 . . . . 0.0 110.115 176.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 74.8 mt -53.35 -46.06 69.37 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.201 1.0 . . . . 0.0 112.126 -178.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.62 -45.3 81.58 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 121.743 -0.598 . . . . 0.0 110.51 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 67.8 mtm -67.69 -8.12 32.56 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 175.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 85.8 mt -92.69 -69.9 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 168.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.5 p90 -80.8 -40.45 24.99 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -169.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -92.97 23.17 4.39 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 124.539 1.136 . . . . 0.0 111.549 -170.344 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -54.35 78.53 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 117.724 2.49 . . . . 0.0 117.724 -165.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -123.67 22.53 9.03 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 126.934 2.094 . . . . 0.0 108.178 164.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.4 mp -108.27 -63.14 1.36 Allowed 'General case' 0 C--N 1.341 0.22 0 C-N-CA 127.235 2.214 . . . . 0.0 110.874 -169.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.5 mtmm -80.77 -47.51 13.81 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 177.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.269 2.338 0 N-CA-C 107.096 -2.401 . . . . 0.0 107.096 168.88 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.6 tpt . . . . . 0 N--CA 1.45 -0.454 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -174.57 69.3 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.879 0.872 . . . . 0.0 110.348 -174.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' SER . . . . . 0.405 ' CB ' ' HB3' ' B' ' 6' ' ' ASP . 0.0 OUTLIER -86.86 158.67 53.15 Favored Pre-proline 0 N--CA 1.471 0.576 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 170.038 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -56.67 -55.36 2.79 Favored 'Trans proline' 0 N--CA 1.456 -0.734 0 C-N-CA 122.113 1.875 . . . . 0.0 110.978 173.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 68.6 mt -62.39 -49.68 74.57 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -179.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ASP . . . . . 0.405 ' HB3' ' CB ' ' B' ' 3' ' ' SER . 0.8 OUTLIER -48.08 -53.91 14.92 Favored 'General case' 0 C--O 1.225 -0.232 0 C-N-CA 124.707 1.203 . . . . 0.0 111.224 176.861 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -66.68 -42.69 86.11 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 121.861 -0.524 . . . . 0.0 111.889 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.11 -53.1 61.15 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 118.701 0.682 . . . . 0.0 110.401 177.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 62.3 mt -55.32 -43.71 72.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 172.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -40.73 -46.22 3.76 Favored Glycine 0 CA--C 1.525 0.703 0 C-N-CA 127.296 2.379 . . . . 0.0 113.162 173.097 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.9 mp -59.82 -48.37 81.97 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.988 1.394 . . . . 0.0 110.223 176.105 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.4 mp -62.81 -35.25 79.27 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.844 -0.535 . . . . 0.0 110.641 179.133 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 97.9 mt -61.19 -48.31 89.53 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 C-N-CA 123.935 0.894 . . . . 0.0 109.267 172.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.54 -40.44 69.86 Favored Glycine 0 CA--C 1.526 0.768 0 C-N-CA 124.639 1.114 . . . . 0.0 111.391 177.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 30.0 mm -70.15 -55.02 16.1 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 CA-C-N 117.437 0.618 . . . . 0.0 110.674 174.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.508 ' CZ ' ' CE1' ' B' ' 17' ' ' HIS . 5.3 t80 -39.61 -61.33 0.83 Allowed 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.006 1.322 . . . . 0.0 111.228 173.676 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' HIS . . . . . 0.508 ' CE1' ' CZ ' ' B' ' 16' ' ' PHE . 3.7 m-70 -90.2 21.3 3.84 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -178.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.63 -54.85 33.3 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 121.419 -0.8 . . . . 0.0 109.375 169.771 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -67.85 -33.63 75.13 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.077 -178.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 2.3 m -58.94 -27.05 64.95 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 120.804 0.335 . . . . 0.0 111.799 169.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.63 -42.09 94.01 Favored Glycine 0 CA--C 1.526 0.74 0 C-N-CA 123.711 0.672 . . . . 0.0 113.096 -168.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -53.43 -36.57 61.69 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 -174.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -106.21 -43.84 4.7 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 176.14 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 178.18 119.44 0.6 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.553 -1.019 . . . . 0.0 110.553 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -38.63 -50.15 1.59 Allowed 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 125.171 1.388 . . . . 0.0 112.719 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -72.86 65.31 0.72 Allowed 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.167 0.987 . . . . 0.0 113.36 -168.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 26.6 p80 -160.02 142.42 13.31 Favored 'General case' 0 CA--C 1.517 -0.324 0 O-C-N 121.246 -0.909 . . . . 0.0 113.07 165.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 3.4 p -38.98 145.56 0.09 Allowed 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 127.623 2.369 . . . . 0.0 111.527 171.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 35.8 mt -70.65 124.98 25.55 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 107.694 -1.225 . . . . 0.0 107.694 171.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -82.83 50.35 1.68 Allowed 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.894 0.878 . . . . 0.0 110.896 -169.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 34.1 mtmm 60.26 -68.93 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 126.898 2.079 . . . . 0.0 113.119 -175.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 45.1 tttm -55.32 -41.09 71.96 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.012 -1.055 . . . . 0.0 110.134 -178.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -53.54 -48.14 69.34 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 122.865 0.466 . . . . 0.0 110.524 174.192 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 37.0 tp -60.31 -43.03 96.7 Favored 'General case' 0 C--N 1.341 0.196 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 175.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 45.3 tptt -56.36 -52.33 64.99 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.2 0.455 . . . . 0.0 110.914 178.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -57.43 -43.93 84.25 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.469 -0.769 . . . . 0.0 111.568 175.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 tt -51.63 -51.5 55.26 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.916 0.886 . . . . 0.0 111.033 176.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.12 -45.09 91.29 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.101 0 O-C-N 121.083 -1.011 . . . . 0.0 111.282 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -53.54 -52.01 61.03 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.409 0.549 . . . . 0.0 110.56 177.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' LYS . . . . . 0.408 ' HZ3' ' CD ' ' B' ' 41' ' ' GLU . 18.6 ttpp -92.73 -95.01 0.14 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.6 0.76 . . . . 0.0 111.626 179.154 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.408 ' CD ' ' HZ3' ' B' ' 40' ' ' LYS . 23.5 mp0 -38.13 -53.09 1.44 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.431 1.892 . . . . 0.0 115.199 -168.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 20.0 mt -65.02 -26.8 68.43 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 119.555 1.07 . . . . 0.0 112.757 -174.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 8.4 p 80.89 144.42 0.08 Allowed 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 127.807 2.443 . . . . 0.0 109.222 -167.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 16.6 tt -146.95 -38.35 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 123.378 0.671 . . . . 0.0 111.782 -169.132 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 62.44 -121.97 26.81 Favored Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 178.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 26.1 t -47.63 -45.38 27.73 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.108 0.963 . . . . 0.0 112.101 -172.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -75.88 5.31 6.6 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.29 0.636 . . . . 0.0 112.066 -173.275 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 33.9 tp -51.75 -49.31 62.83 Favored 'General case' 0 C--N 1.344 0.34 0 CA-C-N 119.413 1.006 . . . . 0.0 110.748 173.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -77.68 54.88 1.27 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 126.501 1.92 . . . . 0.0 110.411 -176.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -72.44 155.07 40.5 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.738 1.215 . . . . 0.0 113.303 -168.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -92.92 130.77 38.4 Favored 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 125.442 1.497 . . . . 0.0 109.375 -179.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' GLU . . . . . 0.471 ' CD ' ' HZ3' ' B' ' 55' ' ' LYS . 3.0 mm-40 -47.49 -46.37 27.11 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 119.623 1.101 . . . . 0.0 112.807 -169.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 79.6 mt -56.77 -44.66 82.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 176.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.4 t -77.24 -28.13 16.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 O-C-N 122.008 -0.432 . . . . 0.0 110.284 -177.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.471 ' HZ3' ' CD ' ' B' ' 52' ' ' GLU . 50.8 mttp -57.64 -47.78 81.29 Favored 'General case' 0 C--N 1.341 0.197 0 O-C-N 121.349 -0.844 . . . . 0.0 109.018 172.224 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 63.3 tp -60.45 -47.56 85.58 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 123.378 0.424 . . . . 0.0 110.03 174.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 26.5 ttt -56.5 -54.85 40.93 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -177.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -31.97 -66.9 0.11 Allowed 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 126.146 1.778 . . . . 0.0 113.192 -169.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -35.82 -48.41 0.56 Allowed 'General case' 0 C--O 1.223 -0.301 0 C-N-CA 125.91 1.684 . . . . 0.0 112.051 -178.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 33.9 mt -61.97 -11.96 16.05 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 127.162 2.185 . . . . 0.0 114.041 -167.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.41 -38.6 43.78 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 165.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.77 20.4 4.77 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 177.044 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -24.67 -81.21 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 128.215 2.606 . . . . 0.0 114.057 -168.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.66 -74.27 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.787 1.635 . . . . 0.0 112.139 176.097 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 174.16 142.08 0.04 OUTLIER 'General case' 0 N--CA 1.436 -1.131 0 C-N-CA 131.089 3.756 . . . . 0.0 103.146 -177.058 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 32.96 -112.7 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 127.307 2.243 . . . . 0.0 113.175 166.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -91.08 165.17 13.66 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.843 0.857 . . . . 0.0 113.071 -168.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 46.8 t -98.21 114.25 35.13 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 C-N-CA 125.67 1.588 . . . . 0.0 112.458 -165.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -82.91 173.7 11.58 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 125.165 1.386 . . . . 0.0 109.774 168.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -56.84 -45.12 82.57 Favored 'General case' 0 C--O 1.221 -0.413 0 O-C-N 122.157 -0.339 . . . . 0.0 110.383 -177.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.1 tm0? -50.65 -50.28 54.92 Favored 'General case' 0 C--O 1.222 -0.363 0 C-N-CA 122.719 0.408 . . . . 0.0 110.598 176.249 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -63.67 -54.42 36.01 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 124.251 1.02 . . . . 0.0 109.797 -173.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -49.19 -46.8 46.12 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.799 0.839 . . . . 0.0 110.153 172.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 6.9 mm -64.36 -57.81 9.89 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 CA-C-O 118.375 -0.821 . . . . 0.0 111.101 -177.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 99.1 m -43.76 -51.57 7.17 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 124.468 1.107 . . . . 0.0 109.216 -178.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -58.54 -57.14 14.25 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 113.499 -1.682 . . . . 0.0 111.793 178.151 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.97 -39.24 77.68 Favored 'General case' 0 C--O 1.222 -0.347 0 O-C-N 121.851 -0.53 . . . . 0.0 110.769 -178.59 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.33 -52.33 53.88 Favored Glycine 0 CA--C 1.527 0.788 0 C-N-CA 124.297 0.951 . . . . 0.0 112.204 173.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.77 -49.38 68.36 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-O 121.161 0.505 . . . . 0.0 109.897 179.053 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 34.9 mt -65.35 -44.44 87.7 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.032 0.533 . . . . 0.0 111.066 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.75 -44.03 90.45 Favored 'General case' 0 CA--C 1.522 -0.103 0 C-N-CA 124.332 1.053 . . . . 0.0 110.746 -177.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 66.7 mtm -52.96 -22.9 6.19 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 118.225 -0.893 . . . . 0.0 112.359 173.043 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 52.2 mt -90.66 -71.47 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-N 119.674 1.125 . . . . 0.0 109.423 171.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 39.8 p90 -65.0 -36.9 85.89 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.081 -1.012 . . . . 0.0 112.495 -168.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -92.87 22.21 5.05 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.622 1.169 . . . . 0.0 112.183 174.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -45.39 141.09 2.76 Favored 'General case' 0 C--N 1.346 0.429 0 CA-C-O 123.093 1.425 . . . . 0.0 112.394 -175.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . 151.96 -35.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 1 C-N-CA 132.531 4.332 . . . . 0.0 105.753 -168.514 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.525 ' H ' HD12 ' B' ' 88' ' ' LEU . 7.1 mp -49.07 -43.65 41.23 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 126.28 1.832 . . . . 0.0 112.307 176.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 2.7 pptp? -150.14 4.03 0.53 Allowed 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -169.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.423 0 N-CA-C 110.052 -1.219 . . . . 0.0 110.052 175.241 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.451 -0.424 0 N-CA-C 107.119 -1.437 . . . . 0.0 107.119 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.88 98.51 0.2 Allowed 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 176.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 p -50.79 149.38 6.19 Favored Pre-proline 0 CA--C 1.538 0.502 0 C-N-CA 124.881 1.272 . . . . 0.0 110.205 173.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -36.1 -51.79 1.09 Allowed 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 124.931 3.754 . . . . 0.0 115.946 -173.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.89 -54.71 41.3 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.213 0.605 . . . . 0.0 110.583 177.08 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -60.07 -38.95 84.38 Favored 'General case' 0 C--O 1.224 -0.261 0 C-N-CA 124.746 1.218 . . . . 0.0 109.917 -178.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -63.71 -47.97 78.97 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.396 1.079 . . . . 0.0 110.875 177.283 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.38 -48.82 80.19 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.389 0.675 . . . . 0.0 109.853 176.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 24.4 mm -53.24 -46.92 57.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 171.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -42.99 -52.71 5.67 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 125.162 1.363 . . . . 0.0 111.416 169.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.1 tp -61.86 -47.3 85.64 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.705 -0.88 . . . . 0.0 111.317 177.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -55.23 -33.5 63.16 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.361 0.982 . . . . 0.0 112.068 174.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 52.4 mt -70.03 -44.55 78.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 123.497 0.719 . . . . 0.0 109.519 174.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.19 -31.88 62.69 Favored Glycine 0 CA--C 1.531 1.051 0 C-N-CA 125.241 1.401 . . . . 0.0 111.931 172.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.2 mm -67.58 -66.1 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 168.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -43.06 -82.79 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 127.398 2.279 . . . . 0.0 112.191 -178.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . 0.526 1.5 m-70 -70.36 22.27 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 120.923 3.675 . . . . 0.0 120.923 -167.033 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.1 mtmm -77.44 -50.59 12.37 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 103.116 -2.92 . . . . 0.0 103.116 159.15 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.447 ' CD2' HD12 ' A' ' 37' ' ' LEU . 29.6 m-85 -68.94 129.54 40.22 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 126.688 1.995 . . . . 0.0 107.547 174.518 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 93.4 p 57.26 40.52 27.79 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.763 0.792 . . . . 0.0 109.47 -167.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -138.18 -63.37 0.05 OUTLIER Glycine 0 C--N 1.337 0.621 0 C-N-CA 126.295 1.903 . . . . 0.0 108.758 177.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.6 48.11 0.19 Allowed 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.821 0.848 . . . . 0.0 112.115 171.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -173.09 130.77 0.48 Allowed 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 106.093 -1.817 . . . . 0.0 106.093 -176.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.65 -38.38 96.33 Favored Glycine 0 CA--C 1.528 0.896 0 CA-C-O 119.84 -0.422 . . . . 0.0 112.748 -169.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -60.43 174.06 0.61 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.155 1.382 . . . . 0.0 113.534 -169.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.7 128.68 1.52 Allowed 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 125.632 1.573 . . . . 0.0 112.889 -169.538 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -85.82 55.51 3.55 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 122.021 0.915 . . . . 0.0 110.901 -171.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 66.5 p -138.8 152.06 47.57 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 130.104 3.362 . . . . 0.0 102.895 168.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.4 mp -78.73 143.19 36.43 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 106.709 -1.589 . . . . 0.0 106.709 175.178 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.8 p -95.28 -85.79 0.31 Allowed 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 106.261 -1.755 . . . . 0.0 106.261 172.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.42 -51.21 0.69 Allowed 'General case' 0 N--CA 1.448 -0.525 0 C-N-CA 126.933 2.093 . . . . 0.0 107.779 168.329 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -44.28 -48.94 9.55 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 119.145 0.884 . . . . 0.0 112.192 -173.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.0 mp0 -62.38 -40.24 95.83 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 124.878 1.271 . . . . 0.0 109.837 -177.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.09 -46.46 74.19 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 178.062 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 46.1 mmtt -65.86 -19.09 65.76 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 121.538 -0.726 . . . . 0.0 111.675 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -73.32 -59.73 2.57 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 121.845 0.831 . . . . 0.0 109.254 168.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.447 HD12 ' CD2' ' A' ' 19' ' ' TYR . 7.3 tt -49.36 -58.12 5.67 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 128.159 2.583 . . . . 0.0 113.757 -178.215 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -31.18 -59.7 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.23 0.057 0 C-N-CA 128.011 2.524 . . . . 0.0 113.931 -168.565 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -57.57 -49.55 76.02 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.696 0.798 . . . . 0.0 111.863 -168.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.14 -35.95 11.68 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 -172.375 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -91.51 -29.08 17.19 Favored 'General case' 0 CA--C 1.528 0.111 0 N-CA-C 118.248 2.684 . . . . 0.0 118.248 -163.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.8 mt -69.59 22.32 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 116.097 1.888 . . . . 0.0 116.097 -168.164 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.1 m 50.53 58.88 5.02 Favored 'General case' 0 C--O 1.224 -0.25 0 C-N-CA 125.941 1.697 . . . . 0.0 110.932 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.437 ' H ' HD12 ' A' ' 44' ' ' ILE . 3.2 mp -80.24 74.02 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-O 123.164 1.459 . . . . 0.0 108.2 -177.223 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 53.38 -149.49 13.11 Favored Glycine 0 CA--C 1.527 0.792 0 C-N-CA 127.242 2.353 . . . . 0.0 111.902 174.284 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.3 m -74.86 50.04 0.44 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.795 1.238 . . . . 0.0 112.13 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -152.97 -49.97 0.1 Allowed 'General case' 0 CA--C 1.521 -0.173 0 C-N-CA 126.562 1.945 . . . . 0.0 108.055 169.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . 0.271 1.1 pt? 42.27 50.76 4.57 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 124.254 1.021 . . . . 0.0 111.648 -170.166 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 34.2 tp60 -165.52 101.36 0.71 Allowed 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 106.041 -1.837 . . . . 0.0 106.041 170.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -139.92 -175.13 4.12 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 124.983 1.313 . . . . 0.0 108.239 -175.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -164.05 -176.61 4.59 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.729 0.812 . . . . 0.0 109.192 -172.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 16.21 -57.56 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.288 1 C-N-CA 134.278 5.031 . . . . 0.0 117.024 179.365 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 69.2 mt -50.04 -46.77 24.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 124.483 1.113 . . . . 0.0 109.175 172.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 38.4 t -72.94 -40.26 59.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 177.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -52.61 -39.26 61.47 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.842 0.857 . . . . 0.0 111.02 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.5 tp -51.49 -39.8 58.27 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 121.792 -0.567 . . . . 0.0 111.37 174.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.7 mmt -86.46 -40.59 15.17 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.093 0.957 . . . . 0.0 110.53 -176.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -48.91 -33.41 10.74 Favored 'General case' 0 CA--C 1.517 -0.293 0 C-N-CA 124.376 1.071 . . . . 0.0 112.333 -174.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.78 -4.74 1.61 Allowed 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 -173.429 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.0 mp -54.76 -19.72 6.93 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.08 -1.012 . . . . 0.0 111.002 165.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.83 -18.61 3.43 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.038 1.335 . . . . 0.0 112.896 168.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 55.4 ttm-85 -65.59 -6.69 11.75 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.269 1.427 . . . . 0.0 113.185 169.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -29.22 -73.54 0.03 OUTLIER 'General case' 0 C--N 1.339 0.152 0 C-N-CA 128.368 2.667 . . . . 0.0 116.987 -171.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -130.0 131.05 45.74 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -169.431 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.264 0.4 OUTLIER 66.28 -48.76 0.43 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 129.577 3.151 . . . . 0.0 113.542 -179.108 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? 146.41 -54.59 0.01 OUTLIER 'General case' 0 C--O 1.231 0.112 0 C-N-CA 128.9 2.88 . . . . 0.0 109.064 -169.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -77.79 167.08 22.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.979 0.895 . . . . 0.0 112.593 -170.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 58.7 t -140.03 94.43 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 C-N-CA 126.66 1.984 . . . . 0.0 107.954 -172.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -78.68 -176.21 4.77 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 124.773 1.229 . . . . 0.0 108.575 168.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -58.64 -42.38 88.19 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-O 119.123 -0.465 . . . . 0.0 110.738 -178.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -53.63 -57.13 11.88 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-N 118.197 0.453 . . . . 0.0 110.014 177.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -56.92 -56.11 25.85 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.114 0.966 . . . . 0.0 110.446 -178.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -48.76 -51.68 27.75 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 123.64 0.776 . . . . 0.0 110.052 178.48 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.7 mm -62.61 -53.23 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -178.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 60.7 m -50.98 -48.86 61.13 Favored 'General case' 0 CA--C 1.52 -0.18 0 C-N-CA 124.529 1.132 . . . . 0.0 108.792 -175.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -58.23 -60.29 3.98 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 114.284 -1.325 . . . . 0.0 111.691 176.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.13 -42.08 76.36 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 120.99 0.424 . . . . 0.0 109.948 -176.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -63.48 -45.0 95.84 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 124.749 1.166 . . . . 0.0 113.404 177.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.27 -47.6 75.24 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 118.099 0.95 . . . . 0.0 109.485 174.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 70.6 mt -61.0 -41.0 95.67 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 116.768 -0.197 . . . . 0.0 110.762 174.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.27 -43.13 87.79 Favored 'General case' 0 N--CA 1.457 -0.102 0 O-C-N 121.423 -0.798 . . . . 0.0 112.688 -179.117 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 42.1 mtm -57.01 -18.95 15.83 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 118.056 -0.973 . . . . 0.0 112.744 173.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 30.8 mm -90.33 -70.64 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 119.488 1.04 . . . . 0.0 108.863 169.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 25.7 p90 -56.66 -38.44 72.19 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 121.1 -1.0 . . . . 0.0 112.268 -169.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.56 26.08 3.2 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.646 1.578 . . . . 0.0 113.243 179.279 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -16.28 -46.19 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 129.04 2.936 . . . . 0.0 117.986 -169.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.892 ' O ' ' OXT' ' A' ' 90' ' ' GLY . . . -28.8 -40.83 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 126.883 2.073 . . . . 0.0 114.899 173.296 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.483 ' H ' HD12 ' A' ' 88' ' ' LEU . 7.3 mp -41.53 -51.25 3.93 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 123.981 0.912 . . . . 0.0 112.129 172.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 22.8 mtmm -87.47 -42.22 12.95 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.646 1.178 . . . . 0.0 109.184 178.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.892 ' OXT' ' O ' ' A' ' 87' ' ' ALA . . . . . . . . 0 C--O 1.271 2.456 0 N-CA-C 110.369 -1.092 . . . . 0.0 110.369 171.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.7 ptm . . . . . 0 N--CA 1.45 -0.439 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -163.57 51.3 0.15 Allowed 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.504 1.122 . . . . 0.0 108.737 -177.348 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.62 167.97 32.11 Favored Pre-proline 0 CA--C 1.541 0.63 0 C-N-CA 125.7 1.6 . . . . 0.0 109.357 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -58.8 144.08 98.64 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 CA-C-N 120.508 1.217 . . . . 0.0 109.39 169.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 43.4 tp 73.21 -56.41 0.66 Allowed 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 127.438 2.295 . . . . 0.0 110.791 -173.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -42.04 -51.0 4.63 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.797 1.639 . . . . 0.0 110.169 171.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -41.01 -54.63 2.74 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.83 1.252 . . . . 0.0 113.352 169.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.85 -46.76 74.06 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 123.021 0.528 . . . . 0.0 109.979 -174.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.7 mp -52.93 -50.4 44.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 173.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.99 -56.24 9.11 Favored Glycine 0 CA--C 1.526 0.743 0 C-N-CA 125.515 1.531 . . . . 0.0 111.522 174.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 58.7 tp -57.96 -49.28 77.33 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.032 0.916 . . . . 0.0 110.71 179.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 45.0 mt -56.9 -41.06 77.42 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.008 0.523 . . . . 0.0 111.215 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 58.9 mt -66.64 -46.15 86.69 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.124 0 C-N-CA 123.368 0.667 . . . . 0.0 110.225 174.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.46 -55.68 27.32 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 109.918 -1.273 . . . . 0.0 109.918 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 4.3 tp -64.9 -46.23 92.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-O 118.78 -0.629 . . . . 0.0 109.901 -177.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -42.97 -57.12 2.99 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 119.157 0.889 . . . . 0.0 110.586 169.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -74.52 -32.68 62.56 Favored 'General case' 0 N--CA 1.434 -1.23 0 CA-C-O 118.215 -0.898 . . . . 0.0 112.667 -168.138 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 3.6 tpmp? -69.14 -31.2 69.7 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 119.14 -1.024 . . . . 0.0 113.607 -172.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -77.69 69.11 3.88 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 119.346 0.975 . . . . 0.0 110.749 178.178 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 9.1 p -133.26 38.29 3.32 Favored 'General case' 0 N--CA 1.442 -0.849 0 C-N-CA 125.947 1.699 . . . . 0.0 110.011 -172.151 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 39.94 75.44 0.11 Allowed Glycine 0 C--N 1.339 0.728 0 C-N-CA 125.921 1.724 . . . . 0.0 114.867 168.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 20.8 ttpp 40.13 -95.05 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 127.541 2.336 . . . . 0.0 114.003 168.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 53.2 mp0 -56.93 108.06 0.47 Allowed 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 124.423 1.089 . . . . 0.0 110.154 -178.186 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.1 121.05 0.06 OUTLIER Glycine 0 CA--C 1.527 0.832 0 C-N-CA 125.127 1.346 . . . . 0.0 110.757 178.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -74.0 73.15 1.67 Allowed 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 121.734 0.778 . . . . 0.0 109.791 178.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -34.36 104.29 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 128.48 2.712 . . . . 0.0 110.217 174.654 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 35.1 m170 -57.89 -48.43 79.88 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 123.16 0.584 . . . . 0.0 111.693 -172.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 24.4 p -97.65 134.83 40.32 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 105.296 -2.113 . . . . 0.0 105.296 169.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.23 138.36 32.4 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 119.185 0.902 . . . . 0.0 109.686 -172.159 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.7 m -80.66 39.97 0.5 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.762 1.225 . . . . 0.0 111.008 -174.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.49 -67.03 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 127.105 2.162 . . . . 0.0 113.953 -171.019 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 15.1 tptp -53.96 -29.71 43.89 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 119.275 0.943 . . . . 0.0 112.034 -174.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -66.57 -54.45 23.53 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 173.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.455 ' O ' HD13 ' B' ' 34' ' ' LEU . 1.8 tm? -61.6 -34.62 75.94 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.772 -0.58 . . . . 0.0 110.95 -178.704 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -43.12 -41.01 3.46 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.658 1.183 . . . . 0.0 111.102 174.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.91 -26.39 65.08 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -178.111 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 tt -71.43 -64.95 0.82 Allowed 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.747 1.219 . . . . 0.0 107.986 172.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 3.4 tp -56.13 -48.62 78.87 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 C-N-CA 123.245 0.618 . . . . 0.0 112.286 -171.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -55.85 -31.94 63.18 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 118.382 0.537 . . . . 0.0 112.021 -173.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -93.75 -101.07 0.14 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.618 1.167 . . . . 0.0 113.225 -178.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 9.7 pm0 -63.08 -36.1 82.46 Favored 'General case' 0 C--N 1.342 0.266 0 N-CA-C 116.443 2.016 . . . . 0.0 116.443 -165.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 15.4 mt -59.72 -68.41 0.29 Allowed 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 119.924 1.238 . . . . 0.0 111.636 -169.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.78 -7.01 30.02 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 115.202 1.556 . . . . 0.0 115.202 -168.152 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 pp -89.17 -5.23 10.59 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.15 0 CA-C-N 118.836 0.744 . . . . 0.0 112.976 177.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -54.0 120.93 16.82 Favored Glycine 0 CA--C 1.533 1.187 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 176.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 70.7 m 51.57 31.8 8.15 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.327 1.851 . . . . 0.0 113.63 -172.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -133.77 -19.67 2.05 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.937 1.695 . . . . 0.0 111.592 169.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 3.2 tt 76.71 -61.51 0.44 Allowed 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 125.557 1.543 . . . . 0.0 110.94 171.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -162.07 89.34 0.71 Allowed 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 121.616 -0.678 . . . . 0.0 111.016 -176.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -137.06 155.36 49.75 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 105.773 -1.936 . . . . 0.0 105.773 168.241 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -130.73 -13.27 3.72 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 126.066 1.746 . . . . 0.0 111.96 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -55.78 -45.55 78.14 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 119.948 1.249 . . . . 0.0 111.167 -169.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -60.16 -33.47 53.52 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 C-N-CA 123.734 0.814 . . . . 0.0 113.041 177.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 69.5 t -52.81 -47.93 50.85 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.248 0 C-N-CA 123.214 0.606 . . . . 0.0 110.959 -169.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.46 -21.65 62.58 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -173.135 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 10.0 tt -92.34 -50.38 5.67 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.613 0.765 . . . . 0.0 109.57 172.13 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 53.4 mtt -65.19 -47.46 76.84 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 119.486 -0.292 . . . . 0.0 111.771 -169.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -29.72 -61.93 0.14 Allowed 'General case' 0 CA--C 1.513 -0.457 0 C-N-CA 127.335 2.254 . . . . 0.0 113.954 -174.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -91.93 16.92 10.03 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 114.755 1.391 . . . . 0.0 114.755 -169.27 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 85.1 mt -80.36 -7.86 59.26 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.692 -0.63 . . . . 0.0 112.591 171.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 29.0 p-10 -72.89 -32.89 65.68 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 124.08 0.952 . . . . 0.0 109.072 169.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.48 25.17 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 126.494 1.918 . . . . 0.0 114.613 174.784 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -56.34 -100.9 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 127.131 2.172 . . . . 0.0 116.01 -168.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.87 86.41 3.28 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-N 120.345 1.429 . . . . 0.0 110.562 -168.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 2.3 p30 60.08 -23.59 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 118.725 2.861 . . . . 0.0 118.725 167.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 25.5 pt20 -85.27 51.15 2.1 Favored 'General case' 0 C--N 1.332 -0.187 0 O-C-N 120.748 -1.22 . . . . 0.0 112.485 -166.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 43.48 -96.27 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 126.128 1.771 . . . . 0.0 109.668 -168.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 45.3 t -156.72 135.49 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 C-N-CA 128.101 2.56 . . . . 0.0 104.288 166.357 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -148.4 179.08 8.06 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 173.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -54.71 -38.37 66.99 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-O 118.446 -0.788 . . . . 0.0 112.118 -170.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -56.44 -57.78 10.85 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 118.946 0.793 . . . . 0.0 109.027 177.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -63.97 -47.47 80.29 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 121.897 -0.502 . . . . 0.0 110.559 -176.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -51.58 -46.43 63.47 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.002 0.921 . . . . 0.0 111.609 176.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 4.0 tp -81.39 -40.63 18.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 O-C-N 121.819 -0.551 . . . . 0.0 110.206 -172.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 56.1 m -49.26 -52.34 27.93 Favored 'General case' 0 C--N 1.341 0.219 0 C-N-CA 124.129 0.972 . . . . 0.0 108.905 169.068 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -52.36 -61.76 2.07 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.801 1.64 . . . . 0.0 109.901 174.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -45.3 -52.58 9.55 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 118.407 0.549 . . . . 0.0 111.094 178.332 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.97 -54.53 33.14 Favored Glycine 0 CA--C 1.533 1.187 0 C-N-CA 123.315 0.483 . . . . 0.0 112.717 176.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.3 -54.16 47.56 Favored 'General case' 0 N--CA 1.457 -0.094 0 C-N-CA 123.141 0.576 . . . . 0.0 110.24 -175.29 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 9.2 mp -54.92 -50.65 68.29 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 124.455 1.102 . . . . 0.0 109.303 177.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.85 -46.32 78.23 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 123.35 0.66 . . . . 0.0 111.343 -177.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 82' ' ' MET . . . . . 0.427 ' HG2' HD11 ' B' ' 88' ' ' LEU . 53.1 mtm -52.53 -24.62 8.45 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 119.066 0.848 . . . . 0.0 113.163 175.095 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 38.4 mm -90.83 -70.53 0.56 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-N 119.035 0.834 . . . . 0.0 110.287 171.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -65.75 -36.42 83.51 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 120.966 -1.084 . . . . 0.0 111.796 -169.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -91.12 26.74 2.06 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.861 2.065 . . . . 0.0 110.453 176.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -14.81 -66.55 0.01 OUTLIER 'General case' 0 C--O 1.238 0.466 0 C-N-CA 130.746 3.618 . . . . 0.0 114.228 -169.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -38.61 -36.86 0.28 Allowed 'General case' 0 C--O 1.232 0.176 0 C-N-CA 126.233 1.813 . . . . 0.0 113.252 -175.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.478 ' C ' HD12 ' B' ' 88' ' ' LEU . 0.5 OUTLIER -55.02 -25.54 30.99 Favored 'General case' 0 C--N 1.339 0.149 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 -175.896 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 33.5 mtmm -56.87 -33.93 67.34 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.699 0.681 . . . . 0.0 111.615 176.171 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.38 0 C-N-CA 124.249 0.928 . . . . 0.0 111.808 174.112 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.7 tpt . . . . . 0 N--CA 1.45 -0.463 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.43 -38.67 0.04 OUTLIER 'General case' 0 C--O 1.228 -0.063 0 C-N-CA 123.686 0.794 . . . . 0.0 112.212 178.007 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.1 t -168.05 123.92 0.84 Allowed Pre-proline 0 C--N 1.329 -0.297 0 C-N-CA 124.486 1.115 . . . . 0.0 108.411 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -44.67 -42.58 14.7 Favored 'Trans proline' 0 N--CA 1.454 -0.845 0 C-N-CA 123.272 2.648 . . . . 0.0 112.316 172.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 50.6 tp -60.72 -56.88 15.99 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 122.547 0.339 . . . . 0.0 110.28 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -54.71 -45.93 74.1 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 123.002 0.521 . . . . 0.0 111.079 -178.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.62 -52.83 48.96 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.253 -0.431 . . . . 0.0 109.984 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.94 -53.78 54.41 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.37 0.668 . . . . 0.0 111.464 -177.046 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.6 mm -55.48 -50.78 63.6 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.068 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 173.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -42.03 -51.87 5.02 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 123.401 0.524 . . . . 0.0 112.435 174.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.1 mt -55.31 -27.17 45.13 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 118.195 -0.907 . . . . 0.0 113.172 -178.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -59.69 -39.83 85.87 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 120.678 1.581 . . . . 0.0 110.312 174.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.662 HD12 ' HB3' ' B' ' 88' ' ' LEU . 1.5 mt -82.51 -31.24 9.56 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 CA-C-N 118.129 0.422 . . . . 0.0 110.199 172.768 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.77 -55.45 28.87 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 121.109 -0.994 . . . . 0.0 111.533 177.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.6 mm -52.2 -65.83 0.26 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.175 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 176.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.443 ' CD1' HD23 ' A' ' 29' ' ' LEU . 7.7 t80 -28.77 -65.36 0.09 Allowed 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 126.121 1.768 . . . . 0.0 111.404 170.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . 0.358 1.9 m-70 -76.94 -8.19 56.94 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 117.09 2.255 . . . . 0.0 117.09 -175.584 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -56.76 -42.89 80.14 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 121.223 1.828 . . . . 0.0 108.045 166.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.504 ' CD2' HD12 ' A' ' 37' ' ' LEU . 94.4 m-85 -73.34 3.84 5.39 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.896 0.878 . . . . 0.0 112.892 -177.608 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 38.6 m -87.26 -9.54 54.76 Favored 'General case' 0 N--CA 1.455 -0.198 0 O-C-N 121.492 -0.755 . . . . 0.0 111.663 168.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.14 -52.67 34.62 Favored Glycine 0 CA--C 1.532 1.104 0 CA-C-N 118.915 0.779 . . . . 0.0 113.556 -169.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.437 ' NZ ' ' OE2' ' A' ' 33' ' ' GLU . 6.0 mtpm? -82.1 -142.12 0.05 Allowed 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 -168.448 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -76.32 113.99 14.51 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 126.148 1.779 . . . . 0.0 108.551 -169.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 139.67 -164.65 26.0 Favored Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 109.077 -1.609 . . . . 0.0 109.077 177.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.402 ' OD2' ' NE2' ' A' ' 27' ' ' HIS . 14.2 t70 -70.12 -176.2 1.11 Allowed 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.227 1.011 . . . . 0.0 111.821 -174.026 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -138.29 -26.71 0.9 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.909 1.684 . . . . 0.0 113.479 178.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.402 ' NE2' ' OD2' ' A' ' 25' ' ' ASP . 23.6 p80 -72.15 -35.29 69.02 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 120.467 1.485 . . . . 0.0 107.95 168.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.44 172.54 6.92 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 127.466 2.306 . . . . 0.0 107.189 167.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.443 HD23 ' CD1' ' A' ' 16' ' ' PHE . 4.0 pp -112.14 -179.81 3.79 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 120.955 -1.091 . . . . 0.0 109.361 173.221 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.4 t -109.4 144.59 37.4 Favored 'General case' 0 C--N 1.343 0.325 0 CA-C-N 119.195 0.907 . . . . 0.0 112.994 -177.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.5 pttm -56.55 -37.42 70.5 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.674 1.189 . . . . 0.0 112.613 -175.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -62.5 -54.35 41.28 Favored 'General case' 0 CA--C 1.528 0.125 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 -177.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.437 ' OE2' ' NZ ' ' A' ' 22' ' ' LYS . 21.2 mp0 -60.57 -41.43 94.59 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 124.507 1.123 . . . . 0.0 109.078 179.659 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 26.7 tp -50.73 -38.91 50.16 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 120.805 -1.184 . . . . 0.0 111.987 172.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.401 ' NZ ' ' OD1' ' A' ' 59' ' ' ASP . 35.6 mttm -72.48 -17.29 61.77 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.519 -0.738 . . . . 0.0 111.67 178.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -77.49 -41.16 40.46 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.232 -0.917 . . . . 0.0 108.681 166.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.504 HD12 ' CD2' ' A' ' 19' ' ' TYR . 3.6 tt -54.66 -63.92 1.0 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.172 1.389 . . . . 0.0 110.024 179.533 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.6 tt -44.38 -44.22 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 C-N-CA 124.338 1.055 . . . . 0.0 112.792 -171.001 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -55.09 -48.97 72.83 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 123.551 0.74 . . . . 0.0 111.922 -174.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.23 -86.66 0.25 Allowed 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 117.932 0.333 . . . . 0.0 111.793 -176.521 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -50.32 -45.01 54.49 Favored 'General case' 0 C--O 1.232 0.132 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 -167.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.9 mt -69.37 -1.54 8.59 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -175.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.5 m 63.64 31.77 14.31 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.48 1.037 . . . . 0.0 111.334 167.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.5 tp -60.36 -36.65 70.45 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 O-C-N 121.33 -0.856 . . . . 0.0 110.961 -178.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -46.29 -38.11 8.65 Favored Glycine 0 CA--C 1.53 0.991 0 C-N-CA 125.124 1.345 . . . . 0.0 113.208 -179.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.5 m -59.2 -12.65 5.6 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 -179.181 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -59.92 -33.14 71.49 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 118.736 0.698 . . . . 0.0 111.19 169.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 71.8 mt 65.46 -66.04 0.15 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 126.831 2.052 . . . . 0.0 112.049 -176.032 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -79.48 53.28 1.52 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.904 1.282 . . . . 0.0 110.081 -177.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -85.14 -173.27 4.61 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.847 0.859 . . . . 0.0 109.579 171.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -178.95 157.46 0.87 Allowed 'General case' 0 C--O 1.224 -0.238 0 C-N-CA 126.085 1.754 . . . . 0.0 108.11 -175.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.88 -54.22 13.3 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.927 0.785 . . . . 0.0 111.849 173.443 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 20.6 pt -61.01 -34.04 58.29 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 O-C-N 121.057 -1.027 . . . . 0.0 111.481 176.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.6 t -70.23 -35.87 65.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 O-C-N 121.545 -0.722 . . . . 0.0 109.65 178.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.29 -39.9 93.13 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 121.5 -0.75 . . . . 0.0 110.047 174.322 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 tt -55.11 -48.9 72.97 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 169.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 41.7 tpp -57.87 -40.62 80.61 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.246 -0.909 . . . . 0.0 111.767 176.256 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.46 ' C ' ' H ' ' A' ' 60' ' ' LEU . 61.2 m-20 -70.13 -0.44 7.76 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 113.93 1.085 . . . . 0.0 113.93 176.017 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.401 ' OD1' ' NZ ' ' A' ' 35' ' ' LYS . 0.5 OUTLIER -68.93 27.92 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 119.404 1.002 . . . . 0.0 111.221 168.024 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.46 ' H ' ' C ' ' A' ' 58' ' ' ASP . 84.8 mt -56.3 -23.85 39.46 Favored 'General case' 0 C--N 1.344 0.365 0 C-N-CA 126.561 1.944 . . . . 0.0 111.92 -175.593 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -52.8 -22.92 5.93 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 123.875 0.87 . . . . 0.0 111.579 169.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.1 ptp85 -53.54 -18.36 2.77 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 172.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -28.03 -63.03 0.1 Allowed 'General case' 0 C--N 1.345 0.373 0 C-N-CA 128.121 2.568 . . . . 0.0 114.008 -173.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.77 -53.52 0.14 Allowed 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 169.574 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -68.53 -43.73 76.08 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 119.312 -0.375 . . . . 0.0 111.312 -169.012 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 70.08 -63.15 0.41 Allowed 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 126.292 1.837 . . . . 0.0 110.301 -178.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.03 71.2 1.08 Allowed 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 105.182 -2.155 . . . . 0.0 105.182 165.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.429 HG22 HD11 ' A' ' 29' ' ' LEU . 35.0 m -59.96 155.0 3.51 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 -167.261 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -103.74 176.85 5.02 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 127.785 2.434 . . . . 0.0 106.811 168.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -57.58 -48.64 78.81 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 -175.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . 0.308 0.0 OUTLIER -54.72 -43.14 72.33 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 118.228 -0.892 . . . . 0.0 113.021 179.436 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -70.68 -46.04 63.93 Favored 'General case' 0 C--O 1.227 -0.099 0 CA-C-N 119.957 1.253 . . . . 0.0 111.487 177.116 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -46.22 -48.04 17.82 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.194 0.598 . . . . 0.0 110.033 172.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 14.2 mm -66.57 -53.6 33.99 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 CA-C-O 118.916 -0.564 . . . . 0.0 111.269 177.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 64.9 m -47.24 -48.46 24.38 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.857 0.837 . . . . 0.0 109.538 -179.085 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -57.82 -62.39 1.84 Allowed 'General case' 0 N--CA 1.44 -0.95 0 C-N-CA 126.112 1.765 . . . . 0.0 111.211 175.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.75 -42.56 75.6 Favored 'General case' 0 C--N 1.339 0.137 0 CA-C-N 118.769 0.713 . . . . 0.0 110.92 -175.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -62.41 -47.73 87.33 Favored Glycine 0 CA--C 1.529 0.935 0 CA-C-O 119.34 -0.7 . . . . 0.0 112.486 175.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.82 -46.87 78.0 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.873 1.337 . . . . 0.0 110.453 176.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 73.9 mt -61.07 -46.29 91.29 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 122.548 0.339 . . . . 0.0 110.546 176.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.01 -41.02 74.26 Favored 'General case' 0 C--O 1.227 -0.121 0 C-N-CA 123.634 0.774 . . . . 0.0 111.177 177.117 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -53.13 -26.94 18.43 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 173.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 44.1 mt -89.2 -68.82 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 173.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 19.6 p90 -66.83 -38.07 85.71 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 112.778 0.658 . . . . 0.0 112.778 -168.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -91.56 23.57 3.44 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.893 1.277 . . . . 0.0 111.621 -176.406 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -45.84 137.91 5.23 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-O 122.44 1.114 . . . . 0.0 111.748 -176.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 150.19 33.01 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.582 1 C-N-CA 133.335 4.654 . . . . 0.0 108.032 -171.05 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -157.85 -18.06 0.08 Allowed 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 -172.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 10.9 mtmm -104.66 -70.92 0.76 Allowed 'General case' 0 C--N 1.34 0.177 0 N-CA-C 107.718 -1.215 . . . . 0.0 107.718 167.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.375 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 -174.993 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 56.6 ttp . . . . . 0 CA--C 1.536 0.411 0 CA-C-O 118.185 -0.912 . . . . 0.0 112.631 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.8 -33.55 0.09 Allowed 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 116.131 1.9 . . . . 0.0 116.131 -168.306 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.38 172.66 8.15 Favored Pre-proline 0 CA--C 1.538 0.49 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 177.305 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_exo -48.4 -62.64 0.4 Allowed 'Trans proline' 0 CA--C 1.539 0.732 0 C-N-CA 122.391 2.061 . . . . 0.0 114.91 -169.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 82.8 mt -63.75 -53.35 52.45 Favored 'General case' 0 CA--C 1.528 0.098 0 CA-C-O 120.822 0.344 . . . . 0.0 110.332 -174.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -59.46 -37.18 77.49 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.293 1.437 . . . . 0.0 111.972 -178.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -66.56 -51.17 59.47 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 121.409 -0.807 . . . . 0.0 109.806 174.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.04 -51.59 69.04 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 121.241 0.543 . . . . 0.0 110.653 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 95.2 mt -56.5 -47.26 82.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 175.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.2 -52.18 18.52 Favored Glycine 0 CA--C 1.53 0.975 0 C-N-CA 124.213 0.911 . . . . 0.0 112.127 173.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 63.3 tp -57.86 -49.82 75.39 Favored 'General case' 0 CA--C 1.529 0.168 0 O-C-N 121.875 -0.779 . . . . 0.0 109.948 178.257 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 65.8 mt -57.8 -41.9 83.07 Favored 'General case' 0 CA--C 1.535 0.404 0 O-C-N 122.185 -0.322 . . . . 0.0 111.457 178.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 91.2 mt -60.58 -43.35 94.43 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.127 0 C-N-CA 124.271 1.028 . . . . 0.0 109.553 174.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.76 -59.24 11.2 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 176.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 32.9 mm -54.28 -47.07 68.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 122.99 0.516 . . . . 0.0 110.104 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -51.13 -74.89 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.668 1.187 . . . . 0.0 110.982 171.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -84.49 10.39 11.01 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 116.861 2.171 . . . . 0.0 116.861 -168.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -57.94 -46.69 84.67 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 106.18 -1.785 . . . . 0.0 106.18 164.224 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -61.57 131.36 49.81 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 114.236 -1.347 . . . . 0.0 109.913 169.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 13.7 p -169.95 -13.74 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 114.82 -1.082 . . . . 0.0 113.488 -166.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.41 -64.7 3.49 Favored Glycine 0 C--N 1.34 0.75 0 C-N-CA 127.7 2.572 . . . . 0.0 111.694 171.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.6 pttp 169.94 -114.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 130.444 3.498 . . . . 0.0 104.151 -176.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -53.4 55.35 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 120.488 1.494 . . . . 0.0 109.631 169.37 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 31.67 -118.09 0.11 Allowed Glycine 0 CA--C 1.527 0.793 0 C-N-CA 128.211 2.815 . . . . 0.0 113.202 169.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -128.49 162.1 28.0 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 169.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 30.1 mmtm -131.44 -19.66 2.72 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 127.198 2.199 . . . . 0.0 111.83 -178.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 15.4 p-80 -93.01 -33.89 13.94 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 169.173 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.9 169.87 8.23 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 125.757 1.623 . . . . 0.0 109.77 174.612 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 40.4 mt -98.26 134.02 41.86 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 168.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 5.7 m -75.81 67.47 2.23 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.521 0.729 . . . . 0.0 111.916 -175.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 49.0 mttm 42.94 -78.01 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 128.925 2.89 . . . . 0.0 115.296 174.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -43.89 -47.42 8.34 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 124.467 1.107 . . . . 0.0 109.405 175.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -43.48 -59.11 2.28 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 125.055 1.342 . . . . 0.0 111.291 173.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -62.78 -44.5 96.01 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 123.443 0.697 . . . . 0.0 110.111 -178.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -61.91 -19.22 62.46 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.736 -0.602 . . . . 0.0 112.001 177.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -82.58 -48.0 11.48 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.451 1.023 . . . . 0.0 110.675 169.173 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 tt -44.58 -51.29 9.13 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 126.184 1.794 . . . . 0.0 110.269 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 21.2 pt -56.6 -38.03 55.16 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.102 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -71.83 -58.1 3.76 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 -175.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.39 -71.22 0.63 Allowed 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.757 -171.644 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 43.0 mp0 -59.07 -37.47 77.16 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.256 1.023 . . . . 0.0 113.536 -169.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 17.7 mt -70.35 -0.99 9.22 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 119.849 1.204 . . . . 0.0 113.308 175.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m 92.1 -2.28 0.16 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 126.552 1.941 . . . . 0.0 111.857 169.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 28.7 mt -58.9 -56.28 17.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-N 119.589 1.086 . . . . 0.0 110.292 -172.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -58.13 -53.44 45.61 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 175.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.2 m -52.6 -36.99 57.35 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.608 1.563 . . . . 0.0 112.682 -177.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.19 -12.14 60.45 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.275 1.43 . . . . 0.0 112.028 178.644 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 39.7 mt 75.82 157.97 0.2 Allowed 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 127.515 2.326 . . . . 0.0 112.141 174.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . 0.303 0.0 OUTLIER 41.95 59.79 2.45 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.415 1.486 . . . . 0.0 112.298 -168.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -60.82 162.8 6.34 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 114.714 -1.13 . . . . 0.0 108.724 168.236 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -141.66 150.44 41.92 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.673 1.189 . . . . 0.0 109.941 -176.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -62.37 -32.52 73.33 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 171.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 79.2 mt -49.39 -55.16 4.71 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 C-N-CA 124.333 1.053 . . . . 0.0 110.777 170.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.7 m -71.83 -42.9 69.74 Favored 'Isoleucine or valine' 0 C--N 1.342 0.254 0 C-N-CA 119.017 -1.073 . . . . 0.0 110.979 -170.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 39.0 mtmm -56.68 -49.96 73.54 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 120.88 0.372 . . . . 0.0 110.476 173.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 62.5 tp -57.9 -38.69 76.27 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 123.569 0.748 . . . . 0.0 110.541 177.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 43.0 tpp -59.66 -63.14 1.41 Allowed 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 118.839 0.745 . . . . 0.0 109.388 171.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -66.4 -16.5 64.14 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 115.154 1.539 . . . . 0.0 115.154 -168.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -63.73 0.82 0.72 Allowed 'General case' 0 CA--C 1.557 1.223 0 O-C-N 121.437 -0.789 . . . . 0.0 111.341 166.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.7 pp -48.73 -12.59 0.04 OUTLIER 'General case' 0 C--N 1.345 0.384 0 C-N-CA 127.712 2.405 . . . . 0.0 114.541 169.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -47.24 -26.99 1.34 Allowed 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 120.155 1.343 . . . . 0.0 110.157 165.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 7.8 ptp85 -54.89 -12.88 0.9 Allowed 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 114.028 1.121 . . . . 0.0 114.028 175.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 -29.04 -49.55 0.08 Allowed 'General case' 0 C--N 1.342 0.252 0 C-N-CA 128.677 2.791 . . . . 0.0 113.683 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 18.7 pttm -150.32 -52.26 0.14 Allowed 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.422 0.289 . . . . 0.0 111.076 -174.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -114.66 -46.64 2.94 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.418 1.087 . . . . 0.0 112.944 -168.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . 0.313 4.3 pt20 43.68 41.38 3.54 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.963 0.905 . . . . 0.0 112.687 -164.526 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -107.45 69.24 0.74 Allowed 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 101.46 -3.533 . . . . 0.0 101.46 165.336 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 43.2 t -67.29 100.09 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.697 0 CA-C-O 122.584 1.183 . . . . 0.0 113.023 -166.128 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -88.34 -162.48 0.84 Allowed 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 104.663 -2.347 . . . . 0.0 104.663 164.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -63.81 -26.49 68.65 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 120.606 -1.308 . . . . 0.0 111.49 -176.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -60.29 -71.47 0.13 Allowed 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 118.703 -0.665 . . . . 0.0 112.266 -172.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -57.29 -41.7 80.29 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 120.186 1.357 . . . . 0.0 111.227 -175.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -44.65 -64.46 0.69 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.852 0.861 . . . . 0.0 110.314 170.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 3.6 tp -67.86 -30.62 48.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 O-C-N 121.494 -0.754 . . . . 0.0 110.798 -173.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 51.8 m -54.17 -53.98 45.98 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 118.774 -0.631 . . . . 0.0 110.522 170.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.74 -46.8 86.39 Favored 'General case' 0 C--N 1.343 0.315 0 C-N-CA 118.659 -1.217 . . . . 0.0 111.606 178.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 4.7 mp -48.12 -52.91 18.46 Favored 'General case' 0 C--N 1.343 0.316 0 CA-C-N 119.002 0.819 . . . . 0.0 109.905 175.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.67 -48.67 60.59 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 123.799 0.714 . . . . 0.0 112.591 176.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.71 -53.8 54.24 Favored 'General case' 0 CA--C 1.527 0.072 0 C-N-CA 123.463 0.705 . . . . 0.0 111.056 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 93.1 mt -60.62 -43.56 97.35 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 178.165 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -47.51 -53.58 13.93 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.968 1.307 . . . . 0.0 113.612 -169.286 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 93.5 mtp -49.2 -33.69 13.04 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 118.629 0.65 . . . . 0.0 111.683 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 37.7 mm -90.48 -73.39 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 C-N-CA 123.516 0.727 . . . . 0.0 109.917 177.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . 0.254 0.0 OUTLIER -74.92 -22.14 58.78 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 -168.036 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -93.7 22.78 5.2 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 123.729 0.812 . . . . 0.0 110.173 169.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -54.71 122.3 10.38 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 171.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . 150.2 -34.28 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.66 1 C-N-CA 134.128 4.971 . . . . 0.0 103.095 -163.422 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.662 ' HB3' HD12 ' A' ' 13' ' ' ILE . 83.7 mt -53.92 -13.25 0.71 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.618 0.767 . . . . 0.0 111.429 166.654 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . 0.3 2.4 ptpp? 59.35 63.17 1.62 Allowed 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 126.206 1.803 . . . . 0.0 109.924 178.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.269 2.337 0 C-N-CA 125.79 1.662 . . . . 0.0 109.158 -176.987 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpp? . . . . . 0 CA--C 1.532 0.259 0 N-CA-C 111.267 0.099 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.71 -158.25 0.89 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.878 0.871 . . . . 0.0 110.001 -177.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -52.97 150.51 10.09 Favored Pre-proline 0 CA--C 1.537 0.48 0 C-N-CA 126.176 1.791 . . . . 0.0 113.059 -172.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -55.35 -41.26 79.96 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 122.605 2.203 . . . . 0.0 111.725 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -54.23 -56.75 15.27 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.448 0.699 . . . . 0.0 110.011 173.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -51.75 -50.27 60.96 Favored 'General case' 0 C--O 1.224 -0.257 0 C-N-CA 123.864 0.866 . . . . 0.0 110.555 178.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -63.33 -49.24 74.73 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 117.541 0.155 . . . . 0.0 110.63 -177.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.68 -56.0 27.81 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.267 0.627 . . . . 0.0 110.794 -177.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.0 mm -58.3 -41.0 80.07 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 174.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.43 -45.25 11.45 Favored Glycine 0 CA--C 1.522 0.53 0 C-N-CA 127.076 2.274 . . . . 0.0 112.631 174.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 93.0 mt -54.64 -54.73 37.69 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 118.863 1.331 . . . . 0.0 110.075 175.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.38 -40.34 90.5 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.4 mt -61.32 -38.21 79.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 O-C-N 121.741 -0.6 . . . . 0.0 110.776 173.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.55 -61.48 6.99 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 109.427 -1.469 . . . . 0.0 109.427 174.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.1 mp -53.9 -42.19 52.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 178.058 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.42 ' CD1' ' HB2' ' A' ' 29' ' ' LEU . 52.0 t80 -44.4 -75.56 0.03 OUTLIER 'General case' 0 C--N 1.342 0.262 0 C-N-CA 124.147 0.979 . . . . 0.0 112.213 -170.279 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.22 -17.58 60.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 118.196 -0.907 . . . . 0.0 111.889 -178.326 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -54.05 -37.3 64.0 Favored 'General case' 0 C--N 1.346 0.427 0 CA-C-N 120.006 1.275 . . . . 0.0 109.187 169.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -74.69 52.85 0.53 Allowed 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 121.961 0.886 . . . . 0.0 110.92 172.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.1 m -122.76 -26.31 4.5 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 127.244 2.217 . . . . 0.0 109.905 167.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 148.74 -70.48 0.32 Allowed Glycine 0 CA--C 1.527 0.8 0 N-CA-C 108.746 -1.742 . . . . 0.0 108.746 -178.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -71.62 -175.08 1.25 Allowed 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 125.289 1.436 . . . . 0.0 110.948 -174.151 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.9 mp0 -74.18 -54.91 6.76 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 126.209 1.804 . . . . 0.0 112.545 -165.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.45 -77.41 1.31 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.537 -1.025 . . . . 0.0 110.537 -176.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' A' ' 26' ' ' LYS . 9.4 t0 61.31 172.65 0.11 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.453 1.501 . . . . 0.0 109.909 -170.7 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.401 ' N ' ' OD1' ' A' ' 25' ' ' ASP . 45.1 tttp -144.13 -16.07 0.59 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.637 1.575 . . . . 0.0 113.183 -174.154 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.2 p80 -88.48 -147.75 0.16 Allowed 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 120.502 1.501 . . . . 0.0 110.966 -172.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.2 p -58.41 165.86 1.94 Allowed 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 126.195 1.798 . . . . 0.0 111.057 169.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.42 ' HB2' ' CD1' ' A' ' 16' ' ' PHE . 5.6 tt -84.74 148.85 26.14 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 104.468 -2.419 . . . . 0.0 104.468 166.538 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.4 t -102.19 136.25 42.34 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.872 0.844 . . . . 0.0 111.107 -174.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.6 ptpp? -49.9 -23.65 2.07 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.28 -66.07 0.59 Allowed 'General case' 0 C--N 1.341 0.215 0 CA-C-N 119.597 1.09 . . . . 0.0 109.825 175.047 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.7 mp0 -62.3 -29.59 70.54 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -175.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 26.6 tp -46.91 -40.27 13.83 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 118.071 -0.966 . . . . 0.0 111.238 169.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.29 -40.21 47.8 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-N 119.526 1.057 . . . . 0.0 111.763 178.772 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -71.38 -51.07 26.07 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 -178.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 tt -52.62 -53.37 47.75 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.261 -1.336 . . . . 0.0 109.463 -173.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.4 pt -65.61 -14.39 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.125 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -173.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -94.42 -73.82 0.56 Allowed 'General case' 0 N--CA 1.449 -0.504 0 O-C-N 121.556 -0.715 . . . . 0.0 109.795 169.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -69.79 -67.23 0.5 Allowed 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.956 -167.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -64.14 -38.48 91.21 Favored 'General case' 0 CA--C 1.526 0.057 0 C-N-CA 122.16 0.184 . . . . 0.0 110.77 -170.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.4 mt -65.62 -54.7 24.12 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.38 173.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.4 m 72.51 148.07 0.09 Allowed 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.252 0.933 . . . . 0.0 111.85 -178.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 17.8 pt -83.86 49.6 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 O-C-N 120.658 -1.276 . . . . 0.0 109.974 168.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 27.93 -101.21 0.01 OUTLIER Glycine 0 CA--C 1.527 0.808 0 C-N-CA 127.267 2.365 . . . . 0.0 112.087 -169.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 45.9 m -149.55 52.94 0.94 Allowed 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 168.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 45.7 tptt 61.25 24.02 14.17 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.485 1.114 . . . . 0.0 111.884 -178.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.3 mt -73.49 115.88 13.4 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 121.272 -0.892 . . . . 0.0 109.337 -169.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 51.85 36.71 18.76 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.411 1.085 . . . . 0.0 110.698 -170.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.1 t0 59.12 82.7 0.14 Allowed 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.706 1.202 . . . . 0.0 110.775 -171.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.22 -41.97 72.75 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 114.451 -1.25 . . . . 0.0 111.474 -178.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -60.86 -52.03 66.79 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 119.013 0.824 . . . . 0.0 110.332 178.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 19.8 mm -60.45 -48.8 86.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 CA-C-N 118.262 0.483 . . . . 0.0 110.117 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.1 t -55.52 -48.38 77.4 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 O-C-N 121.744 -0.598 . . . . 0.0 110.305 176.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.6 tptp -60.7 -40.16 91.19 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.46 0.704 . . . . 0.0 110.219 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.7 tt -60.53 -48.4 81.95 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.368 0.667 . . . . 0.0 109.358 177.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 73.7 mtm -61.1 -52.23 65.78 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 120.905 0.384 . . . . 0.0 110.249 179.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -49.16 -44.59 42.89 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.859 1.263 . . . . 0.0 111.577 174.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -50.48 -33.99 23.36 Favored 'General case' 0 C--O 1.224 -0.255 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -173.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 67.9 mt -56.35 -29.33 61.24 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.305 1.042 . . . . 0.0 112.606 -173.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -60.29 -16.28 32.93 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.733 -0.604 . . . . 0.0 112.108 177.093 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -55.5 -22.54 21.58 Favored 'General case' 0 C--N 1.34 0.181 0 C-N-CA 124.394 1.077 . . . . 0.0 113.558 172.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -40.78 -50.72 3.15 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 114.336 1.236 . . . . 0.0 114.336 -176.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.1 pttm -79.78 18.75 0.74 Allowed 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 118.175 -0.917 . . . . 0.0 111.331 -174.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -28.5 -66.87 0.08 Allowed 'General case' 0 CA--C 1.509 -0.616 0 C-N-CA 127.425 2.29 . . . . 0.0 110.714 -178.284 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 50.7 -80.5 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.685 0 O-C-N 125.666 1.854 . . . . 0.0 108.952 -167.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -144.56 131.32 20.15 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 103.963 -2.606 . . . . 0.0 103.963 161.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.5 t -46.2 120.98 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 -163.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -102.15 147.72 26.28 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.559 1.544 . . . . 0.0 109.346 -170.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -63.1 -44.9 94.37 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-O 119.098 -0.477 . . . . 0.0 110.507 -170.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -46.98 -56.49 6.32 Favored 'General case' 0 C--O 1.223 -0.31 0 O-C-N 123.672 0.608 . . . . 0.0 109.564 175.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -55.71 -65.77 0.54 Allowed 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -40.3 -51.65 2.74 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.609 1.164 . . . . 0.0 112.103 -178.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 5.8 tp -81.42 -34.91 13.54 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 123.122 0.569 . . . . 0.0 112.175 -174.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 45.9 m -56.42 -47.43 79.07 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 172.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -64.7 -59.59 4.08 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 128.211 2.604 . . . . 0.0 109.424 -174.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 19.7 mt -46.99 -45.6 21.11 Favored 'General case' 0 C--N 1.343 0.319 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 169.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.54 -53.81 40.79 Favored Glycine 0 CA--C 1.527 0.826 0 C-N-CA 125.51 1.529 . . . . 0.0 113.096 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.02 -47.97 81.46 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.063 0.945 . . . . 0.0 109.461 -177.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 70.8 mt -61.16 -52.92 62.82 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 176.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -48.53 -60.2 2.89 Favored 'General case' 0 CA--C 1.516 -0.337 0 C-N-CA 126.041 1.736 . . . . 0.0 110.367 -176.248 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -34.23 -57.65 0.48 Allowed 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 126.077 1.751 . . . . 0.0 110.055 178.018 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 31.4 mm -75.52 -71.27 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 C-N-CA 123.715 0.806 . . . . 0.0 110.995 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . 0.284 0.0 OUTLIER -69.69 -9.82 55.84 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 116.336 1.976 . . . . 0.0 116.336 -165.209 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.25 -70.36 0.27 Allowed 'General case' 0 C--N 1.342 0.266 0 CA-C-N 119.907 1.23 . . . . 0.0 109.005 171.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -164.77 42.53 0.08 Allowed 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 125.814 1.646 . . . . 0.0 110.874 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 45.81 43.64 10.11 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 118.277 0.489 . . . . 0.0 110.182 -172.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 58.3 mt 71.49 51.93 0.25 Allowed 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 127.283 2.233 . . . . 0.0 112.064 -178.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt 50.12 51.96 15.65 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.395 0 N-CA-C 109.213 -1.555 . . . . 0.0 109.213 -168.574 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 46.7 ttp . . . . . 0 N--CA 1.45 -0.465 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.7 73.89 0.57 Allowed 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.656 0.782 . . . . 0.0 111.059 -178.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 42.4 t -49.26 145.88 6.83 Favored Pre-proline 0 CA--C 1.537 0.444 0 C-N-CA 124.35 1.06 . . . . 0.0 109.213 169.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -40.12 -45.12 4.01 Favored 'Trans proline' 0 N--CA 1.459 -0.509 0 C-N-CA 123.859 3.039 . . . . 0.0 114.457 179.012 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 86.1 mt -58.88 -53.42 58.64 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 122.413 0.285 . . . . 0.0 110.726 176.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -59.6 -40.18 86.64 Favored 'General case' 0 C--O 1.224 -0.275 0 C-N-CA 123.127 0.571 . . . . 0.0 110.477 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 12.0 tp60 -62.75 -50.56 70.58 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 118.348 0.522 . . . . 0.0 110.539 176.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.99 -54.02 51.85 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.065 0.546 . . . . 0.0 110.248 -178.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 19.4 mm -51.61 -44.81 35.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 C-N-CA 123.699 0.799 . . . . 0.0 109.378 171.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -51.07 -45.02 51.57 Favored Glycine 0 CA--C 1.523 0.562 0 C-N-CA 126.7 2.095 . . . . 0.0 111.692 176.462 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 73.0 mt -56.75 -53.42 58.04 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 118.765 1.283 . . . . 0.0 109.674 174.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 73.1 mt -56.11 -43.28 77.99 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 122.649 0.38 . . . . 0.0 110.938 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.41 -34.78 67.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 123.722 0.809 . . . . 0.0 111.109 177.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.02 -47.66 64.12 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.088 -1.205 . . . . 0.0 110.088 178.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 78.4 mt -61.36 -48.9 86.75 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 C-N-CA 125.928 1.691 . . . . 0.0 109.765 177.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -29.93 -71.13 0.05 OUTLIER 'General case' 0 C--O 1.225 -0.185 0 C-N-CA 127.236 2.215 . . . . 0.0 113.683 -170.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -92.05 3.02 56.18 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -175.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' LYS . . . . . 0.439 ' HZ2' ' CA ' ' B' ' 18' ' ' LYS . 0.0 OUTLIER -55.12 -34.8 64.02 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 119.159 0.89 . . . . 0.0 111.013 176.619 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -55.34 -38.82 69.26 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 124.178 0.991 . . . . 0.0 111.294 176.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 67.3 m -73.21 5.53 3.46 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-O 118.446 -0.788 . . . . 0.0 112.888 175.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -44.34 -37.08 4.54 Favored Glycine 0 CA--C 1.532 1.128 0 CA-C-N 119.702 1.137 . . . . 0.0 114.261 -174.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -56.53 -41.9 77.57 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.82 0.848 . . . . 0.0 112.006 177.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -73.94 -49.68 23.56 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 125.147 1.379 . . . . 0.0 108.434 173.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.16 176.04 25.23 Favored Glycine 0 CA--C 1.526 0.726 0 C-N-CA 126.707 2.099 . . . . 0.0 108.228 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -65.28 -11.76 44.76 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 117.784 -1.103 . . . . 0.0 112.444 178.016 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -17.0 117.13 0.02 OUTLIER 'General case' 0 C--N 1.35 0.587 0 C-N-CA 129.493 3.117 . . . . 0.0 111.753 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -73.55 44.84 0.17 Allowed 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 116.594 2.072 . . . . 0.0 116.594 -163.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 10.8 p -150.05 134.0 16.96 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.932 2.093 . . . . 0.0 105.726 168.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 2.5 tt -88.61 115.26 26.01 Favored 'General case' 0 CA--C 1.528 0.125 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -169.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.6 p -62.67 130.79 46.58 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 121.594 -0.691 . . . . 0.0 111.041 177.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 2.4 pttm -46.13 -45.15 16.35 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 122.874 0.47 . . . . 0.0 112.156 -179.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 17.9 pttp -68.8 -17.29 64.0 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -176.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -93.83 -7.56 42.96 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 119.482 1.037 . . . . 0.0 112.043 168.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 9.3 tp -67.2 -33.54 75.6 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.901 0.773 . . . . 0.0 110.265 171.372 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 3.0 pptp? -41.36 -53.47 3.29 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 119.117 0.871 . . . . 0.0 112.376 176.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -42.99 -48.9 6.03 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 125.207 1.403 . . . . 0.0 112.235 174.702 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 tt -72.44 -46.75 53.55 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 125.916 1.686 . . . . 0.0 108.767 -171.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 2.2 pt -72.72 -49.62 39.3 Favored 'Isoleucine or valine' 0 C--N 1.341 0.233 0 CA-C-O 118.986 -0.53 . . . . 0.0 111.648 -177.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -50.1 -50.01 49.77 Favored 'General case' 0 C--N 1.339 0.119 0 CA-C-N 118.609 0.641 . . . . 0.0 110.254 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -94.19 -102.93 0.14 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.238 0.615 . . . . 0.0 112.349 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -30.49 -64.2 0.13 Allowed 'General case' 0 C--N 1.343 0.319 0 C-N-CA 129.155 2.982 . . . . 0.0 114.511 -168.09 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.4 HD21 ' CE2' ' B' ' 76' ' ' PHE 0.402 2.2 pp -89.5 15.16 9.79 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 -169.289 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 45.6 p -133.29 -166.67 1.8 Allowed 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 167.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . 0.271 61.2 mt 78.99 -47.41 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 125.997 1.719 . . . . 0.0 112.204 178.674 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -47.85 125.63 12.15 Favored Glycine 0 CA--C 1.532 1.112 0 N-CA-C 108.793 -1.723 . . . . 0.0 108.793 168.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 2.6 m 46.46 32.51 1.62 Allowed 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.684 1.194 . . . . 0.0 113.769 -176.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 59.2 mttt -134.9 -41.67 0.75 Allowed 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.518 1.127 . . . . 0.0 110.76 175.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 7.6 mp 60.38 73.46 0.48 Allowed 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.851 1.26 . . . . 0.0 109.684 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 74.17 -39.03 0.41 Allowed 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 126.121 1.769 . . . . 0.0 113.562 175.365 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . 0.272 3.3 p30 50.64 -119.17 1.33 Allowed 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.59 1.556 . . . . 0.0 111.816 -178.579 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -156.29 140.8 16.82 Favored 'General case' 0 C--O 1.221 -0.414 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 -175.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -62.44 -20.71 64.8 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 119.266 0.939 . . . . 0.0 112.683 -178.258 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 74.8 mt -62.96 -47.58 92.13 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 167.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 70.4 t -66.05 -43.64 92.36 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.28 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.39 -45.55 84.39 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.547 1.139 . . . . 0.0 110.881 178.153 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 62.4 tp -58.97 -47.54 84.76 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 173.101 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 41.1 tpp -56.08 -39.33 71.93 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 118.533 -0.746 . . . . 0.0 111.349 176.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.458 ' C ' ' H ' ' B' ' 60' ' ' LEU . 72.1 m-20 -62.23 -11.23 13.69 Favored 'General case' 0 CA--C 1.517 -0.323 0 C-N-CA 124.374 1.069 . . . . 0.0 113.174 176.649 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -69.67 27.96 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 120.101 1.319 . . . . 0.0 110.136 165.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.458 ' H ' ' C ' ' B' ' 58' ' ' ASP . 39.2 tp -60.25 -23.91 64.46 Favored 'General case' 0 C--N 1.343 0.304 0 C-N-CA 127.173 2.189 . . . . 0.0 112.542 -169.555 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -61.28 -7.29 2.73 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 125.56 1.544 . . . . 0.0 112.57 167.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 10.0 ttm105 -25.19 -37.55 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 131.076 3.75 . . . . 0.0 116.374 -172.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -47.7 -23.62 0.74 Allowed 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 171.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -6.5 1.5 Allowed 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 114.857 1.428 . . . . 0.0 114.857 173.056 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -26.56 -48.42 0.03 OUTLIER 'General case' 0 C--N 1.343 0.29 0 C-N-CA 127.06 2.144 . . . . 0.0 115.79 -169.127 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -48.56 -65.5 0.56 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 122.625 0.37 . . . . 0.0 111.862 177.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -169.33 153.23 5.22 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 130.422 3.489 . . . . 0.0 105.192 170.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 1.8 t -85.99 121.64 37.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 C-N-CA 123.601 0.76 . . . . 0.0 108.969 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -86.06 164.58 17.24 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 168.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -55.35 -41.72 72.91 Favored 'General case' 0 N--CA 1.454 -0.226 0 O-C-N 121.903 -0.498 . . . . 0.0 111.351 -172.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -58.23 -55.12 39.13 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -176.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -56.87 -52.53 64.77 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 121.731 -0.606 . . . . 0.0 109.739 178.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -45.92 -55.52 6.63 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.582 1.153 . . . . 0.0 111.512 177.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 11.0 tp -75.96 -36.92 33.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 O-C-N 121.845 -0.535 . . . . 0.0 111.501 -173.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 82.2 m -55.12 -53.53 54.71 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 122.124 0.964 . . . . 0.0 109.021 173.157 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.4 ' CE2' HD21 ' B' ' 42' ' ' LEU . 32.6 t80 -55.6 -56.51 19.44 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 126.366 1.866 . . . . 0.0 111.044 178.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 16.7 mt -48.0 -48.58 32.56 Favored 'General case' 0 C--O 1.224 -0.246 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 173.02 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.76 -60.13 7.28 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 124.31 0.957 . . . . 0.0 112.827 175.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.71 -50.0 71.52 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.539 0.735 . . . . 0.0 110.397 -176.47 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 95.2 mt -66.85 -46.03 76.32 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 119.488 -0.291 . . . . 0.0 111.123 -178.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -48.44 -48.44 37.43 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 124.756 1.223 . . . . 0.0 111.723 -174.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 86.4 mtp -45.25 -43.18 10.2 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.437 0.695 . . . . 0.0 111.387 176.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 33.0 mm -90.3 -62.2 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 C-N-CA 123.714 0.806 . . . . 0.0 110.326 -175.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -74.75 -32.23 62.02 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -168.394 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.38 -84.6 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 119.384 0.993 . . . . 0.0 112.358 -167.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -154.91 33.18 0.4 Allowed 'General case' 0 C--O 1.234 0.248 0 C-N-CA 124.916 1.286 . . . . 0.0 110.54 -174.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . 46.55 44.52 13.42 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 -168.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 21.8 mt 73.69 49.86 0.13 Allowed 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 127.278 2.231 . . . . 0.0 112.864 178.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt 73.24 137.85 0.05 Allowed 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 127.656 2.382 . . . . 0.0 112.34 174.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.352 0 N-CA-C 108.72 -1.752 . . . . 0.0 108.72 -169.556 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.4 mtp . . . . . 0 N--CA 1.451 -0.394 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 86.94 25.64 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 127.377 2.271 . . . . 0.0 110.798 176.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -60.4 162.52 10.81 Favored Pre-proline 0 N--CA 1.449 -0.489 0 C-N-CA 124.928 1.291 . . . . 0.0 108.8 169.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -47.15 -56.95 2.61 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 122.388 2.059 . . . . 0.0 111.669 175.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 pp -56.56 -42.16 78.11 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 121.776 -0.578 . . . . 0.0 111.662 178.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -55.96 -47.42 77.66 Favored 'General case' 0 C--O 1.222 -0.38 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 177.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -60.81 -48.4 81.96 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 120.898 0.38 . . . . 0.0 110.56 177.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.61 -26.7 67.95 Favored 'General case' 0 C--O 1.233 0.206 0 N-CA-C 112.797 0.665 . . . . 0.0 112.797 -176.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.4 mp -75.47 -49.53 26.91 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 N-CA-C 107.686 -1.228 . . . . 0.0 107.686 168.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.42 -44.83 11.25 Favored Glycine 0 C--O 1.225 -0.415 0 C-N-CA 127.78 2.61 . . . . 0.0 112.01 -179.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.72 -52.66 55.29 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 117.789 0.794 . . . . 0.0 109.999 176.41 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.1 mp -69.2 -37.38 78.08 Favored 'General case' 0 CA--C 1.531 0.233 0 O-C-N 121.707 -0.621 . . . . 0.0 110.819 -177.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.5 mm -60.5 -43.14 93.68 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 O-C-N 121.665 -0.647 . . . . 0.0 110.445 173.263 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.71 -57.87 14.44 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 109.9 -1.28 . . . . 0.0 109.9 174.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 75.0 mt -56.31 -47.4 81.24 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 C-N-CA 122.974 0.509 . . . . 0.0 111.261 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -38.46 -62.7 0.57 Allowed 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 115.726 1.751 . . . . 0.0 115.726 -167.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -82.77 9.47 9.67 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -174.596 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 tptp -64.62 -34.33 78.03 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 119.218 0.917 . . . . 0.0 112.366 -176.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.407 ' CZ ' ' HG ' ' A' ' 37' ' ' LEU . 86.3 m-85 -72.44 156.3 39.19 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 -166.673 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 96.1 p 39.33 37.73 0.29 Allowed 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 128.437 2.695 . . . . 0.0 114.932 -174.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 85.59 126.62 1.75 Allowed Glycine 0 CA--C 1.526 0.737 0 CA-C-N 119.226 0.921 . . . . 0.0 112.071 169.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.263 14.9 pttp 75.87 135.59 0.06 Allowed 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 130.406 3.483 . . . . 0.0 112.923 169.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -81.85 -170.47 2.86 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-O 122.392 1.092 . . . . 0.0 110.384 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.69 -95.96 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 125.94 1.733 . . . . 0.0 111.035 173.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -68.2 79.44 0.24 Allowed 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 122.117 0.96 . . . . 0.0 111.498 175.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -145.28 48.46 1.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 102.025 -3.324 . . . . 0.0 102.025 163.146 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.3 p-80 -51.74 -38.2 54.32 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 126.637 1.975 . . . . 0.0 110.724 -169.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.1 p -134.57 150.14 50.7 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 106.166 -1.79 . . . . 0.0 106.166 168.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -107.43 179.42 4.25 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.962 1.705 . . . . 0.0 107.913 174.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.2 p -158.71 96.79 1.4 Allowed 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.092 -1.005 . . . . 0.0 110.297 -178.056 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.283 0.1 OUTLIER 58.02 -61.63 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 128.622 2.769 . . . . 0.0 115.901 175.196 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.08 -42.23 85.12 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.508 0.723 . . . . 0.0 110.009 -172.101 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 59.2 mp0 -60.49 -46.49 89.93 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 175.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -60.81 -39.92 90.78 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 -176.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -61.75 -45.09 95.39 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 118.076 0.398 . . . . 0.0 111.844 171.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -55.97 -35.97 67.33 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 121.753 0.787 . . . . 0.0 111.371 173.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.462 ' CD2' ' HG ' ' A' ' 42' ' ' LEU . 4.9 tt -89.02 -78.89 0.33 Allowed 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 127.262 2.225 . . . . 0.0 111.889 -168.27 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 7.5 pt -54.91 -37.77 42.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.175 0 C-N-CA 123.746 0.818 . . . . 0.0 112.599 -166.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -68.06 -29.96 69.05 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 122.943 0.497 . . . . 0.0 110.728 -175.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -91.73 -62.31 1.45 Allowed 'General case' 0 C--O 1.235 0.291 0 C-N-CA 123.015 0.526 . . . . 0.0 110.624 175.187 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.3 mp0 -86.47 -100.69 0.07 Allowed 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.084 0.954 . . . . 0.0 111.968 -169.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.462 ' HG ' ' CD2' ' A' ' 37' ' ' LEU . 23.0 mt -28.66 -93.51 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 116.967 2.21 . . . . 0.0 116.967 -164.217 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.9 p -81.39 48.54 1.17 Allowed 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 124.203 1.001 . . . . 0.0 112.799 -166.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.8 tt -172.96 -51.77 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.527 0.074 0 C-N-CA 124.311 1.044 . . . . 0.0 109.273 175.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.12 37.24 63.91 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.219 -1.152 . . . . 0.0 110.219 -175.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.2 m 62.57 -37.06 0.14 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 127.748 2.419 . . . . 0.0 116.903 176.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.62 34.85 0.1 Allowed 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 126.287 1.835 . . . . 0.0 114.504 -168.162 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 37.1 mt 53.78 -148.77 0.44 Allowed 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.757 0.823 . . . . 0.0 109.845 -170.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 50.08 77.0 0.12 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.944 0.897 . . . . 0.0 109.204 -171.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -150.55 176.96 10.48 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 128.84 2.856 . . . . 0.0 104.77 176.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -131.65 153.26 50.14 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 118.9 0.773 . . . . 0.0 109.598 173.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.05 -46.08 89.19 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 176.207 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 43.7 pt -57.96 -39.71 73.14 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 C-N-CA 122.467 0.307 . . . . 0.0 111.227 174.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 41.5 t -65.35 -55.34 20.64 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.276 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 178.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -35.03 77.34 Favored 'General case' 0 CA--C 1.53 0.195 0 O-C-N 121.928 -0.482 . . . . 0.0 111.902 -175.473 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 64.3 tp -59.58 -50.66 73.03 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.19 0.596 . . . . 0.0 109.987 170.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.3 tpt -62.22 -53.66 52.05 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.091 0.405 . . . . 0.0 110.993 -177.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -35.01 -64.46 0.27 Allowed 'General case' 0 C--N 1.337 0.065 0 C-N-CA 126.374 1.869 . . . . 0.0 110.659 -176.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -55.96 -13.07 1.66 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.886 1.674 . . . . 0.0 114.412 -169.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.0 mt -90.74 -36.42 14.31 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.919 1.288 . . . . 0.0 111.766 -175.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -54.64 -45.58 73.81 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-O 121.374 0.607 . . . . 0.0 109.616 -177.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 25.3 ptt85 -65.24 23.14 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.496 1.918 . . . . 0.0 114.634 174.012 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -29.51 -34.43 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 129.77 3.228 . . . . 0.0 117.412 -176.189 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -72.86 57.05 0.43 Allowed 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 119.665 1.121 . . . . 0.0 109.714 172.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -55.04 -24.15 23.43 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.644 1.578 . . . . 0.0 110.947 176.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -57.98 -47.83 81.81 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.286 0.634 . . . . 0.0 112.656 170.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -154.91 112.05 3.33 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 126.351 1.86 . . . . 0.0 107.613 -169.377 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.4 t -115.9 126.11 73.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -176.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -110.54 179.62 4.02 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 125.118 1.367 . . . . 0.0 108.563 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -53.27 -39.78 64.16 Favored 'General case' 0 C--O 1.221 -0.397 0 C-N-CA 123.373 0.669 . . . . 0.0 109.327 172.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.22 -53.85 31.21 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.459 1.104 . . . . 0.0 111.028 -177.476 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 58.4 mp0 -64.89 -55.33 20.02 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 177.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -45.65 -41.59 10.46 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.981 1.312 . . . . 0.0 112.826 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 9.3 tp -82.57 -45.21 19.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.291 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.0 m -48.35 -46.7 37.05 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 119.465 1.03 . . . . 0.0 109.875 176.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -50.21 -55.86 13.49 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 127.305 2.242 . . . . 0.0 111.688 177.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 92.9 mt -58.07 -48.62 79.59 Favored 'General case' 0 C--O 1.224 -0.24 0 O-C-N 121.72 -0.613 . . . . 0.0 109.667 171.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -43.96 -37.28 4.14 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 126.165 1.841 . . . . 0.0 113.495 175.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -82.97 -60.49 2.14 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 117.763 0.782 . . . . 0.0 112.396 173.151 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -78.82 -34.06 45.59 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 -166.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.414 ' HB3' HD23 ' A' ' 88' ' ' LEU 0.312 . . -61.91 -21.94 65.17 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 117.25 2.315 . . . . 0.0 117.25 -166.271 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.473 ' CB ' ' HG ' ' A' ' 88' ' ' LEU . 2.1 mmm -69.89 -35.68 74.82 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 120.725 1.602 . . . . 0.0 108.064 173.127 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 30.6 mm -69.59 -53.11 26.29 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 -179.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -91.27 -49.47 6.35 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 114.946 1.462 . . . . 0.0 114.946 -170.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -95.23 -104.73 0.15 Allowed 'General case' 0 C--N 1.346 0.428 0 CA-C-N 119.932 1.242 . . . . 0.0 111.377 -170.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 176.02 -179.15 0.15 Allowed 'General case' 0 N--CA 1.445 -0.721 1 C-N-CA 131.798 4.039 . . . . 0.0 104.552 176.057 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 48.64 17.17 0.13 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.569 1.548 . . . . 0.0 112.659 -170.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.49 HD13 ' CG ' ' B' ' 70' ' ' PHE . 0.5 OUTLIER 37.89 39.56 0.24 Allowed 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.641 1.576 . . . . 0.0 111.643 -164.831 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt 171.97 154.17 0.07 Allowed 'General case' 0 C--N 1.339 0.128 0 C-N-CA 124.364 1.066 . . . . 0.0 110.081 175.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.426 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 172.351 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.514 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -166.93 -20.79 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 115.179 1.548 . . . . 0.0 115.179 -172.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.58 164.55 37.8 Favored Pre-proline 0 CA--C 1.537 0.476 0 CA-C-N 119.582 1.083 . . . . 0.0 111.149 -172.505 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -49.45 -41.92 42.71 Favored 'Trans proline' 0 N--CA 1.454 -0.839 0 C-N-CA 123.007 2.471 . . . . 0.0 112.231 171.332 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 86.0 mt -63.63 -55.7 21.6 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.72 -56.8 5.59 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 125.765 1.626 . . . . 0.0 109.615 178.662 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -52.48 -53.22 48.52 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.029 0.932 . . . . 0.0 110.34 176.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.26 -48.31 82.1 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.155 0.582 . . . . 0.0 112.102 -176.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.7 mp -58.09 -53.93 39.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 175.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.28 -46.0 28.09 Favored Glycine 0 CA--C 1.532 1.141 0 CA-C-N 118.33 0.514 . . . . 0.0 111.861 176.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 49.2 tp -56.02 -27.4 52.89 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.24 1.016 . . . . 0.0 112.044 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.75 -43.04 99.63 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 120.408 1.458 . . . . 0.0 110.639 174.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -68.11 -42.24 84.87 Favored 'Isoleucine or valine' 0 C--N 1.342 0.271 0 CA-C-N 118.762 0.71 . . . . 0.0 109.258 169.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -46.11 -59.21 5.23 Favored Glycine 0 CA--C 1.533 1.204 0 CA-C-N 118.806 0.73 . . . . 0.0 111.851 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 21.5 mm -58.34 -52.74 55.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 125.435 1.494 . . . . 0.0 110.069 176.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.431 ' CD2' ' HD2' ' B' ' 70' ' ' PHE . 5.7 t80 -37.14 -76.44 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 125.165 1.386 . . . . 0.0 114.456 -167.49 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -71.04 -21.19 62.29 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 122.253 -0.279 . . . . 0.0 111.464 -176.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.32 -33.85 72.0 Favored 'General case' 0 C--N 1.341 0.206 0 O-C-N 121.496 -0.752 . . . . 0.0 109.699 -179.653 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -78.51 53.44 1.3 Allowed 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 121.995 0.902 . . . . 0.0 111.132 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 7.1 m -129.67 25.85 5.34 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 126.216 1.807 . . . . 0.0 110.135 168.305 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.77 -55.43 3.82 Favored Glycine 0 C--N 1.337 0.618 0 C-N-CA 126.435 1.969 . . . . 0.0 113.905 168.048 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -87.1 -140.9 0.1 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.923 0.889 . . . . 0.0 110.722 -168.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.5 pm0 -38.58 -54.59 1.51 Allowed 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 126.541 1.936 . . . . 0.0 112.519 176.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.27 31.24 6.25 Favored Glycine 0 CA--C 1.529 0.915 0 C-N-CA 124.862 1.22 . . . . 0.0 112.887 173.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 25.0 p-10 -80.99 -46.16 15.51 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 128.971 2.909 . . . . 0.0 109.995 171.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 39.5 mmtm -44.92 113.92 0.64 Allowed 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 126.281 1.832 . . . . 0.0 109.258 -173.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 14.2 p80 -76.88 60.87 1.83 Allowed 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.444 0.698 . . . . 0.0 109.9 -177.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 3.3 p -163.61 162.69 24.43 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 128.175 2.59 . . . . 0.0 105.48 -171.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 mp -111.36 131.4 55.2 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 104.833 -2.284 . . . . 0.0 104.833 168.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 28.0 m -87.97 152.93 21.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 118.558 0.617 . . . . 0.0 110.722 -174.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 7.4 pttm -59.73 140.63 56.34 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.878 -0.514 . . . . 0.0 109.866 175.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . 0.409 0.0 OUTLIER 92.04 -41.71 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 129.979 3.311 . . . . 0.0 110.834 -169.674 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 58.3 mp0 -66.56 -36.36 82.45 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.902 1.228 . . . . 0.0 111.45 174.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.91 -49.5 75.92 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 119.497 1.044 . . . . 0.0 109.544 174.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.77 -25.85 12.52 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.184 0.594 . . . . 0.0 111.3 171.196 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -77.86 -58.93 3.0 Favored 'General case' 0 N--CA 1.449 -0.514 0 O-C-N 121.048 -1.033 . . . . 0.0 111.502 177.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . 0.278 4.0 pp -53.67 -41.83 67.27 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -178.123 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 20.8 tt -60.86 -34.53 59.78 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 120.294 -0.563 . . . . 0.0 111.754 178.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 11.8 tp60 -72.45 -60.79 2.06 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 119.187 -0.435 . . . . 0.0 111.131 -169.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 16.2 mtmm -93.57 -63.68 1.18 Allowed 'General case' 0 CA--C 1.529 0.168 0 CA-C-O 121.57 0.7 . . . . 0.0 110.361 -175.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 33.5 mp0 -54.2 -55.46 27.74 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 126.803 2.041 . . . . 0.0 111.473 -167.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 22.1 mt -63.06 -9.68 11.37 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 178.394 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 32.1 m 73.22 -68.08 0.24 Allowed 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 125.227 1.411 . . . . 0.0 113.201 168.134 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 43.6 pt 38.53 44.63 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 126.784 2.034 . . . . 0.0 113.477 -178.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -76.55 -56.92 4.04 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 109.207 -1.557 . . . . 0.0 109.207 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 7.6 m -68.77 70.22 0.19 Allowed 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.706 1.202 . . . . 0.0 109.553 171.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.0 45.85 0.55 Allowed 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 125.243 1.417 . . . . 0.0 113.13 -169.062 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 62.0 tp -48.94 122.68 6.04 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.706 1.202 . . . . 0.0 109.528 172.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 71.11 -34.53 0.3 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.93 1.692 . . . . 0.0 114.55 175.013 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -40.59 139.07 0.85 Allowed 'General case' 0 C--O 1.236 0.357 0 C-N-CA 125.187 1.395 . . . . 0.0 112.716 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -135.69 161.82 34.47 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 125.29 1.436 . . . . 0.0 108.279 172.081 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -56.84 -30.99 64.31 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 123.529 0.732 . . . . 0.0 109.764 177.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 78.0 mt -55.63 -48.26 77.89 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 C-N-CA 123.143 0.577 . . . . 0.0 109.917 169.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 38.6 t -63.86 -44.11 98.01 Favored 'Isoleucine or valine' 0 C--N 1.34 0.185 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -55.0 -52.66 62.42 Favored 'General case' 0 C--O 1.222 -0.358 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 176.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -56.89 -40.73 76.78 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.264 0.483 . . . . 0.0 111.39 178.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 46.3 tpp -58.1 -56.44 21.99 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 118.344 0.52 . . . . 0.0 110.521 175.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.473 ' C ' ' H ' ' B' ' 60' ' ' LEU . 60.9 m-20 -84.14 -4.76 59.01 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 -172.515 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -68.2 32.03 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.856 1.662 . . . . 0.0 108.543 163.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.473 ' H ' ' C ' ' B' ' 58' ' ' ASP . 25.4 tp -47.37 -19.89 0.18 Allowed 'General case' 0 C--N 1.348 0.509 0 C-N-CA 129.446 3.098 . . . . 0.0 112.398 -170.253 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -36.46 -37.26 0.12 Allowed 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.878 2.071 . . . . 0.0 110.021 162.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.65 -10.98 21.7 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 126.483 1.913 . . . . 0.0 113.549 -177.121 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -51.34 -37.69 49.14 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.897 0.879 . . . . 0.0 109.252 168.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . 0.267 18.1 pttp 60.63 -53.43 0.09 Allowed 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 118.191 2.663 . . . . 0.0 118.191 168.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -78.06 32.57 0.18 Allowed 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 120.426 1.466 . . . . 0.0 113.544 -166.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.2 -174.11 0.86 Allowed 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 127.014 2.126 . . . . 0.0 106.735 -177.157 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -110.66 159.69 17.36 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 105.361 -2.089 . . . . 0.0 105.361 165.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 25.0 t -97.07 149.58 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 123.437 0.695 . . . . 0.0 109.251 -168.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -107.12 166.4 10.65 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.717 1.207 . . . . 0.0 110.451 176.644 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.49 ' CG ' HD13 ' A' ' 88' ' ' LEU . 7.4 t80 -48.81 -48.62 41.31 Favored 'General case' 0 C--N 1.343 0.304 0 C-N-CA 124.26 1.024 . . . . 0.0 110.526 -175.696 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -51.96 -56.23 15.47 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 122.866 0.466 . . . . 0.0 109.775 -174.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -56.0 -50.33 71.15 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 122.859 0.464 . . . . 0.0 110.488 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -48.56 -66.43 0.4 Allowed 'General case' 0 C--O 1.231 0.09 0 C-N-CA 123.733 0.813 . . . . 0.0 110.286 175.315 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 9.2 tp -62.54 -32.79 56.49 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 -171.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 85.2 m -62.14 -46.48 88.79 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 118.453 -0.784 . . . . 0.0 111.1 174.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . 0.276 0.3 OUTLIER -65.35 -44.22 88.37 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 119.798 1.181 . . . . 0.0 110.597 176.903 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 6.9 mp -51.78 -37.96 53.58 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.436 -0.79 . . . . 0.0 111.224 169.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -69.58 -45.17 60.57 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 124.481 1.039 . . . . 0.0 112.802 178.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.41 -48.68 74.01 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.459 0.703 . . . . 0.0 109.278 174.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 85.7 mt -59.53 -48.54 81.26 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 119.215 -0.421 . . . . 0.0 110.537 171.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -46.02 -57.38 4.48 Favored 'General case' 0 CA--C 1.517 -0.318 0 C-N-CA 125.476 1.51 . . . . 0.0 111.732 -175.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 75.2 mtm -42.85 -47.5 5.58 Favored 'General case' 0 CA--C 1.529 0.168 0 O-C-N 124.268 0.98 . . . . 0.0 110.461 178.187 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 65.2 mt -77.55 -73.98 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.628 0 C-N-CA 124.061 0.944 . . . . 0.0 110.267 -177.04 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.45 -25.96 68.24 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 113.348 0.869 . . . . 0.0 113.348 -167.656 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -68.64 -55.84 10.17 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 119.159 0.891 . . . . 0.0 110.702 -179.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 27.1 pt-20 -157.85 13.57 0.21 Allowed 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 115.636 1.717 . . . . 0.0 115.636 -174.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . 49.23 33.27 4.93 Favored 'General case' 0 CA--C 1.537 0.442 0 CA-C-N 119.736 1.153 . . . . 0.0 110.754 -169.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.679 ' O ' ' OXT' ' B' ' 90' ' ' GLY . 57.4 mt 49.05 26.23 1.33 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.47 1.508 . . . . 0.0 112.591 -173.543 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 89' ' ' LYS . . . . . 0.421 ' C ' ' OXT' ' B' ' 90' ' ' GLY . 0.4 OUTLIER 43.05 42.16 3.08 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.887 1.275 . . . . 0.0 110.331 -171.323 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 90' ' ' GLY . . . . . 0.679 ' OXT' ' O ' ' B' ' 88' ' ' LEU . . . . . . . . 0 C--O 1.27 2.353 0 N-CA-C 109.793 -1.323 . . . . 0.0 109.793 -169.607 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.5 mtp . . . . . 0 N--CA 1.448 -0.56 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.15 -14.27 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 115.112 1.523 . . . . 0.0 115.112 -172.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.06 165.26 22.76 Favored Pre-proline 0 CA--C 1.539 0.519 0 C-N-CA 123.694 0.798 . . . . 0.0 110.882 -175.771 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -50.75 -46.56 29.48 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 122.864 2.376 . . . . 0.0 112.716 176.087 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 84.3 mt -57.17 -55.5 33.87 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 175.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -47.96 -49.42 30.51 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.608 1.563 . . . . 0.0 110.465 177.12 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -58.15 -45.39 87.52 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.308 0.643 . . . . 0.0 110.669 175.361 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.03 -43.22 86.67 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 121.868 -0.52 . . . . 0.0 111.013 175.223 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 43.1 mm -55.68 -45.01 79.0 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-N 118.99 0.814 . . . . 0.0 109.091 171.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.53 -53.19 13.08 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 123.653 0.644 . . . . 0.0 112.275 169.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.5 mt -57.08 -48.13 79.34 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 121.281 -1.129 . . . . 0.0 110.53 177.242 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 mp -57.77 -40.74 80.51 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.32 0.648 . . . . 0.0 111.645 178.006 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 67.4 mt -58.83 -44.57 90.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 C-N-CA 123.856 0.862 . . . . 0.0 109.478 171.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -50.06 -64.21 3.71 Favored Glycine 0 CA--C 1.528 0.859 0 N-CA-C 110.427 -1.069 . . . . 0.0 110.427 171.296 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.8 mp -52.58 -48.43 47.54 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 117.731 0.765 . . . . 0.0 110.172 -177.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -43.12 -73.82 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 124.351 1.061 . . . . 0.0 110.178 170.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . 0.331 1.0 OUTLIER -75.0 -7.12 52.73 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 115.177 1.547 . . . . 0.0 115.177 -170.811 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -64.0 -20.01 65.59 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 118.738 -0.648 . . . . 0.0 112.406 170.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -87.72 -40.02 14.47 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 120.022 1.283 . . . . 0.0 110.83 -179.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.3 p -59.49 -1.45 0.23 Allowed 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.25 -58.94 10.42 Favored Glycine 0 CA--C 1.528 0.9 0 N-CA-C 110.228 -1.149 . . . . 0.0 110.228 173.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -78.54 -128.03 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.217 1.007 . . . . 0.0 111.716 -169.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.6 pm0 -58.31 -39.99 80.84 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 120.597 1.544 . . . . 0.0 112.455 -177.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -42.56 139.48 2.5 Favored Glycine 0 CA--C 1.529 0.958 0 C-N-CA 125.254 1.407 . . . . 0.0 114.742 -178.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.402 ' OD1' ' NE2' ' A' ' 27' ' ' HIS . 20.9 t70 -48.46 145.54 3.41 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.643 1.177 . . . . 0.0 112.482 173.64 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -100.28 47.45 0.93 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.057 0.943 . . . . 0.0 112.062 -172.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.402 ' NE2' ' OD1' ' A' ' 25' ' ' ASP . 0.1 OUTLIER -167.1 -44.88 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.043 0.937 . . . . 0.0 110.067 169.3 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 48.3 p -98.46 -149.32 0.34 Allowed 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 169.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 21.1 mt -138.43 134.39 34.01 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 106.218 -1.771 . . . . 0.0 106.218 167.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.4 m -68.44 140.04 55.75 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 173.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -43.24 -51.28 6.23 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.163 1.385 . . . . 0.0 111.547 -177.193 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.8 tmtt? -48.49 -43.95 35.37 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.599 1.16 . . . . 0.0 111.834 177.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -66.29 -39.09 89.13 Favored 'General case' 0 N--CA 1.451 -0.424 0 O-C-N 121.845 -0.534 . . . . 0.0 109.88 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 34' ' ' LEU . 18.5 tp -66.03 -37.49 86.0 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 119.712 -0.795 . . . . 0.0 110.238 177.652 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -59.53 -37.63 78.88 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 118.068 0.394 . . . . 0.0 111.925 171.338 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -68.37 -44.39 75.3 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 123.167 1.46 . . . . 0.0 110.702 176.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 tt -62.45 -66.55 0.52 Allowed 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 125.379 1.472 . . . . 0.0 109.822 -177.045 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -35.9 -49.13 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 C-N-CA 125.462 1.505 . . . . 0.0 113.797 -169.224 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -51.22 -39.23 56.11 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 118.706 -0.664 . . . . 0.0 112.403 -169.17 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.23 -86.92 0.26 Allowed 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 121.476 0.655 . . . . 0.0 112.636 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.4 mp0 -50.76 -46.72 59.53 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 126.455 1.902 . . . . 0.0 114.743 -165.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.4 mt -77.16 -9.89 59.05 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -168.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.1 p -73.76 177.07 5.74 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 118.454 0.57 . . . . 0.0 110.633 -175.414 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 31.7 pt -50.11 -31.73 7.99 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-O 121.191 0.52 . . . . 0.0 110.955 169.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 157.16 -34.18 0.55 Allowed Glycine 0 CA--C 1.528 0.887 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 -171.182 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.4 m -150.91 55.38 0.89 Allowed 'General case' 0 CA--C 1.53 0.21 0 O-C-N 121.869 -0.783 . . . . 0.0 111.558 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 48.4 tptt 52.34 22.2 1.95 Allowed 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 167.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.8 tp 43.63 50.41 6.53 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.262 -0.898 . . . . 0.0 110.23 -170.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.25 20.15 2.51 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.959 2.104 . . . . 0.0 114.738 -177.131 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.9 t70 48.28 41.25 15.85 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 126.047 1.739 . . . . 0.0 113.32 173.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.38 139.69 23.99 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 169.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.6 mp0 -48.32 -43.7 33.45 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.8 0.84 . . . . 0.0 108.903 175.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.2 mm -48.9 -47.09 16.6 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 C-N-CA 124.449 1.1 . . . . 0.0 111.427 172.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 67.2 t -70.43 -58.9 4.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 CA-C-N 118.954 0.797 . . . . 0.0 108.921 -176.287 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.0 pttm -60.92 -33.14 72.69 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 120.097 -0.641 . . . . 0.0 111.89 -174.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 66.8 tp -53.73 -39.37 65.22 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 118.961 -0.542 . . . . 0.0 110.883 172.32 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 66.9 mtt -90.36 -55.15 3.71 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 122.998 0.519 . . . . 0.0 111.876 -175.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.48 -19.39 56.57 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 126.211 1.804 . . . . 0.0 115.379 -168.767 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -57.94 -7.19 0.69 Allowed 'General case' 0 CA--C 1.556 1.183 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.541 165.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 pp -36.69 -15.88 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 131.088 3.755 . . . . 0.0 117.413 177.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.41 -17.42 0.76 Allowed 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 119.036 0.835 . . . . 0.0 109.32 163.706 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -39.61 -46.09 1.74 Allowed 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.899 -0.5 . . . . 0.0 111.699 165.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -63.36 -75.79 0.07 Allowed 'General case' 0 C--N 1.338 0.08 0 N-CA-C 115.097 1.517 . . . . 0.0 115.097 -167.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -63.97 130.12 42.8 Favored 'General case' 0 N--CA 1.436 -1.131 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 -164.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 19.02 43.86 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.389 1 C-N-CA 134.104 4.961 . . . . 0.0 116.035 167.521 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 59.13 -121.76 1.15 Allowed 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.37 1.068 . . . . 0.0 110.575 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -59.66 157.83 11.16 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 119.277 0.944 . . . . 0.0 111.205 -173.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.0 m -122.95 129.14 75.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 113.094 0.775 . . . . 0.0 113.094 -164.344 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -105.06 -164.66 1.06 Allowed 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 169.614 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -57.64 -40.52 79.45 Favored 'General case' 0 C--N 1.339 0.143 0 CA-C-N 119.053 0.842 . . . . 0.0 110.738 -178.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.76 -61.78 2.04 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 176.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.4 mp0 -56.72 -48.5 77.6 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-O 118.898 -0.572 . . . . 0.0 111.129 -179.372 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -50.57 -57.48 8.06 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.489 0.715 . . . . 0.0 111.051 178.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 7.6 mm -62.28 -47.1 94.64 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.136 0 CA-C-O 121.066 0.46 . . . . 0.0 110.386 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.41 ' HA ' ' CG2' ' B' ' 74' ' ' ILE . 31.0 m -54.21 -47.5 72.06 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.656 1.182 . . . . 0.0 110.923 -176.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -56.05 -60.65 3.19 Favored 'General case' 0 N--CA 1.436 -1.174 0 C-N-CA 125.039 1.336 . . . . 0.0 110.038 169.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -38.84 -60.88 0.79 Allowed 'General case' 0 C--N 1.343 0.289 0 C-N-CA 124.217 1.007 . . . . 0.0 111.95 176.518 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.19 -53.88 32.16 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 174.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.7 -36.68 57.69 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 118.338 1.069 . . . . 0.0 112.868 -179.115 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 40.9 mt -51.68 -30.39 21.76 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.805 0.73 . . . . 0.0 111.748 175.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -49.32 -44.83 44.72 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.375 0.67 . . . . 0.0 111.157 173.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 72.3 mtm -62.12 -17.61 58.28 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.245 0.618 . . . . 0.0 112.289 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 20.9 mm -93.66 -70.77 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 C-N-CA 124.033 0.933 . . . . 0.0 109.369 169.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -77.52 -41.04 40.67 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 113.866 1.062 . . . . 0.0 113.866 -168.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -92.53 21.08 5.65 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.579 0.751 . . . . 0.0 111.544 -176.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -51.63 130.82 29.04 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 122.277 1.036 . . . . 0.0 112.095 -168.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 165.07 34.85 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 131.196 3.798 . . . . 0.0 108.609 -174.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -153.87 -40.42 0.09 Allowed 'General case' 0 C--O 1.235 0.299 0 C-N-CA 123.754 0.822 . . . . 0.0 112.874 -171.25 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.406 ' HZ3' ' HB3' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -112.83 -59.75 1.97 Allowed 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.158 0.583 . . . . 0.0 112.419 -166.6 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.269 2.334 0 C-N-CA 125.903 1.716 . . . . 0.0 110.254 -179.116 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 59.1 ttp . . . . . 0 C--O 1.223 -0.29 0 N-CA-C 110.898 -0.038 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.3 61.15 0.63 Allowed 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.294 1.038 . . . . 0.0 113.647 -170.095 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.52 173.06 2.59 Favored Pre-proline 0 CA--C 1.541 0.604 0 C-N-CA 124.813 1.245 . . . . 0.0 110.116 169.14 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -52.57 -48.56 21.29 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 122.787 2.324 . . . . 0.0 112.747 178.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 5.8 mp -58.69 -58.8 6.97 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 177.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -46.57 -48.36 19.59 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 125.461 1.505 . . . . 0.0 112.158 179.239 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -53.32 -55.7 22.64 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.097 0.559 . . . . 0.0 110.842 176.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.76 -50.72 71.24 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 122.236 -0.29 . . . . 0.0 110.773 -178.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 58.5 mt -45.97 -43.58 4.74 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 C-N-CA 125.204 1.402 . . . . 0.0 110.049 174.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -40.41 -49.26 3.81 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 124.991 1.281 . . . . 0.0 112.878 172.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 63.3 tp -62.45 -47.49 83.8 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.128 0.964 . . . . 0.0 110.178 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.68 -40.28 94.41 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 119.281 -0.39 . . . . 0.0 110.632 -178.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 71.3 mt -61.28 -51.28 74.89 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.141 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 172.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -45.27 -55.26 6.78 Favored Glycine 0 C--N 1.336 0.55 0 N-CA-C 110.019 -1.232 . . . . 0.0 110.019 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 94.9 mt -60.68 -61.25 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 CA-C-O 119.179 -0.439 . . . . 0.0 110.077 177.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -38.53 -62.77 0.56 Allowed 'General case' 0 C--N 1.344 0.349 0 C-N-CA 125.148 1.379 . . . . 0.0 111.072 179.259 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . 0.294 0.9 OUTLIER -90.72 16.78 8.58 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -175.195 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 tmtm? -74.66 -50.32 18.11 Favored 'General case' 0 C--N 1.338 0.094 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 166.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -83.21 44.85 0.98 Allowed 'General case' 0 CA--C 1.518 -0.268 0 C-N-CA 124.219 1.008 . . . . 0.0 111.255 -176.223 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 19.4 m -79.38 51.73 1.26 Allowed 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.455 0.702 . . . . 0.0 110.393 177.264 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.69 60.16 2.67 Favored Glycine 0 C--N 1.334 0.461 0 N-CA-C 107.705 -2.158 . . . . 0.0 107.705 -178.374 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 24.7 mmmt 72.48 -67.04 0.28 Allowed 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.992 1.317 . . . . 0.0 108.886 -169.039 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -152.19 146.38 25.41 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 126.925 2.09 . . . . 0.0 106.443 170.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.98 171.37 27.99 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.574 -0.611 . . . . 0.0 111.574 178.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -76.73 -36.72 56.97 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.181 0.993 . . . . 0.0 112.248 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -32.85 114.59 0.17 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 126.471 1.908 . . . . 0.0 112.985 -169.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -76.06 -22.77 55.28 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -167.036 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 22.0 p -105.33 163.92 12.24 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.414 1.086 . . . . 0.0 109.968 172.034 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 85.5 mt -117.27 129.48 55.94 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.805 1.642 . . . . 0.0 109.242 176.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 90.6 p -86.7 153.51 21.68 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 125.12 1.368 . . . . 0.0 108.529 170.148 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.5 mttp -54.48 -31.92 56.8 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 115.101 1.519 . . . . 0.0 115.101 -169.134 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 2.2 tmtm? -56.48 -38.15 71.32 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 119.477 1.035 . . . . 0.0 111.672 173.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -68.07 -47.5 68.12 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 178.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.41 -45.22 72.92 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-O 118.552 -0.737 . . . . 0.0 112.447 176.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 9.4 mmpt? -53.86 -31.27 49.02 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 119.119 0.872 . . . . 0.0 111.719 177.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -75.98 -54.96 6.09 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-O 121.944 0.878 . . . . 0.0 110.36 174.12 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.07 -47.06 75.37 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 125.765 1.626 . . . . 0.0 111.838 -173.203 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 10.1 pt -67.03 -24.6 32.55 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-N 118.203 0.456 . . . . 0.0 112.165 177.268 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -61.79 -44.47 96.81 Favored 'General case' 0 N--CA 1.448 -0.528 0 O-C-N 121.99 -0.444 . . . . 0.0 110.077 -169.125 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -90.83 -102.96 0.1 Allowed 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 -173.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.95 -34.98 12.17 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 120.381 3.474 . . . . 0.0 120.381 -161.187 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -41.15 -50.19 3.51 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 -165.186 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 56.3 p -25.85 -83.56 0.0 OUTLIER 'General case' 0 C--O 1.231 0.102 0 C-N-CA 128.057 2.543 . . . . 0.0 112.417 -169.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mt -106.34 39.46 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 126.276 1.831 . . . . 0.0 107.984 -179.467 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -26.53 -57.45 0.08 OUTLIER Glycine 0 C--N 1.341 0.834 0 C-N-CA 127.834 2.635 . . . . 0.0 113.885 -170.047 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 4.4 m -28.58 -48.31 0.06 Allowed 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 127.407 2.283 . . . . 0.0 113.99 174.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 3.4 ptmm? -160.78 62.13 0.3 Allowed 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 123.573 0.749 . . . . 0.0 109.266 170.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -19.87 77.04 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 129.508 3.123 . . . . 0.0 116.38 -177.309 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 39.7 tp60 -83.76 55.75 3.37 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 174.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -75.64 169.94 17.14 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 115.175 -0.92 . . . . 0.0 112.909 -168.186 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -167.69 158.53 11.14 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 126.161 1.784 . . . . 0.0 110.251 -179.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.51 -50.38 32.06 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.969 0.908 . . . . 0.0 111.887 172.548 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 31.4 pt -57.13 -36.47 51.6 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 O-C-N 121.046 -1.034 . . . . 0.0 111.397 174.018 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 87.9 t -69.23 -36.12 71.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-O 118.541 -0.742 . . . . 0.0 109.772 178.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 11.6 mmpt? -56.39 -54.1 49.52 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 119.701 1.137 . . . . 0.0 109.737 169.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 95.9 mt -56.94 -40.32 76.16 Favored 'General case' 0 C--O 1.234 0.283 0 O-C-N 122.218 -0.301 . . . . 0.0 111.273 -177.009 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 72.6 mtm -64.94 -54.08 36.32 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 119.348 -0.358 . . . . 0.0 110.83 173.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -65.68 -20.31 66.24 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.699 1.2 . . . . 0.0 113.204 -174.254 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -66.49 9.2 0.18 Allowed 'General case' 0 CA--C 1.552 1.054 0 O-C-N 121.525 -0.734 . . . . 0.0 110.628 165.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.6 mt -53.72 -7.75 0.13 Allowed 'General case' 0 C--N 1.348 0.517 0 C-N-CA 127.178 2.191 . . . . 0.0 111.338 165.216 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -41.68 -28.59 0.15 Allowed 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.887 1.275 . . . . 0.0 109.603 160.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -51.67 -13.52 0.26 Allowed 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.946 1.461 . . . . 0.0 114.946 172.137 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -25.6 -80.44 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 130.241 3.416 . . . . 0.0 114.792 -169.415 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 10.4 pttp 178.92 -42.11 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 123.807 0.843 . . . . 0.0 110.847 178.129 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -71.64 3.2 4.22 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -168.21 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . 0.263 0.1 OUTLIER 75.74 -103.85 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.44 1.496 . . . . 0.0 112.698 168.411 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -73.72 146.36 44.46 Favored 'General case' 0 C--O 1.231 0.112 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 -176.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 93.7 t -107.76 125.73 64.2 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 CA-C-O 121.606 0.717 . . . . 0.0 112.623 -168.109 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -101.92 175.55 5.51 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 105.502 -2.036 . . . . 0.0 105.502 165.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -53.73 -45.55 70.56 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 119.189 0.904 . . . . 0.0 111.164 -176.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -53.86 -39.12 65.4 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.077 0.551 . . . . 0.0 110.701 178.728 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.51 -29.99 37.25 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 119.401 1.001 . . . . 0.0 111.776 -179.344 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -60.91 -46.32 91.12 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 169.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 74' ' ' ILE . . . . . 0.41 ' CG2' ' HA ' ' A' ' 75' ' ' THR . 24.4 mm -67.46 -37.72 79.39 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 CA-C-O 117.767 -1.111 . . . . 0.0 110.677 177.585 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 2.9 m -38.74 -52.57 1.69 Allowed 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 120.208 1.367 . . . . 0.0 112.018 -179.094 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -77.49 -49.45 14.73 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 119.535 -0.866 . . . . 0.0 112.283 178.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.25 -37.84 75.73 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 118.933 0.788 . . . . 0.0 111.064 -173.541 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.94 -45.81 79.4 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 124.697 1.141 . . . . 0.0 112.914 169.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.98 -50.39 73.59 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 118.299 1.05 . . . . 0.0 109.353 175.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -52.66 -42.13 64.44 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.187 174.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.96 -46.92 87.16 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 118.814 0.734 . . . . 0.0 110.273 178.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 82' ' ' MET . . . . . 0.403 ' HG3' HD22 ' B' ' 88' ' ' LEU . 8.8 ttt -50.92 -45.71 60.52 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 173.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 96.5 mt -67.5 -63.16 0.98 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 122.921 0.489 . . . . 0.0 111.434 -179.495 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -68.69 -34.97 76.58 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 120.951 -1.093 . . . . 0.0 112.036 -171.453 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -91.3 25.52 2.53 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.692 1.197 . . . . 0.0 112.07 -175.083 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.31 74.74 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 116.699 2.111 . . . . 0.0 116.699 -168.216 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -118.74 24.89 10.6 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 126.483 1.913 . . . . 0.0 107.639 166.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.403 HD22 ' HG3' ' B' ' 82' ' ' MET . 4.4 mp -90.72 -41.39 11.3 Favored 'General case' 0 CA--C 1.519 -0.237 0 C-N-CA 124.396 1.078 . . . . 0.0 108.587 -178.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.19 27.95 0.51 Allowed 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 122.839 0.456 . . . . 0.0 111.62 170.229 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.363 0 CA-C-N 118.611 0.641 . . . . 0.0 112.261 175.947 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.3 tmm? . . . . . 0 CA--C 1.533 0.318 0 N-CA-C 110.444 -0.206 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 129.16 33.39 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 130.936 3.694 . . . . 0.0 109.965 -175.225 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.38 165.72 50.37 Favored Pre-proline 0 CA--C 1.539 0.555 0 C-N-CA 124.731 1.212 . . . . 0.0 108.572 173.107 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -57.08 141.17 94.2 Favored 'Trans proline' 0 N--CA 1.455 -0.791 0 CA-C-N 120.491 1.211 . . . . 0.0 109.689 170.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tt 76.24 -59.13 0.52 Allowed 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 126.362 1.865 . . . . 0.0 109.453 -175.153 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -42.94 -47.07 5.63 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 126.285 1.834 . . . . 0.0 110.506 174.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -31.23 -40.12 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 126.9 2.08 . . . . 0.0 114.757 169.542 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.83 -54.27 48.15 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 119.704 1.138 . . . . 0.0 110.885 175.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 45.7 mt -60.92 -47.17 94.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 177.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -44.77 -47.57 9.2 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 124.936 1.255 . . . . 0.0 111.715 172.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -66.2 -51.92 53.01 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.113 0.956 . . . . 0.0 109.841 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.8 mp -52.98 -47.76 67.94 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 118.225 0.466 . . . . 0.0 111.386 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 90.8 mt -65.2 -44.33 95.26 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.135 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 175.483 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -50.58 -53.6 24.48 Favored Glycine 0 C--O 1.223 -0.593 0 C-N-CA 125.307 1.432 . . . . 0.0 111.179 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 33.9 mm -58.26 -60.98 1.56 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 CA-C-N 117.918 0.859 . . . . 0.0 109.893 178.087 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -38.79 -59.3 0.97 Allowed 'General case' 0 C--N 1.341 0.212 0 C-N-CA 124.94 1.296 . . . . 0.0 111.401 176.189 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . 0.331 0.1 OUTLIER -90.07 -12.64 37.83 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 -170.626 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 43.8 tttm -62.06 -45.1 95.05 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 166.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.505 ' HB2' HD13 ' A' ' 29' ' ' LEU . 11.0 m-30 -78.51 52.35 1.16 Allowed 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 122.583 1.182 . . . . 0.0 110.537 -176.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 83.0 p -161.45 43.87 0.16 Allowed 'General case' 0 N--CA 1.445 -0.716 0 CA-C-O 122.357 1.075 . . . . 0.0 109.49 176.441 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.17 -42.1 31.41 Favored Glycine 0 CA--C 1.535 1.285 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 175.069 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.57 -153.96 0.52 Allowed 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 127.137 2.175 . . . . 0.0 105.387 170.658 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 60.68 -92.33 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 120.36 1.437 . . . . 0.0 110.65 176.218 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.92 -36.41 87.64 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 169.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 43.2 t0 58.49 -179.52 0.07 Allowed 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.576 1.55 . . . . 0.0 111.556 177.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -77.49 57.17 1.51 Allowed 'General case' 0 CA--C 1.539 0.532 0 O-C-N 119.192 -2.192 . . . . 0.0 112.013 -173.085 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -145.81 -62.41 0.33 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 128.794 2.838 . . . . 0.0 105.537 174.548 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.57 160.73 19.6 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 127.149 2.18 . . . . 0.0 111.008 -172.452 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.505 HD13 ' HB2' ' A' ' 19' ' ' TYR . 3.0 tp -94.54 125.42 39.17 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 124.955 1.302 . . . . 0.0 107.786 -176.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.6 m -65.73 131.29 45.97 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.8 pttm -54.97 -32.13 61.31 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.491 -0.755 . . . . 0.0 112.268 176.004 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.23 -59.2 2.85 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -177.656 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -55.89 -26.27 46.57 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.313 0.961 . . . . 0.0 112.885 173.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.6 tt -54.61 -34.25 61.73 Favored 'General case' 0 C--N 1.342 0.249 0 CA-C-N 120.238 1.381 . . . . 0.0 110.103 171.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.411 ' HA ' HG22 ' A' ' 38' ' ' ILE 0.287 5.1 mptt -67.98 -1.18 5.27 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 120.493 -1.38 . . . . 0.0 113.864 176.625 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -74.84 -47.34 30.96 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 163.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 tt -47.16 -52.48 15.44 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 126.845 2.058 . . . . 0.0 109.783 178.118 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.411 HG22 ' HA ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -60.41 -44.46 96.19 Favored 'Isoleucine or valine' 0 C--N 1.343 0.3 0 C-N-CA 120.33 -0.548 . . . . 0.0 111.202 -176.449 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.17 -60.99 2.89 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 -177.594 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.41 ' NZ ' ' OE2' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -92.99 -84.18 0.3 Allowed 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.974 1.102 . . . . 0.0 113.974 -173.143 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.41 ' OE2' ' NZ ' ' A' ' 40' ' ' LYS . 18.2 mp0 -44.11 -57.22 3.52 Favored 'General case' 0 C--O 1.231 0.101 0 N-CA-C 115.877 1.806 . . . . 0.0 115.877 -164.396 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . 0.305 0.2 OUTLIER -68.45 -2.25 8.25 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 118.378 -1.329 . . . . 0.0 113.332 -171.79 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.0 m 60.69 -114.77 0.63 Allowed 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.095 -1.003 . . . . 0.0 110.283 168.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.6 mt -65.44 -20.57 27.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 124.042 0.937 . . . . 0.0 111.39 178.042 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -49.43 130.25 25.37 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.422 -0.671 . . . . 0.0 111.422 175.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.0 m 57.04 26.87 12.47 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.209 0.604 . . . . 0.0 112.28 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.2 mmtm -115.37 17.36 16.53 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.011 0.924 . . . . 0.0 110.042 169.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.4 mp -74.94 72.84 2.13 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.297 1.039 . . . . 0.0 108.262 -175.343 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.7 tp60 56.67 81.4 0.13 Allowed 'General case' 0 C--N 1.339 0.126 0 C-N-CA 124.933 1.293 . . . . 0.0 107.758 -168.067 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -53.73 151.6 6.09 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.655 -175.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -165.71 -172.2 2.32 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 125.427 1.491 . . . . 0.0 108.808 -171.365 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.48 -45.97 28.81 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 106.862 -1.533 . . . . 0.0 106.862 168.45 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 65.4 mt -46.71 -42.57 5.74 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 C-N-CA 125.179 1.391 . . . . 0.0 110.315 171.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 99.5 t -70.11 -25.48 27.75 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 O-C-N 121.442 -0.786 . . . . 0.0 111.635 -178.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -65.97 -45.86 80.17 Favored 'General case' 0 C--O 1.227 -0.123 0 O-C-N 121.048 -1.033 . . . . 0.0 108.998 169.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -57.54 -41.78 81.61 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 110.27 -0.271 . . . . 0.0 110.27 175.109 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 27.2 ttt -57.48 -52.35 65.75 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 122.131 -0.356 . . . . 0.0 110.628 175.004 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -61.25 -33.83 74.16 Favored 'General case' 0 CA--C 1.522 -0.127 0 O-C-N 121.413 -0.804 . . . . 0.0 111.85 178.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -67.75 15.99 0.04 OUTLIER 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 170.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.4 mt -55.44 -27.6 49.09 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 120.304 1.411 . . . . 0.0 108.409 163.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.71 -38.83 10.48 Favored 'General case' 0 C--N 1.346 0.448 0 CA-C-O 121.857 0.837 . . . . 0.0 111.138 169.151 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.77 -11.18 60.05 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 113.383 0.883 . . . . 0.0 113.383 -176.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -55.36 -38.71 69.14 Favored 'General case' 0 CA--C 1.521 -0.15 0 C-N-CA 123.906 0.882 . . . . 0.0 113.363 -174.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -152.5 162.05 41.74 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 107.192 -1.411 . . . . 0.0 107.192 170.45 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 75.55 -35.49 0.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 127.081 2.152 . . . . 0.0 112.788 169.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 74.24 -73.0 0.1 Allowed 'General case' 0 N--CA 1.457 -0.088 0 C-N-CA 125.751 1.62 . . . . 0.0 109.424 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -80.9 78.89 7.66 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 105.052 -2.203 . . . . 0.0 105.052 169.166 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 13.0 m -52.72 147.93 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 N-CA-C 115.874 1.805 . . . . 0.0 115.874 -166.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.2 p30 -81.9 174.93 10.83 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.494 1.118 . . . . 0.0 110.051 169.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -61.74 -37.06 82.84 Favored 'General case' 0 C--O 1.225 -0.22 0 C-N-CA 123.56 0.744 . . . . 0.0 112.452 -176.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -64.44 -51.06 65.03 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 118.899 0.772 . . . . 0.0 109.951 176.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.25 -49.55 73.85 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.476 0.58 . . . . 0.0 110.173 178.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -47.16 -58.26 4.25 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.608 0.763 . . . . 0.0 110.73 171.04 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.3 mm -57.74 -43.76 84.52 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 C-N-CA 123.967 0.907 . . . . 0.0 111.478 -176.122 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -54.08 -52.34 61.27 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 115.366 1.617 . . . . 0.0 115.366 -167.357 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . 0.274 24.2 p90 -65.39 -43.05 91.88 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 117.526 -1.669 . . . . 0.0 111.222 -178.6 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 44.5 mt -50.9 -48.69 60.43 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.299 0.64 . . . . 0.0 110.347 176.012 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -60.11 -59.07 11.06 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 176.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.7 -54.24 10.05 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 124.407 1.083 . . . . 0.0 110.777 -178.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 39.0 mt -56.98 -23.44 45.9 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.502 1.121 . . . . 0.0 112.164 -178.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.21 -42.57 69.93 Favored 'General case' 0 C--N 1.339 0.139 0 CA-C-N 119.842 1.201 . . . . 0.0 111.249 173.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 67.0 mtm -59.97 -21.04 60.71 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 119.034 -0.508 . . . . 0.0 111.256 178.007 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 32.2 mm -91.74 -73.7 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 C-N-CA 124.201 1.0 . . . . 0.0 110.549 172.154 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . 0.256 0.1 OUTLIER -71.31 -21.81 62.02 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 114.509 1.299 . . . . 0.0 114.509 -168.066 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -91.18 22.59 3.71 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 119.286 0.948 . . . . 0.0 111.434 -176.267 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -47.79 142.41 4.77 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-O 122.946 1.355 . . . . 0.0 112.942 -169.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 144.51 -44.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 1 C-N-CA 132.896 4.478 . . . . 0.0 104.737 -169.048 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -20.75 66.09 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.848 1.259 . . . . 0.0 114.242 -174.588 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.598 ' O ' ' OXT' ' A' ' 90' ' ' GLY . 27.2 mtmm -100.46 -49.69 4.15 Favored 'General case' 0 C--N 1.342 0.26 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 168.376 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.598 ' OXT' ' O ' ' A' ' 89' ' ' LYS . . . . . . . . 0 C--O 1.27 2.354 0 N-CA-C 110.407 -1.077 . . . . 0.0 110.407 171.147 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.5 tmm? . . . . . 0 CA--C 1.534 0.335 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 94.2 63.37 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 128.731 2.812 . . . . 0.0 109.675 -175.123 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 13.3 m -154.29 149.09 19.85 Favored Pre-proline 0 CA--C 1.53 0.206 0 C-N-CA 124.61 1.164 . . . . 0.0 108.186 172.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -50.7 -48.63 19.74 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 123.27 2.647 . . . . 0.0 112.987 -169.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 pp -55.84 -43.61 77.21 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 122.357 0.263 . . . . 0.0 111.615 175.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -51.09 56.77 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.845 0.858 . . . . 0.0 109.094 -176.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -54.9 -47.83 73.83 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 122.991 0.516 . . . . 0.0 110.315 176.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.19 -52.54 64.89 Favored 'General case' 0 CA--C 1.531 0.228 0 O-C-N 122.059 -0.4 . . . . 0.0 111.288 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 59.2 mt -53.33 -51.56 39.53 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 177.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.09 -50.88 43.77 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 123.913 0.768 . . . . 0.0 111.324 175.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 7.8 tt -54.59 -55.62 27.47 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.623 0.769 . . . . 0.0 109.445 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 8.9 mp -54.13 -49.74 68.5 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 118.279 0.491 . . . . 0.0 110.642 177.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 48.1 mt -64.53 -31.07 52.09 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 123.354 0.661 . . . . 0.0 112.256 -175.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -84.47 -51.0 4.04 Favored Glycine 0 CA--C 1.532 1.105 0 C-N-CA 124.171 0.891 . . . . 0.0 111.78 179.105 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 7.5 tt -58.67 -32.79 47.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 O-C-N 122.047 -0.678 . . . . 0.0 109.938 -177.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -35.79 -43.85 0.32 Allowed 'General case' 0 C--N 1.343 0.319 0 C-N-CA 126.109 1.764 . . . . 0.0 113.772 168.182 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -94.31 -46.26 7.13 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 120.792 0.329 . . . . 0.0 111.505 -178.544 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 8.8 mmtm -48.3 -33.55 9.03 Favored 'General case' 0 N--CA 1.462 0.127 0 N-CA-C 117.408 2.374 . . . . 0.0 117.408 -167.059 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . 0.269 14.1 m-30 -55.87 143.72 30.57 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.215 0.916 . . . . 0.0 112.975 -168.169 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 16.9 m 71.49 -28.54 0.18 Allowed 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 127.736 2.415 . . . . 0.0 113.081 -166.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 53.3 33.2 45.75 Favored Glycine 0 CA--C 1.529 0.914 0 CA-C-N 119.791 1.178 . . . . 0.0 111.937 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -154.58 -82.11 0.08 Allowed 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 -174.503 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 49.1 mp0 -64.28 -72.9 0.13 Allowed 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.041 0.536 . . . . 0.0 110.444 177.165 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.56 -75.23 0.27 Allowed Glycine 0 CA--C 1.525 0.69 0 C-N-CA 124.892 1.234 . . . . 0.0 110.995 -177.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 24.7 t0 48.19 -65.87 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 129.192 2.997 . . . . 0.0 117.184 171.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 48.9 mttp -102.37 -34.15 9.29 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 128.118 2.567 . . . . 0.0 111.014 -173.541 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 35.0 p80 -120.76 -158.38 0.75 Allowed 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.67 0.788 . . . . 0.0 110.926 -169.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 15.1 p -44.7 140.74 2.34 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 126.412 1.885 . . . . 0.0 111.239 171.573 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 52.0 mt -70.47 124.52 24.4 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.383 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.07 60.79 4.37 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 124.199 1.0 . . . . 0.0 109.914 -175.387 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp 68.71 -76.93 0.05 Allowed 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 124.57 1.148 . . . . 0.0 112.898 172.029 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -55.06 -45.63 75.32 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 119.484 1.038 . . . . 0.0 110.729 -170.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -44.82 -39.34 5.22 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.789 0.836 . . . . 0.0 112.797 172.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.58 -36.41 69.33 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 119.091 0.86 . . . . 0.0 110.775 -178.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 27.8 mmtt -62.91 -24.58 67.91 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 120.988 -1.07 . . . . 0.0 113.133 -177.01 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -60.15 -49.69 76.65 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-O 122.187 0.994 . . . . 0.0 109.023 172.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 tt -54.04 -54.03 44.92 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 114.726 -1.124 . . . . 0.0 109.144 177.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . 0.282 0.8 OUTLIER -63.98 -43.13 97.57 Favored 'Isoleucine or valine' 0 C--N 1.341 0.219 0 C-N-CA 119.037 -1.065 . . . . 0.0 111.815 -173.579 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -67.85 -45.87 73.39 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 118.764 -1.175 . . . . 0.0 111.12 -177.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -94.26 -90.18 0.21 Allowed 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 16.2 mp0 -47.92 -29.27 3.21 Favored 'General case' 0 N--CA 1.462 0.141 0 N-CA-C 116.701 2.111 . . . . 0.0 116.701 -165.005 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 70.2 mt -54.49 -22.44 12.86 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 119.844 1.202 . . . . 0.0 113.023 174.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 31.1 m 77.76 -58.49 0.47 Allowed 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 125.063 1.345 . . . . 0.0 112.34 169.461 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 pp 27.99 59.43 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 128.02 2.528 . . . . 0.0 114.882 169.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -117.95 -170.6 15.1 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 125.259 1.409 . . . . 0.0 111.015 -178.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 5.6 m 75.74 -55.12 0.62 Allowed 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 125.513 1.525 . . . . 0.0 113.152 168.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -74.69 -64.62 1.0 Allowed 'General case' 0 CA--C 1.528 0.122 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 174.183 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 11.0 mp -110.59 136.88 49.03 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 102.163 -3.273 . . . . 0.0 102.163 168.175 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -84.11 53.17 2.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 118.963 0.801 . . . . 0.0 109.389 -174.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.4 ' OD2' ' NZ ' ' B' ' 55' ' ' LYS . 40.1 t0 61.72 165.67 0.1 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.887 1.675 . . . . 0.0 111.248 -171.572 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . 176.59 156.04 0.25 Allowed 'General case' 0 C--O 1.231 0.114 0 C-N-CA 126.07 1.748 . . . . 0.0 109.316 177.182 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -49.06 -41.97 37.02 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.562 1.145 . . . . 0.0 109.657 169.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 80.4 mt -56.01 -45.47 80.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 C-N-CA 124.111 0.964 . . . . 0.0 110.432 175.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 87.3 t -69.51 -43.01 80.96 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 -177.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.4 ' NZ ' ' OD2' ' B' ' 50' ' ' ASP . 40.6 mttm -59.09 -39.31 81.78 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 121.955 -0.466 . . . . 0.0 110.392 175.724 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 10.1 tt -61.9 -47.67 83.92 Favored 'General case' 0 C--O 1.225 -0.23 0 C-N-CA 123.426 0.691 . . . . 0.0 109.961 174.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 13.2 tpt -52.25 -49.22 64.48 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.928 0.786 . . . . 0.0 109.943 173.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -69.1 0.01 5.25 Favored 'General case' 0 C--N 1.333 -0.123 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -62.28 -7.68 4.65 Favored 'General case' 0 CA--C 1.539 0.519 0 O-C-N 121.15 -0.969 . . . . 0.0 111.073 168.262 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 18.9 mt -41.45 -11.06 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 128.172 2.589 . . . . 0.0 114.798 168.005 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -49.43 -21.0 0.8 Allowed 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.198 -0.939 . . . . 0.0 111.144 163.066 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -39.97 -37.97 0.65 Allowed 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.665 1.186 . . . . 0.0 111.642 166.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -48.2 -30.2 4.45 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -177.179 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.58 43.91 2.11 Favored 'General case' 0 CA--C 1.53 0.173 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 169.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 19.3 t70 19.36 56.4 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 128.196 2.598 . . . . 0.0 113.614 -169.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . 0.282 10.2 pt20 49.5 10.61 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 117.395 2.368 . . . . 0.0 117.395 -179.367 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -83.38 62.76 6.91 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 106.063 -1.828 . . . . 0.0 106.063 169.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -74.13 135.21 27.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 116.183 1.92 . . . . 0.0 116.183 -163.308 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -99.88 155.15 17.83 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 125.548 1.539 . . . . 0.0 107.049 165.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -52.76 -43.61 65.91 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 118.31 0.505 . . . . 0.0 110.769 -178.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -40.88 -56.54 2.2 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.434 1.094 . . . . 0.0 110.902 171.276 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -76.59 -45.78 28.91 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 125.38 1.472 . . . . 0.0 110.2 -168.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -47.21 -49.13 23.56 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.875 1.67 . . . . 0.0 108.755 170.215 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 21.1 mm -67.96 -45.4 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 CA-C-O 118.286 -0.864 . . . . 0.0 111.519 175.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 48.9 m -47.65 -51.33 21.92 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 119.97 1.259 . . . . 0.0 108.734 177.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -59.45 -58.98 6.22 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 126.251 1.821 . . . . 0.0 111.521 178.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 14.7 mt -49.99 -46.82 52.97 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.455 0.571 . . . . 0.0 111.505 177.158 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -62.84 -46.39 93.71 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 125.742 1.639 . . . . 0.0 112.279 178.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.96 -54.53 45.58 Favored 'General case' 0 C--N 1.338 0.104 0 CA-C-N 117.989 0.895 . . . . 0.0 108.873 176.23 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.15 -30.44 71.59 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.384 -178.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.86 -41.72 71.14 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-N 119.498 1.044 . . . . 0.0 112.102 175.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 59.8 mtm -61.83 -16.62 51.61 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 118.753 -0.641 . . . . 0.0 112.213 176.005 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 25.1 mt -91.27 -71.79 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 124.947 1.299 . . . . 0.0 109.14 169.081 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -63.45 -39.11 93.61 Favored 'General case' 0 N--CA 1.464 0.252 0 O-C-N 120.513 -1.367 . . . . 0.0 112.264 -170.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -93.68 24.5 4.05 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.991 1.316 . . . . 0.0 111.934 173.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -34.91 -42.6 0.16 Allowed 'General case' 0 C--O 1.239 0.517 0 N-CA-C 116.746 2.128 . . . . 0.0 116.746 -169.69 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 87' ' ' ALA . . . . . 0.417 ' O ' ' OXT' ' B' ' 90' ' ' GLY . . . -51.34 -19.69 1.41 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 126.412 1.885 . . . . 0.0 113.318 -179.222 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 1.9 pp -51.73 -32.18 29.43 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 118.363 0.529 . . . . 0.0 111.343 171.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -76.24 63.45 1.9 Allowed 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 169.255 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 90' ' ' GLY . . . . . 0.417 ' OXT' ' O ' ' B' ' 87' ' ' ALA . . . . . . . . 0 C--O 1.269 2.33 0 N-CA-C 108.355 -1.898 . . . . 0.0 108.355 -169.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.6 ptp . . . . . 0 CA--C 1.534 0.355 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.97 -115.7 0.3 Allowed 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.739 1.216 . . . . 0.0 110.64 -172.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 p -84.34 109.19 17.8 Favored Pre-proline 0 N--CA 1.451 -0.421 0 CA-C-O 116.19 -1.862 . . . . 0.0 108.451 -170.471 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_exo -25.53 -30.97 0.01 OUTLIER 'Trans proline' 0 C--N 1.351 0.668 1 C-N-CA 128.393 6.062 . . . . 0.0 120.719 -168.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.1 mp -51.66 -42.51 62.15 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 119.818 1.19 . . . . 0.0 109.832 169.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -55.13 -54.16 46.76 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.087 0.955 . . . . 0.0 110.382 178.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -60.98 -43.96 98.06 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 125.242 1.417 . . . . 0.0 110.198 178.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.35 -46.0 92.07 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 122.91 0.484 . . . . 0.0 111.524 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.8 mt -57.88 -54.7 28.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 172.294 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -44.86 -43.87 8.47 Favored Glycine 0 C--N 1.337 0.624 0 C-N-CA 126.568 2.032 . . . . 0.0 111.89 -179.291 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.9 tp -82.1 -65.66 0.98 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 117.988 0.894 . . . . 0.0 110.941 173.095 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 68.4 mt -63.66 -51.7 63.95 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 -165.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.3 mt -77.05 -30.95 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 CA-C-N 119.751 1.16 . . . . 0.0 109.596 174.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.63 -81.96 0.06 OUTLIER Glycine 0 CA--C 1.528 0.88 0 CA-C-O 118.585 -1.12 . . . . 0.0 111.636 173.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.2 mp -38.69 -57.6 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 126.38 1.872 . . . . 0.0 110.565 -177.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -31.14 -58.17 0.23 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.983 1.713 . . . . 0.0 113.438 170.178 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -95.55 -4.82 44.02 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 116.952 2.204 . . . . 0.0 116.952 173.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 tmmm? -67.57 -53.77 25.5 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 106.221 -1.77 . . . . 0.0 106.221 172.137 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.407 ' O ' ' HB2' ' A' ' 20' ' ' SER . 47.5 m-85 -68.82 149.73 48.62 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 105.223 -2.14 . . . . 0.0 105.223 166.281 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.407 ' HB2' ' O ' ' A' ' 19' ' ' TYR . 60.6 m 78.18 -49.17 0.48 Allowed 'General case' 0 CA--C 1.528 0.101 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 -165.509 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.21 -48.74 66.89 Favored Glycine 0 CA--C 1.529 0.919 0 N-CA-C 109.641 -1.383 . . . . 0.0 109.641 171.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -45.66 -64.1 0.81 Allowed 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 125.344 1.458 . . . . 0.0 111.994 177.275 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -67.2 -41.88 85.11 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -178.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.55 114.06 0.41 Allowed Glycine 0 CA--C 1.527 0.789 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 -177.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.443 ' CG ' ' HZ2' ' A' ' 26' ' ' LYS . 29.9 t70 78.17 148.28 0.1 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 127.624 2.37 . . . . 0.0 115.714 168.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.443 ' HZ2' ' CG ' ' A' ' 25' ' ' ASP . 0.0 OUTLIER -76.23 93.68 3.43 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.344 1.058 . . . . 0.0 110.061 179.575 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 20.4 p80 -137.81 -175.31 4.04 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 124.017 0.927 . . . . 0.0 109.222 175.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.9 p -66.96 151.88 46.8 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 127.268 2.227 . . . . 0.0 108.599 175.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 72.1 mt -70.37 106.46 3.39 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.044 0.938 . . . . 0.0 109.996 -170.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.9 p -76.67 63.48 2.13 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.896 0.878 . . . . 0.0 112.578 -178.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.309 0.0 OUTLIER 61.12 -66.97 0.06 Allowed 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 128.286 2.634 . . . . 0.0 115.808 173.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.403 ' HG3' ' HZ2' ' A' ' 32' ' ' LYS . 4.9 pttp -51.59 -42.98 62.31 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.634 0.774 . . . . 0.0 110.132 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -40.94 -56.78 2.16 Favored 'General case' 0 C--O 1.222 -0.387 0 C-N-CA 123.752 0.821 . . . . 0.0 111.368 170.019 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.424 HD11 ' CZ ' ' A' ' 76' ' ' PHE . 1.3 tm? -61.11 -46.6 89.94 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 -170.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -62.98 -36.89 85.03 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 121.018 0.437 . . . . 0.0 110.614 179.126 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -68.24 -34.7 76.69 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.255 1.022 . . . . 0.0 111.38 176.066 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 tt -73.87 -61.08 1.97 Allowed 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 127.259 2.224 . . . . 0.0 110.453 -174.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.4 tt -46.29 -34.74 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 C-N-CA 125.579 1.551 . . . . 0.0 113.116 -169.436 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -58.46 -56.13 26.12 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 122.904 0.482 . . . . 0.0 111.804 176.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . 0.315 12.6 pttm -97.63 -83.14 0.4 Allowed 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 118.537 2.792 . . . . 0.0 118.537 -168.586 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . 0.252 22.1 mt-10 -57.8 -39.2 76.98 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 116.46 2.022 . . . . 0.0 116.46 -163.486 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . 0.261 0.4 OUTLIER -75.22 24.27 0.1 Allowed 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 115.376 1.621 . . . . 0.0 115.376 -175.598 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.9 m 81.68 -82.88 0.02 OUTLIER 'General case' 0 C--O 1.227 -0.109 0 C-N-CA 125.377 1.471 . . . . 0.0 110.337 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.289 11.3 tp 57.68 -34.06 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 130.703 3.601 . . . . 0.0 116.295 -178.791 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -52.84 -33.1 42.37 Favored Glycine 0 CA--C 1.528 0.881 0 C-N-CA 124.738 1.161 . . . . 0.0 112.045 178.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 p -54.92 -27.04 40.19 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 125.102 1.361 . . . . 0.0 112.261 174.599 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 45.6 tttt -72.08 31.5 0.06 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.636 1.174 . . . . 0.0 112.12 172.122 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.5 mt 51.18 60.15 4.09 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.843 1.257 . . . . 0.0 109.315 -173.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.5 tp60 72.68 -47.83 0.67 Allowed 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 126.641 1.976 . . . . 0.0 112.324 -173.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 46.8 t0 103.25 162.85 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 129.654 3.182 . . . . 0.0 109.467 -172.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -115.2 119.4 36.23 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 126.153 1.781 . . . . 0.0 106.794 174.131 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.445 ' CD ' ' HZ3' ' A' ' 55' ' ' LYS . 43.7 mm-40 -62.64 -36.3 82.37 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 118.471 0.578 . . . . 0.0 110.848 -170.51 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 20.3 tt -53.47 -37.37 29.93 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.259 170.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.7 t -80.63 -34.38 14.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-N 118.397 0.544 . . . . 0.0 110.29 175.095 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.445 ' HZ3' ' CD ' ' A' ' 52' ' ' GLU . 2.3 ttmp? -53.91 -42.21 68.5 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 120.814 -1.179 . . . . 0.0 110.427 173.406 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.9 mp -61.28 -13.57 19.88 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.235 1.014 . . . . 0.0 113.116 174.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 73.2 mtp -91.09 -49.49 6.37 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 168.395 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.514 ' C ' ' H ' ' A' ' 60' ' ' LEU . 87.5 m-20 -73.18 -6.61 46.93 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 114.922 1.452 . . . . 0.0 114.922 -172.248 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . 0.254 4.3 p-10 -70.2 32.52 0.04 OUTLIER 'General case' 0 CA--C 1.557 1.228 0 CA-C-N 119.925 1.239 . . . . 0.0 109.861 163.501 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.514 ' H ' ' C ' ' A' ' 58' ' ' ASP . 4.0 pp -57.11 -6.72 0.41 Allowed 'General case' 0 C--N 1.347 0.474 0 C-N-CA 130.739 3.616 . . . . 0.0 113.794 -170.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -47.48 -27.86 1.93 Allowed 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 163.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.6 ttm-85 -30.35 -44.85 0.06 Allowed 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 126.485 1.914 . . . . 0.0 112.555 167.197 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -43.75 -48.5 8.04 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 126.134 1.773 . . . . 0.0 113.898 -177.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -125.43 83.43 2.16 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 117.928 -1.034 . . . . 0.0 109.23 -175.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.1 p30 57.66 -15.57 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 117.665 2.468 . . . . 0.0 117.665 168.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . 0.25 25.3 mt-30 77.7 -9.2 1.55 Allowed 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 127.47 2.308 . . . . 0.0 113.228 178.806 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.13 82.63 5.28 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 104.347 -2.464 . . . . 0.0 104.347 166.703 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.7 m -94.92 138.71 20.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-O 121.366 0.603 . . . . 0.0 111.972 -171.24 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -98.85 -175.91 3.19 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 124.043 0.937 . . . . 0.0 108.841 176.621 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -52.36 -38.13 58.01 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 119.03 -0.51 . . . . 0.0 110.486 -179.156 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -55.2 -65.55 0.57 Allowed 'General case' 0 C--O 1.234 0.256 0 CA-C-N 118.764 0.711 . . . . 0.0 111.647 178.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -66.28 -39.98 89.78 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 118.233 -1.387 . . . . 0.0 109.0 -171.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -46.25 -60.94 2.01 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.083 0.953 . . . . 0.0 111.465 172.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 8.2 tp -71.51 -35.18 55.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 O-C-N 121.666 -0.647 . . . . 0.0 110.466 -172.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 31.0 m -60.78 -45.14 95.51 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 176.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.424 ' CZ ' HD11 ' A' ' 34' ' ' LEU . 3.1 t80 -59.46 -55.26 36.88 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 125.138 1.375 . . . . 0.0 110.579 174.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 33.0 mt -49.88 -55.57 13.86 Favored 'General case' 0 C--O 1.225 -0.205 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 177.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.09 -53.36 43.1 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.762 -0.535 . . . . 0.0 111.762 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.03 -56.24 24.56 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -175.268 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 86.9 mt -63.86 -43.97 94.51 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 119.54 -0.267 . . . . 0.0 110.51 -177.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.53 -43.15 75.48 Favored 'General case' 0 CA--C 1.523 -0.096 0 CA-C-N 118.378 0.535 . . . . 0.0 110.957 178.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.464 ' HA ' HD13 ' A' ' 88' ' ' LEU . 3.3 ttt -55.73 -27.61 51.5 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 177.474 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.2 mp -83.86 -72.52 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 168.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -56.89 -44.15 82.03 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 114.849 1.425 . . . . 0.0 114.849 -167.18 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . 0.27 40.6 m-20 -77.23 31.79 0.15 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.028 1.331 . . . . 0.0 112.565 177.43 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -16.6 -52.83 0.0 OUTLIER 'General case' 0 C--N 1.344 0.367 0 C-N-CA 130.254 3.422 . . . . 0.0 115.978 -170.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.002 ' O ' ' OXT' ' A' ' 90' ' ' GLY . . . -32.94 -37.73 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 126.386 1.874 . . . . 0.0 113.584 172.711 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.464 HD13 ' HA ' ' A' ' 82' ' ' MET . 0.3 OUTLIER -32.1 -50.43 0.22 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.838 1.655 . . . . 0.0 113.012 169.564 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -81.06 66.43 6.59 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 176.36 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 1.002 ' OXT' ' O ' ' A' ' 87' ' ' ALA . . . . . . . . 0 C--O 1.27 2.396 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 -176.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.538 0.488 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 49.42 32.44 4.65 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.118 1.367 . . . . 0.0 113.209 169.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 37.9 m -106.39 172.05 4.24 Favored Pre-proline 0 CA--C 1.537 0.47 0 C-N-CA 126.215 1.806 . . . . 0.0 107.277 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -41.67 -48.09 5.85 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.824 3.016 . . . . 0.0 115.46 -169.329 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 10.9 mp -55.15 -42.96 73.76 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 122.899 0.48 . . . . 0.0 111.707 178.164 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -76.3 -45.07 34.1 Favored 'General case' 0 C--O 1.226 -0.178 0 O-C-N 121.81 -0.556 . . . . 0.0 109.816 177.432 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -56.22 -30.33 62.21 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.377 0.671 . . . . 0.0 111.996 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.0 -43.14 77.4 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.644 -0.66 . . . . 0.0 111.52 170.194 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 26.2 mt -66.77 -43.78 89.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 169.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -38.72 -45.63 2.06 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 125.414 1.483 . . . . 0.0 112.868 172.049 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 33.6 tp -52.98 -37.25 61.17 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.954 1.377 . . . . 0.0 112.354 178.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.1 mp -64.84 -30.96 71.98 Favored 'General case' 0 CA--C 1.532 0.275 0 O-C-N 121.268 -0.895 . . . . 0.0 110.735 176.329 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 16.0 mt -67.08 -48.05 80.17 Favored 'Isoleucine or valine' 0 C--N 1.341 0.207 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 168.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -45.5 -50.02 10.89 Favored Glycine 0 CA--C 1.525 0.698 0 C-N-CA 124.659 1.123 . . . . 0.0 111.21 176.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 39.0 mm -68.16 -60.48 2.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 123.55 0.74 . . . . 0.0 110.175 176.436 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -39.13 -64.54 0.45 Allowed 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 125.261 1.424 . . . . 0.0 110.81 178.021 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . 0.34 1.6 m-70 -90.6 21.66 3.89 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 116.248 1.944 . . . . 0.0 116.248 178.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -59.13 -46.03 89.4 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 105.484 -2.043 . . . . 0.0 105.484 165.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -79.9 124.92 29.09 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 126.874 2.07 . . . . 0.0 108.837 169.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.5 p -47.92 -49.45 30.04 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 168.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 71.05 63.0 3.29 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 124.494 1.045 . . . . 0.0 113.472 -175.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 36.4 mmtm -30.99 -61.77 0.18 Allowed 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 -169.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -41.03 -32.38 0.24 Allowed 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 126.567 1.947 . . . . 0.0 114.375 -174.068 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -144.97 30.96 1.77 Allowed Glycine 0 CA--C 1.527 0.819 0 CA-C-O 119.609 -0.551 . . . . 0.0 112.655 175.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -27.74 -60.03 0.11 Allowed 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 126.878 2.071 . . . . 0.0 116.103 -168.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 19.6 mttp -63.04 -14.69 51.17 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.703 1.201 . . . . 0.0 113.153 -171.068 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -144.25 -68.21 0.32 Allowed 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 118.949 0.795 . . . . 0.0 111.203 -178.097 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.24 -177.46 6.65 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 127.884 2.474 . . . . 0.0 109.51 -177.23 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 10.0 tp -127.18 153.42 46.09 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.673 1.189 . . . . 0.0 109.244 -172.447 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 99.0 p -83.97 147.87 27.21 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.228 0.611 . . . . 0.0 109.448 177.471 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.78 -45.66 93.52 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 107.035 -1.469 . . . . 0.0 107.035 169.662 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.07 -54.16 39.57 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 117.93 -1.034 . . . . 0.0 111.307 -174.016 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -75.31 -28.92 59.87 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 119.606 1.094 . . . . 0.0 110.965 -177.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.428 HD23 ' O ' ' B' ' 34' ' ' LEU . 4.5 tt -58.59 -38.3 77.64 Favored 'General case' 0 C--N 1.341 0.236 0 C-N-CA 119.918 -0.713 . . . . 0.0 109.264 171.395 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.58 -49.35 62.28 Favored 'General case' 0 C--N 1.345 0.386 0 CA-C-N 119.485 1.038 . . . . 0.0 111.207 -176.435 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 25.8 mp0 -54.15 -51.94 62.7 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 119.783 1.174 . . . . 0.0 111.96 173.145 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 tt -47.38 -58.65 3.92 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.178 1.391 . . . . 0.0 110.311 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -68.4 -48.49 72.58 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.242 0 O-C-N 122.039 -0.413 . . . . 0.0 110.729 -179.287 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -46.2 -58.21 3.86 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.45 1.1 . . . . 0.0 111.181 -177.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 6.4 tptp -97.34 -42.62 7.68 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 -172.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -91.92 -71.22 0.65 Allowed 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 -164.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . 0.275 1.0 OUTLIER -79.42 3.17 19.26 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 -167.184 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.2 p -76.46 -107.48 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.901 1.228 . . . . 0.0 111.018 174.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 15.1 mt -94.51 -32.53 4.66 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 C-N-CA 123.868 0.867 . . . . 0.0 108.758 -177.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.22 62.49 1.57 Allowed Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 108.998 -1.641 . . . . 0.0 108.998 -179.113 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 5.8 m 73.44 -29.3 0.2 Allowed 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 115.334 1.605 . . . . 0.0 115.334 169.073 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 33.4 mttp -39.21 -58.26 1.2 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.062 1.745 . . . . 0.0 113.297 -170.065 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.34 43.14 2.68 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.825 0.85 . . . . 0.0 109.786 170.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 53.92 43.19 31.22 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.742 1.617 . . . . 0.0 112.018 178.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 54.41 -146.4 0.56 Allowed 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.862 1.265 . . . . 0.0 111.792 171.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -162.27 94.53 0.9 Allowed 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 119.322 0.964 . . . . 0.0 112.4 -169.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' GLU . . . . . 0.422 ' OE1' ' NZ ' ' B' ' 55' ' ' LYS . 26.7 mm-40 -48.12 -40.59 24.06 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.495 1.118 . . . . 0.0 111.385 169.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 38.4 mm -56.74 -42.8 78.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 123.543 0.737 . . . . 0.0 110.693 177.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 74.6 t -68.9 -47.68 74.58 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.204 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 176.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.422 ' NZ ' ' OE1' ' B' ' 52' ' ' GLU . 23.8 ttpt -50.8 -44.89 59.12 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 122.744 0.418 . . . . 0.0 111.702 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 9.3 tt -51.27 -39.16 56.15 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.437 0.695 . . . . 0.0 111.461 176.138 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 28.0 ttt -77.35 -55.64 5.23 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 176.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -56.69 -23.85 44.92 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 124.409 1.083 . . . . 0.0 112.594 -173.139 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -49.65 -15.67 0.18 Allowed 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 119.027 0.831 . . . . 0.0 112.977 169.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 7.6 tt -43.04 -22.62 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 128.679 2.792 . . . . 0.0 112.48 165.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -45.77 -28.52 1.07 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 119.796 1.18 . . . . 0.0 111.418 167.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.57 13.21 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 115.184 1.55 . . . . 0.0 115.184 171.088 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -28.46 -57.45 0.12 Allowed 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 128.302 2.641 . . . . 0.0 114.415 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 18.6 pttm -120.17 20.95 11.95 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.63 1.172 . . . . 0.0 110.326 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 7.5 t0 25.68 41.52 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 130.579 3.552 . . . . 0.0 113.268 -167.422 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -149.44 145.27 26.84 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 -179.321 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 28.59 81.67 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 127.049 2.14 . . . . 0.0 114.295 169.361 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 16.4 t -70.22 119.66 16.69 Favored 'Isoleucine or valine' 0 C--O 1.231 0.117 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 -178.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -92.24 169.57 10.5 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.305 0.574 . . . . 0.0 110.503 178.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -54.19 -43.84 71.05 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.809 0.844 . . . . 0.0 110.95 -178.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -59.1 -44.96 91.98 Favored 'General case' 0 N--CA 1.456 -0.158 0 O-C-N 121.953 -0.467 . . . . 0.0 110.511 179.067 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -61.39 -60.29 3.94 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 176.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -39.32 -52.97 2.0 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 125.39 1.476 . . . . 0.0 112.348 176.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 5.2 tp -75.12 -16.1 15.93 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -170.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 98.6 m -55.47 -56.19 23.02 Favored 'General case' 0 C--N 1.341 0.238 0 CA-C-N 118.82 0.736 . . . . 0.0 111.78 -170.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.83 -43.95 94.69 Favored 'General case' 0 CA--C 1.521 -0.146 0 O-C-N 122.046 -0.409 . . . . 0.0 110.118 -177.363 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -43.24 -55.96 3.72 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.16 0.584 . . . . 0.0 110.005 170.423 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.99 -53.72 38.34 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 124.18 0.895 . . . . 0.0 112.659 176.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.57 -49.03 77.71 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 118.006 0.903 . . . . 0.0 111.557 -177.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 52.2 mt -73.44 -26.67 61.04 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.335 1.054 . . . . 0.0 111.593 -176.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -31.1 -66.93 0.1 Allowed 'General case' 0 C--O 1.222 -0.38 0 C-N-CA 127.152 2.181 . . . . 0.0 113.664 -172.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 51.9 mtp -72.28 -13.62 61.55 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -170.142 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 83' ' ' ILE . . . . . 0.403 HD12 ' N ' ' B' ' 83' ' ' ILE . 3.5 mp -82.09 -65.61 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 106.829 -1.545 . . . . 0.0 106.829 172.264 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . 0.356 0.0 OUTLIER -79.41 32.95 0.24 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.363 1.465 . . . . 0.0 113.08 -177.242 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -41.59 -36.04 0.85 Allowed 'General case' 0 C--O 1.232 0.136 0 N-CA-C 116.884 2.179 . . . . 0.0 116.884 -167.05 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.982 ' O ' ' OXT' ' B' ' 90' ' ' GLY . 0.0 OUTLIER -73.57 -51.59 16.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 119.444 1.02 . . . . 0.0 108.604 173.806 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.4 -29.04 67.44 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 124.589 1.156 . . . . 0.0 112.539 -176.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.45 -33.42 44.26 Favored 'General case' 0 C--N 1.342 0.273 0 CA-C-N 118.642 0.655 . . . . 0.0 109.578 178.239 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.91 51.6 2.02 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 170.756 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 90' ' ' GLY . . . . . 0.982 ' OXT' ' O ' ' B' ' 86' ' ' GLU . . . . . . . . 0 C--O 1.27 2.358 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.8 mtm . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.34 105.47 0.51 Allowed 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 124.672 1.189 . . . . 0.0 108.549 175.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.7 p -64.9 170.84 3.56 Favored Pre-proline 0 C--N 1.327 -0.375 0 C-N-CA 123.664 0.786 . . . . 0.0 109.679 175.006 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -54.21 -30.52 61.83 Favored 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 121.655 1.57 . . . . 0.0 112.054 168.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.422 ' H ' HD12 ' A' ' 5' ' ' LEU . 5.2 mp -69.56 -51.62 33.77 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.363 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -53.49 -49.03 68.38 Favored 'General case' 0 C--O 1.227 -0.116 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 176.33 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -54.51 -54.99 33.78 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.933 0.893 . . . . 0.0 110.926 176.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.86 -51.51 67.28 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.11 0.564 . . . . 0.0 110.916 -178.278 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.2 mt -53.77 -47.67 62.37 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 174.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.59 -47.54 29.59 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 125.689 1.614 . . . . 0.0 112.211 173.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.11 -52.36 65.69 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 118.907 1.354 . . . . 0.0 110.403 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -57.64 -44.66 85.78 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 122.451 0.3 . . . . 0.0 111.135 -179.044 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 36.6 mt -63.17 -44.17 99.22 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 123.941 0.896 . . . . 0.0 110.236 175.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.16 -63.91 4.89 Favored Glycine 0 CA--C 1.525 0.71 0 C-N-CA 125.061 1.315 . . . . 0.0 110.684 -179.239 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.1 tp -61.08 -36.65 73.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 C-N-CA 123.309 0.643 . . . . 0.0 110.863 -169.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -30.69 -66.46 0.1 Allowed 'General case' 0 C--N 1.344 0.347 0 C-N-CA 126.338 1.855 . . . . 0.0 112.504 177.536 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -90.52 -6.22 55.03 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 -179.251 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.18 -43.23 78.6 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 106.66 -1.608 . . . . 0.0 106.66 169.091 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 -75.85 67.52 2.26 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.632 0.773 . . . . 0.0 109.924 174.011 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 75.2 m -102.64 34.92 2.63 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.1 0.96 . . . . 0.0 109.494 169.109 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 85.64 -53.34 4.7 Favored Glycine 0 C--N 1.338 0.649 0 N-CA-C 110.135 -1.186 . . . . 0.0 110.135 178.216 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.4 tptp -151.56 163.65 38.58 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 128.358 2.663 . . . . 0.0 104.139 169.306 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.0 mp0 -62.73 109.03 1.29 Allowed 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.356 0.598 . . . . 0.0 109.594 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.53 160.92 17.49 Favored Glycine 0 CA--C 1.526 0.769 0 C-N-CA 127.526 2.489 . . . . 0.0 106.906 -177.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -79.08 40.83 0.42 Allowed 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 118.967 1.384 . . . . 0.0 113.372 -169.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.77 53.87 2.27 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 168.801 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -52.05 160.75 0.69 Allowed 'General case' 0 N--CA 1.44 -0.97 0 C-N-CA 125.808 1.643 . . . . 0.0 109.302 174.329 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 73.7 p 63.58 151.69 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 127.132 2.173 . . . . 0.0 109.105 -168.278 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.3 mp -109.62 58.95 0.6 Allowed 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 -166.007 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.3 p -65.34 71.9 0.05 OUTLIER 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 115.348 1.61 . . . . 0.0 115.348 -177.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.251 12.9 tptt 66.38 -55.12 0.4 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 128.863 2.865 . . . . 0.0 115.769 173.763 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.58 -10.78 58.03 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.828 1.195 . . . . 0.0 112.29 179.54 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.0 mp0 -90.64 -51.5 5.36 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 128.065 2.546 . . . . 0.0 107.375 167.078 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tp -50.68 -34.45 26.64 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 118.545 -0.74 . . . . 0.0 111.854 -178.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.2 pptp? -38.92 -40.99 0.7 Allowed 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.235 1.014 . . . . 0.0 113.297 171.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -64.26 -34.33 77.86 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.404 1.082 . . . . 0.0 111.372 -177.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 tt -91.01 -53.93 4.17 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 127.52 2.328 . . . . 0.0 111.231 -175.347 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.1 tt -61.49 -44.64 98.92 Favored 'Isoleucine or valine' 0 CA--C 1.524 -0.039 0 C-N-CA 124.842 1.257 . . . . 0.0 112.294 -169.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -65.71 -47.81 74.12 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -92.48 -94.21 0.15 Allowed 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.087 0.955 . . . . 0.0 113.268 -170.029 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.2 mp0 -58.03 -32.19 67.74 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 -165.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.6 mt -53.63 -32.72 52.45 Favored 'General case' 0 C--O 1.224 -0.265 0 C-N-CA 118.589 -1.244 . . . . 0.0 111.856 175.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.0 m 63.25 41.87 7.5 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 119.977 1.262 . . . . 0.0 109.835 -179.01 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 32.4 pt -51.98 -33.88 16.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 C-N-CA 123.47 0.708 . . . . 0.0 112.167 -175.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -44.3 -34.74 3.49 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 124.358 0.98 . . . . 0.0 113.275 173.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.3 m -56.98 -45.0 83.26 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 118.195 0.997 . . . . 0.0 110.959 177.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -83.13 58.29 4.37 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 121.673 0.749 . . . . 0.0 109.189 174.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 56.0 tp -46.64 106.12 0.08 Allowed 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 126.822 2.049 . . . . 0.0 110.956 -173.042 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 34.95 60.04 0.68 Allowed 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.451 1.501 . . . . 0.0 114.404 -169.459 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -52.01 153.56 2.59 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 107.427 -1.324 . . . . 0.0 107.427 164.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.54 122.6 9.22 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -172.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -52.11 -37.08 53.0 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 121.505 0.669 . . . . 0.0 110.488 -178.149 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 40.1 mm -62.13 -38.4 80.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 124.121 0.969 . . . . 0.0 110.724 176.114 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 72.4 t -70.05 -51.91 35.36 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.27 0 CA-C-O 118.203 -0.903 . . . . 0.0 108.914 174.251 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.3 mttp -48.71 -46.43 40.72 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 119.271 0.941 . . . . 0.0 110.692 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.4 tp -46.93 -35.19 6.21 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.823 0.849 . . . . 0.0 112.249 177.006 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.7 mmt -91.52 -43.46 9.66 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.447 1.099 . . . . 0.0 111.807 176.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.491 ' C ' ' H ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -71.05 -9.11 57.47 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 127.64 2.376 . . . . 0.0 113.446 -174.403 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -68.51 28.98 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.372 1.069 . . . . 0.0 108.578 160.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.491 ' H ' ' C ' ' A' ' 58' ' ' ASP . 48.5 tp -37.4 -30.04 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.577 1 C-N-CA 131.705 4.002 . . . . 0.0 114.651 -167.299 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -37.67 -34.93 0.12 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.98 0.912 . . . . 0.0 110.887 165.442 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -40.85 -35.25 0.48 Allowed 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 127.557 2.343 . . . . 0.0 112.926 176.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -62.82 -34.29 77.0 Favored 'General case' 0 C--N 1.339 0.151 0 C-N-CA 122.848 0.459 . . . . 0.0 111.298 -176.024 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.4 mmtm 67.53 -54.91 0.48 Allowed 'General case' 0 C--N 1.34 0.195 0 C-N-CA 126.74 2.016 . . . . 0.0 114.225 176.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 53.66 61.71 2.97 Favored 'General case' 0 CA--C 1.528 0.103 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 -169.31 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . 0.424 1.5 pp0? 66.23 -44.19 0.4 Allowed 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 129.243 3.017 . . . . 0.0 115.027 -169.781 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.64 134.35 4.5 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 106.518 -1.66 . . . . 0.0 106.518 177.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.37 98.23 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 CA-C-O 122.419 1.104 . . . . 0.0 108.241 -171.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -75.97 172.58 12.49 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 113.982 -1.463 . . . . 0.0 109.06 170.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -48.79 -39.16 24.2 Favored 'General case' 0 C--O 1.22 -0.476 0 C-N-CA 123.32 0.648 . . . . 0.0 109.997 173.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -42.61 -74.52 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.831 1.253 . . . . 0.0 111.307 169.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -59.02 -44.14 91.66 Favored 'General case' 0 N--CA 1.455 -0.18 0 O-C-N 121.563 -0.71 . . . . 0.0 110.761 -175.135 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -46.47 -53.88 10.31 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.238 1.415 . . . . 0.0 111.067 174.417 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 7.6 tp -76.86 -39.44 30.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 O-C-N 121.684 -0.635 . . . . 0.0 110.905 -174.323 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 57.1 m -51.79 -53.72 36.82 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 119.409 1.004 . . . . 0.0 109.827 171.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -52.9 -54.96 27.09 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 125.237 1.415 . . . . 0.0 111.302 175.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.3 mt -52.66 -40.43 62.83 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 117.839 0.29 . . . . 0.0 111.091 174.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -62.09 -53.97 38.5 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.431 -1.068 . . . . 0.0 110.431 178.168 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.13 -48.43 67.9 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 124.049 0.939 . . . . 0.0 110.121 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 42.0 mt -58.79 -60.0 4.53 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 175.174 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -48.43 -49.35 35.56 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 125.984 1.714 . . . . 0.0 111.426 -172.345 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.62 ' HG3' HD11 ' A' ' 88' ' ' LEU . 17.0 ttt -44.89 -39.9 5.81 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 126.501 1.921 . . . . 0.0 111.702 176.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 48.0 mm -91.44 -61.13 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 C-N-CA 123.913 0.885 . . . . 0.0 110.902 -177.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -90.2 -29.33 18.3 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 116.366 1.987 . . . . 0.0 116.366 -166.645 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -91.55 -53.44 4.31 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-N 118.743 0.701 . . . . 0.0 110.404 -168.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -140.11 134.75 31.72 Favored 'General case' 0 N--CA 1.436 -1.149 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 -166.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -80.47 49.52 1.17 Allowed 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 125.243 1.417 . . . . 0.0 107.467 174.412 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.62 HD11 ' HG3' ' A' ' 82' ' ' MET . 33.5 mt 34.34 40.06 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 127.951 2.5 . . . . 0.0 114.194 -169.322 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.546 ' O ' ' OXT' ' A' ' 90' ' ' GLY . 35.3 mmtt 53.97 34.67 20.16 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.795 0.838 . . . . 0.0 110.78 -179.321 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.546 ' OXT' ' O ' ' A' ' 89' ' ' LYS . . . . . . . . 0 C--O 1.27 2.361 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -173.429 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.7 ttt . . . . . 0 N--CA 1.451 -0.409 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.9 58.63 0.85 Allowed 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 125.214 1.406 . . . . 0.0 110.508 179.203 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 33.4 t -61.13 144.92 90.58 Favored Pre-proline 0 CA--C 1.533 0.315 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 173.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_exo -44.81 -45.92 13.21 Favored 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 122.734 2.289 . . . . 0.0 113.028 174.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 pp -64.29 -33.6 76.2 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 178.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -67.41 -59.78 3.11 Favored 'General case' 0 C--O 1.225 -0.187 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 173.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 45.0 mm-40 -52.14 -32.62 36.48 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.835 0.854 . . . . 0.0 112.733 -178.408 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.15 -53.83 44.75 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.758 0.708 . . . . 0.0 111.357 171.177 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 58.3 mt -63.64 -40.92 90.82 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 174.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -42.89 -42.74 5.09 Favored Glycine 0 CA--C 1.523 0.572 0 C-N-CA 126.467 1.984 . . . . 0.0 113.079 171.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 61.4 tp -58.42 -55.3 36.84 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 119.151 1.476 . . . . 0.0 110.075 177.438 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 mp -58.86 -46.6 87.37 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 122.982 0.513 . . . . 0.0 109.635 -179.4 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 67.6 mt -59.2 -39.99 80.02 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 C-N-CA 122.537 0.335 . . . . 0.0 110.703 176.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.71 -66.33 2.89 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 109.226 -1.549 . . . . 0.0 109.226 174.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 25.4 mm -49.75 -44.57 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 125.358 1.463 . . . . 0.0 110.636 -178.084 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.474 ' HE2' HD13 ' A' ' 88' ' ' LEU . 3.4 t80 -36.58 -73.06 0.05 OUTLIER 'General case' 0 C--N 1.341 0.208 0 C-N-CA 124.85 1.26 . . . . 0.0 112.138 -177.093 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -90.37 20.71 4.29 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.65 -1.159 . . . . 0.0 112.441 -178.77 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -58.55 -46.9 85.89 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 168.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -78.35 59.41 2.33 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.16 0.984 . . . . 0.0 110.641 173.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 28.2 m -67.6 -15.44 63.65 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.64 -0.662 . . . . 0.0 112.264 172.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 144.38 -78.89 0.25 Allowed Glycine 0 C--N 1.337 0.622 0 N-CA-C 108.999 -1.641 . . . . 0.0 108.999 173.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . 0.504 0.0 OUTLIER 87.36 -23.7 0.12 Allowed 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 130.733 3.613 . . . . 0.0 113.943 -176.316 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.403 ' H ' ' CD ' ' B' ' 23' ' ' GLU . 10.6 mp0 -77.4 -37.02 52.8 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 107.483 -1.302 . . . . 0.0 107.483 167.767 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -144.08 -175.19 16.99 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 106.138 -2.785 . . . . 0.0 106.138 168.412 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -115.02 128.18 56.1 Favored 'General case' 0 CA--C 1.527 0.072 0 CA-C-N 117.716 0.758 . . . . 0.0 110.156 176.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -142.67 171.76 13.62 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 105.724 -1.954 . . . . 0.0 105.724 168.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -133.33 35.63 3.44 Favored 'General case' 0 C--N 1.332 -0.168 0 O-C-N 121.59 -0.694 . . . . 0.0 109.62 171.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 72.7 p -136.39 141.71 43.67 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 103.453 -2.795 . . . . 0.0 103.453 167.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 28.0 mt -101.05 86.53 3.06 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.073 0.949 . . . . 0.0 110.719 -167.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.4 m -79.46 64.59 4.39 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.761 0.824 . . . . 0.0 111.951 -168.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 50.6 tttp 65.76 -53.12 0.38 Allowed 'General case' 0 C--O 1.223 -0.34 0 C-N-CA 127.158 2.183 . . . . 0.0 114.289 178.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -55.95 -62.02 1.98 Allowed 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 120.106 1.321 . . . . 0.0 109.985 -179.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -38.62 -51.45 1.64 Allowed 'General case' 0 C--O 1.226 -0.16 0 C-N-CA 125.191 1.397 . . . . 0.0 110.455 169.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' B' ' 34' ' ' LEU . 5.8 tp -62.34 -44.46 96.43 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 125.252 1.421 . . . . 0.0 111.343 -173.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 39.3 tptt -65.66 -41.48 92.48 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 178.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.91 -38.45 91.13 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 120.764 0.316 . . . . 0.0 110.827 176.459 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.2 tt -61.34 -70.11 0.2 Allowed 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 126.277 1.831 . . . . 0.0 111.1 178.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' ILE . . . . . 0.511 ' HA ' ' HB3' ' B' ' 41' ' ' GLU . 11.3 tt -58.48 6.45 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.558 1.261 0 C-N-CA 127.567 2.347 . . . . 0.0 114.746 -168.226 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -93.73 -66.47 0.92 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.284 1.834 . . . . 0.0 112.312 172.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.48 32.94 1.02 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.687 1.995 . . . . 0.0 109.874 176.242 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.511 ' HB3' ' HA ' ' B' ' 38' ' ' ILE 0.302 0.0 OUTLIER -73.72 -115.09 0.01 OUTLIER 'General case' 0 N--CA 1.437 -1.116 0 N-CA-C 121.661 3.948 . . . . 0.0 121.661 -160.766 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.415 ' H ' ' CG ' ' B' ' 41' ' ' GLU . 11.3 mt -103.03 -61.44 1.41 Allowed 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 129.589 3.155 . . . . 0.0 111.71 -167.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 152.7 4.22 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.825 1 C-N-CA 132.196 4.198 . . . . 0.0 111.67 -171.47 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 65.8 mt -50.27 -36.26 12.91 Favored 'Isoleucine or valine' 0 C--N 1.342 0.262 0 CA-C-N 120.356 1.435 . . . . 0.0 110.968 178.331 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -34.16 -38.11 0.1 OUTLIER Glycine 0 CA--C 1.538 1.51 0 C-N-CA 125.272 1.415 . . . . 0.0 114.588 169.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 15.4 m -49.12 -25.9 2.41 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.968 1.307 . . . . 0.0 113.64 176.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -41.45 -46.17 3.36 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 127.712 2.405 . . . . 0.0 111.314 168.457 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 83.0 mt 55.93 -175.48 0.05 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.839 1.255 . . . . 0.0 111.122 -169.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 45.83 43.39 9.93 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.138 0.975 . . . . 0.0 111.055 -175.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -128.4 156.84 42.51 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 125.684 1.594 . . . . 0.0 108.774 -169.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -146.04 166.52 25.84 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 106.524 -1.658 . . . . 0.0 106.524 169.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -58.63 -29.07 66.23 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 118.931 -0.557 . . . . 0.0 111.632 175.09 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 37.9 mm -59.86 -36.7 68.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 C-N-CA 123.863 0.865 . . . . 0.0 110.605 170.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 10.6 t -77.63 -49.59 21.83 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 177.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 44.1 mttp -55.12 -37.88 67.45 Favored 'General case' 0 CA--C 1.53 0.183 0 O-C-N 121.993 -0.442 . . . . 0.0 111.185 179.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -47.68 -37.14 12.32 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.033 0.933 . . . . 0.0 110.769 174.042 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 76.7 mtm -81.46 -48.43 11.88 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 117.997 0.362 . . . . 0.0 110.541 174.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -46.59 -55.98 6.79 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 118.376 0.535 . . . . 0.0 111.734 -179.134 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . 0.254 3.4 p30 -45.42 -77.09 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.951 0.901 . . . . 0.0 112.457 -168.139 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.414 HD13 ' C ' ' B' ' 60' ' ' LEU . 3.2 tm? -93.09 -58.12 2.42 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 124.925 1.29 . . . . 0.0 110.264 -174.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.02 -30.92 2.91 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 126.457 1.903 . . . . 0.0 113.871 -164.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 62' ' ' ARG . . . . . 0.402 ' HG2' ' O ' ' B' ' 62' ' ' ARG 0.287 0.0 OUTLIER -75.05 16.71 0.28 Allowed 'General case' 0 CA--C 1.558 1.269 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 173.441 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -53.58 -58.91 5.47 Favored 'General case' 0 C--O 1.225 -0.203 0 C-N-CA 128.425 2.69 . . . . 0.0 114.718 -171.172 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . 0.28 12.2 pttt 70.41 -56.89 0.59 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.248 1.419 . . . . 0.0 113.834 -171.65 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . 0.301 2.7 p30 -90.54 -97.02 0.11 Allowed 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 -171.466 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.54 -157.68 0.84 Allowed 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 120.241 1.382 . . . . 0.0 110.654 -169.679 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.6 144.16 27.51 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 118.995 0.816 . . . . 0.0 110.617 -173.643 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 15.7 t -75.94 75.74 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-O 123.126 1.441 . . . . 0.0 111.078 -167.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -83.9 -177.35 6.65 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 126.744 2.018 . . . . 0.0 109.244 169.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -52.98 -43.94 66.81 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.093 0.557 . . . . 0.0 112.447 -172.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.6 -31.72 73.06 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 118.751 0.705 . . . . 0.0 111.315 -177.56 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.88 -46.33 21.66 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 -176.471 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -49.35 -53.1 24.01 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 168.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 11.6 mm -54.54 -44.88 70.35 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-O 118.624 -0.703 . . . . 0.0 111.111 176.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 62.0 m -45.72 -51.36 12.63 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 119.215 0.916 . . . . 0.0 112.444 -178.262 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . 0.256 6.2 p90 -64.8 -39.68 93.99 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 117.332 -1.747 . . . . 0.0 112.425 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 6.3 mp -55.12 -56.31 21.33 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 118.991 0.814 . . . . 0.0 109.641 172.286 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -49.16 -56.21 10.84 Favored Glycine 0 CA--C 1.526 0.751 0 C-N-CA 124.132 0.872 . . . . 0.0 112.059 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.34 -53.66 53.79 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 122.907 0.483 . . . . 0.0 111.394 -178.015 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 79.4 mt -76.09 -35.35 59.39 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.923 -0.485 . . . . 0.0 111.581 -169.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.91 -42.63 68.95 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 118.681 0.673 . . . . 0.0 111.442 -178.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 64.9 mtp -51.94 -29.92 22.41 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.56 1.144 . . . . 0.0 111.876 175.225 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 43.8 mt -91.0 -57.04 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 C-N-CA 123.585 0.754 . . . . 0.0 109.516 178.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -81.38 -39.85 24.39 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 115.024 1.49 . . . . 0.0 115.024 -167.135 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -86.38 -39.1 16.75 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -167.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 179.84 152.99 0.47 Allowed 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 104.535 -2.394 . . . . 0.0 104.535 -170.164 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -81.74 49.6 1.37 Allowed 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 105.807 -1.923 . . . . 0.0 105.807 167.118 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 23.3 mt 30.82 52.91 0.15 Allowed 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 128.838 2.855 . . . . 0.0 113.995 -168.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -98.45 -75.59 0.55 Allowed 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 169.055 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.405 0 N-CA-C 109.409 -1.476 . . . . 0.0 109.409 178.969 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.4 mtm . . . . . 0 CA--C 1.531 0.225 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.25 166.49 20.94 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 105.331 -2.1 . . . . 0.0 105.331 179.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.1 m -70.84 158.87 87.08 Favored Pre-proline 0 CA--C 1.539 0.524 0 CA-C-N 118.58 0.627 . . . . 0.0 110.121 -178.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -51.24 -48.07 22.91 Favored 'Trans proline' 0 N--CA 1.456 -0.694 0 C-N-CA 122.991 2.46 . . . . 0.0 112.618 -178.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 48.7 mt -65.36 -43.51 90.56 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 118.991 -0.528 . . . . 0.0 110.987 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -50.09 -56.29 11.47 Favored 'General case' 0 C--N 1.343 0.291 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 173.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -56.16 -50.34 71.45 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.525 -177.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.66 -55.92 28.67 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 122.709 0.404 . . . . 0.0 111.456 -179.001 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.08 -42.7 94.17 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 118.399 0.545 . . . . 0.0 109.798 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.02 -51.28 30.51 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 172.366 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.3 mp -56.08 -56.87 15.56 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-O 118.962 -0.542 . . . . 0.0 109.561 175.003 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.4 mt -52.7 -47.25 67.39 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 119.366 0.984 . . . . 0.0 112.161 -176.363 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.9 mt -60.95 -51.22 75.72 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 123.732 0.813 . . . . 0.0 109.996 176.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.31 -41.31 96.81 Favored Glycine 0 CA--C 1.53 1.029 0 C-N-CA 123.288 0.47 . . . . 0.0 112.088 -178.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.5 mm -78.87 -42.81 24.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 C-N-CA 126.843 2.057 . . . . 0.0 110.615 -171.368 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -29.15 -69.12 0.06 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.223 1.809 . . . . 0.0 113.664 -173.675 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -90.67 -2.09 57.85 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 125.574 1.549 . . . . 0.0 112.655 -174.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.09 -36.09 74.53 Favored 'General case' 0 N--CA 1.456 -0.142 0 O-C-N 121.516 -0.74 . . . . 0.0 111.267 -172.697 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -66.44 -15.96 63.74 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.0 m -74.78 -16.46 60.72 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.747 0.703 . . . . 0.0 111.53 169.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.56 -64.73 2.52 Favored Glycine 0 C--N 1.338 0.644 0 C-N-CA 126.429 1.966 . . . . 0.0 109.434 -175.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.3 tttm -83.2 51.16 1.9 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.668 1.587 . . . . 0.0 109.465 -173.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -58.06 -35.61 71.61 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 -168.234 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.503 ' HA2' ' OXT' ' B' ' 90' ' ' GLY . . . -30.32 -72.22 0.06 OUTLIER Glycine 0 CA--C 1.53 1.028 0 C-N-CA 126.175 1.845 . . . . 0.0 111.731 176.14 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -80.99 -43.6 19.39 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.186 0.994 . . . . 0.0 111.508 171.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm -80.44 59.13 3.38 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 121.706 0.765 . . . . 0.0 110.783 -177.173 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.0 p80 -79.93 57.48 2.62 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.605 1.162 . . . . 0.0 108.817 174.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -177.84 147.17 0.46 Allowed 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 128.285 2.634 . . . . 0.0 104.037 -169.252 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.65 142.67 34.93 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 119.415 1.007 . . . . 0.0 110.375 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.2 t -92.9 -168.57 1.97 Allowed 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 122.745 1.259 . . . . 0.0 111.131 -177.111 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -51.32 68.18 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 127.128 2.171 . . . . 0.0 112.96 -171.295 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -64.78 -41.47 95.83 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.93 -0.481 . . . . 0.0 110.208 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -56.21 -51.9 66.38 Favored 'General case' 0 C--O 1.223 -0.337 0 C-N-CA 122.85 0.46 . . . . 0.0 109.918 170.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.6 tt -57.05 -45.49 83.15 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 118.75 0.705 . . . . 0.0 110.254 -177.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -35.61 60.36 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.65 0.78 . . . . 0.0 111.286 172.717 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -76.27 -36.17 58.55 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.089 0.556 . . . . 0.0 111.277 176.214 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.7 tt -59.61 -75.81 0.05 Allowed 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 125.957 1.703 . . . . 0.0 109.094 -179.498 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.1 pt -52.34 -2.73 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 C-N-CA 127.523 2.329 . . . . 0.0 117.225 -167.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -94.43 -57.79 2.39 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.888 1.675 . . . . 0.0 110.159 168.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.9 mptt -81.44 32.4 0.35 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 127.503 2.321 . . . . 0.0 108.167 169.328 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.449 ' CG ' ' H ' ' A' ' 42' ' ' LEU . 0.4 OUTLIER -45.11 -114.21 0.0 OUTLIER 'General case' 0 N--CA 1.435 -1.18 0 N-CA-C 120.885 3.661 . . . . 0.0 120.885 -159.505 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.449 ' H ' ' CG ' ' A' ' 41' ' ' GLU . 29.5 mt -106.0 -67.74 0.91 Allowed 'General case' 0 N--CA 1.437 -1.095 0 C-N-CA 127.307 2.243 . . . . 0.0 112.555 -165.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.9 m -167.91 -24.38 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.551 1.94 . . . . 0.0 112.098 -169.11 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 34.4 mt -74.61 -89.08 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 -170.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.63 -68.46 0.41 Allowed Glycine 0 CA--C 1.528 0.865 0 N-CA-C 108.814 -1.715 . . . . 0.0 108.814 -169.209 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.5 t -155.5 140.74 17.57 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 104.755 -2.313 . . . . 0.0 104.755 167.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -149.99 -2.46 0.4 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.891 0.876 . . . . 0.0 111.829 -176.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 59.1 mt 77.46 -43.02 0.4 Allowed 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 128.739 2.816 . . . . 0.0 110.905 174.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -65.04 -21.09 66.78 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 122.822 0.449 . . . . 0.0 111.286 168.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -94.21 -158.88 0.66 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.793 1.637 . . . . 0.0 110.315 -176.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -165.95 162.65 18.26 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 125.212 1.405 . . . . 0.0 107.835 169.393 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -50.73 -41.47 56.35 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.1 0.96 . . . . 0.0 108.549 169.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.3 mm -50.11 -48.62 23.54 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 C-N-CA 124.429 1.092 . . . . 0.0 110.587 172.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.7 t -64.4 -47.28 90.14 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 O-C-N 121.567 -0.708 . . . . 0.0 109.114 179.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.87 -17.8 64.61 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.106 0.562 . . . . 0.0 112.142 -178.704 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 63.9 tp -86.38 -44.32 12.14 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.141 0.976 . . . . 0.0 110.119 170.407 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 51.1 mtt -65.2 -41.25 94.71 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -174.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -43.12 -53.24 5.06 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.696 0.799 . . . . 0.0 112.2 -176.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -39.3 -47.98 1.78 Allowed 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 126.946 2.098 . . . . 0.0 113.443 175.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 74.5 mt -53.46 -30.51 41.2 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 126.172 1.789 . . . . 0.0 115.201 -165.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -63.15 -11.58 21.49 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 118.384 0.538 . . . . 0.0 111.697 176.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.506 ' HG3' HH11 ' A' ' 62' ' ' ARG . 0.0 OUTLIER -58.6 21.87 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 117.115 2.265 . . . . 0.0 117.115 175.733 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -51.52 -37.26 48.49 Favored 'General case' 0 CA--C 1.522 -0.126 0 CA-C-N 120.26 1.391 . . . . 0.0 111.312 172.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.433 ' HD3' ' H ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -74.65 57.93 0.77 Allowed 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 123.798 0.839 . . . . 0.0 109.092 169.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -56.25 -32.49 64.55 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 123.899 0.88 . . . . 0.0 109.583 171.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.6 tp60 -68.77 70.09 0.18 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.979 1.312 . . . . 0.0 111.483 -178.22 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 65.2 91.4 0.08 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 126.361 1.865 . . . . 0.0 112.574 167.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 77.6 t -73.46 132.57 33.21 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 C-N-CA 125.035 1.334 . . . . 0.0 110.409 -173.315 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -101.16 175.08 5.71 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.3 1.44 . . . . 0.0 109.495 169.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -59.07 -45.32 91.12 Favored 'General case' 0 C--O 1.221 -0.413 0 C-N-CA 122.751 0.421 . . . . 0.0 112.119 -173.246 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -65.47 -50.18 66.29 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -177.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.64 -47.11 67.28 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.142 177.165 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -54.62 -55.61 27.65 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.361 1.064 . . . . 0.0 111.522 171.356 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 7.2 mm -54.73 -42.56 62.24 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.348 0 C-N-CA 124.62 1.168 . . . . 0.0 110.681 -176.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.5 m -33.24 -57.2 0.41 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.898 1.679 . . . . 0.0 113.196 -172.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -63.9 -43.0 97.31 Favored 'General case' 0 C--N 1.341 0.203 0 O-C-N 121.699 -0.626 . . . . 0.0 112.052 -178.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.504 ' H ' HD12 ' A' ' 77' ' ' LEU . 6.0 mp -57.13 -40.99 78.24 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 122.561 0.345 . . . . 0.0 110.224 172.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.32 -46.83 63.29 Favored Glycine 0 CA--C 1.526 0.751 0 C-N-CA 124.429 1.014 . . . . 0.0 111.314 175.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.06 -60.99 2.69 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 117.357 0.579 . . . . 0.0 110.269 172.219 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 76.6 mt -51.15 -35.1 34.1 Favored 'General case' 0 CA--C 1.528 0.101 0 C-N-CA 123.921 0.888 . . . . 0.0 112.112 -173.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -41.36 -45.15 2.98 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 126.359 1.864 . . . . 0.0 111.947 177.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 66.9 mtp -55.9 -31.99 63.34 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.291 1.437 . . . . 0.0 111.522 -178.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 32.2 mm -93.73 -64.35 1.29 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 125.623 1.569 . . . . 0.0 111.733 175.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . 0.254 0.1 OUTLIER -81.44 -37.4 28.1 Favored 'General case' 0 C--N 1.343 0.295 0 N-CA-C 115.034 1.494 . . . . 0.0 115.034 -166.738 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -82.72 -52.33 6.87 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 121.744 0.783 . . . . 0.0 110.053 -170.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -139.84 160.39 40.01 Favored 'General case' 0 N--CA 1.439 -1.024 0 CA-C-N 113.836 -1.529 . . . . 0.0 107.752 -168.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -99.91 37.32 1.65 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 105.955 -1.868 . . . . 0.0 105.955 167.147 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 48.3 mt 39.75 30.49 0.06 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 127.981 2.512 . . . . 0.0 112.053 -167.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 27.9 53.02 0.06 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.833 1.653 . . . . 0.0 110.985 -165.091 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.379 0 N-CA-C 108.889 -1.685 . . . . 0.0 108.889 -169.459 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.5 ttt . . . . . 0 CA--C 1.534 0.343 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 68.86 65.23 0.3 Allowed 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 125.474 1.509 . . . . 0.0 111.461 172.102 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 48.3 t -152.45 159.02 33.22 Favored Pre-proline 0 CA--C 1.535 0.381 0 N-CA-C 106.16 -1.793 . . . . 0.0 106.16 175.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -49.58 -50.33 13.37 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 122.704 2.27 . . . . 0.0 114.993 -170.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 11.2 mp -64.68 -56.9 10.83 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 -178.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -43.3 -52.9 5.55 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 124.281 1.032 . . . . 0.0 112.36 173.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -57.33 -52.51 65.06 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.699 0.8 . . . . 0.0 110.438 177.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.07 -49.14 76.78 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 118.356 0.525 . . . . 0.0 111.365 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 53.3 mt -59.57 -49.11 84.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 178.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -51.87 -46.9 54.68 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 124.263 0.935 . . . . 0.0 111.345 175.399 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 52.3 mt -63.29 -48.34 78.52 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 123.342 0.657 . . . . 0.0 110.277 177.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 75.0 mt -54.83 -48.66 72.56 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 119.43 1.014 . . . . 0.0 110.615 177.318 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 mm -60.87 -45.28 98.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 123.126 0.57 . . . . 0.0 110.345 177.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.04 -57.18 18.37 Favored Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -178.248 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -64.65 -34.11 67.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 C-N-CA 125.223 1.409 . . . . 0.0 110.073 -173.23 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -33.0 -61.89 0.27 Allowed 'General case' 0 C--N 1.342 0.271 0 C-N-CA 124.955 1.302 . . . . 0.0 113.587 178.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' HIS . . . . . 0.416 ' CG ' ' HG3' ' B' ' 23' ' ' GLU . 0.7 OUTLIER -91.99 -4.72 54.17 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.992 0.917 . . . . 0.0 113.364 -178.478 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 4.7 mmtm -64.78 -32.84 74.71 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 165.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 17.3 m-30 -73.67 102.33 3.9 Favored 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 105.327 -2.101 . . . . 0.0 105.327 165.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 66.1 m 121.76 -4.18 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 131.613 3.965 . . . . 0.0 110.857 -168.194 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.86 -60.24 3.79 Favored Glycine 0 CA--C 1.525 0.657 0 C-N-CA 126.009 1.766 . . . . 0.0 111.132 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -126.32 122.99 37.03 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.712 1.605 . . . . 0.0 112.63 -167.737 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.416 ' HG3' ' CG ' ' B' ' 17' ' ' HIS . 21.5 mp0 -50.0 178.13 0.01 OUTLIER 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 129.653 3.181 . . . . 0.0 113.661 172.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.72 -99.16 2.45 Favored Glycine 0 CA--C 1.526 0.753 0 C-N-CA 126.608 2.052 . . . . 0.0 111.163 171.015 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -53.18 -64.48 0.81 Allowed 'General case' 0 CA--C 1.519 -0.213 0 C-N-CA 125.364 1.465 . . . . 0.0 110.483 173.199 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 4.6 mmmp? -72.96 64.07 0.68 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.619 0.723 . . . . 0.0 111.372 171.159 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 10.4 p-80 -78.62 45.49 0.59 Allowed 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 167.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 2.4 p -156.5 164.55 38.09 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 126.358 1.863 . . . . 0.0 107.715 -167.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 26.0 mt -70.67 175.78 4.66 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 166.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 67.6 m -127.18 130.93 50.66 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 103.525 -2.768 . . . . 0.0 103.525 164.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 3.5 pttm -40.25 -48.34 2.59 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 -168.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.66 -46.5 70.62 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 121.691 -0.63 . . . . 0.0 111.187 176.601 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -61.25 -28.22 69.01 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.84 0.856 . . . . 0.0 110.662 -177.297 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.1 -31.6 65.43 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.49 -0.756 . . . . 0.0 109.716 173.711 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -58.73 -26.88 64.37 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.394 -0.816 . . . . 0.0 112.215 173.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.99 -51.87 8.05 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 119.355 0.979 . . . . 0.0 108.368 173.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 tt -41.91 -54.15 3.55 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.687 1.595 . . . . 0.0 111.054 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 20.1 tt -59.87 -33.4 52.45 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 C-N-CA 123.347 0.659 . . . . 0.0 112.572 -177.369 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -78.49 -52.95 7.77 Favored 'General case' 0 C--N 1.338 0.104 0 CA-C-N 118.536 0.607 . . . . 0.0 110.023 178.091 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' LYS . . . . . 0.414 ' NZ ' ' OE2' ' B' ' 41' ' ' GLU . 7.4 mtmp? -89.55 -80.08 0.31 Allowed 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.252 0.621 . . . . 0.0 111.063 -172.009 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.414 ' OE2' ' NZ ' ' B' ' 40' ' ' LYS . 18.4 mp0 -53.49 -36.76 62.04 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.92 0.888 . . . . 0.0 113.281 -168.217 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 24.5 mt -66.95 0.61 2.39 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 176.354 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 3.8 m 22.47 73.98 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 127.374 2.269 . . . . 0.0 115.026 167.062 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . 0.311 62.3 mt 89.94 -38.79 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 125.424 1.49 . . . . 0.0 112.817 177.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.91 115.43 7.83 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 -175.622 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 24.1 m 136.88 -44.88 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 131.114 3.766 . . . . 0.0 107.457 -170.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 28.9 mtmm 32.97 65.72 0.23 Allowed 'General case' 0 C--N 1.344 0.348 0 C-N-CA 126.011 1.725 . . . . 0.0 112.48 -177.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 2.7 mm? 67.61 -61.96 0.35 Allowed 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 126.636 1.974 . . . . 0.0 111.817 -178.386 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -163.24 45.65 0.13 Allowed 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.396 0.678 . . . . 0.0 111.629 -177.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -79.31 168.61 19.29 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 174.165 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.44 -30.03 4.68 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 126.011 1.725 . . . . 0.0 111.577 173.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -39.89 -46.84 2.08 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.862 1.265 . . . . 0.0 111.639 169.151 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 5.9 mt -65.74 -42.25 92.08 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 CA-C-N 118.738 0.699 . . . . 0.0 110.358 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 41.0 t -60.33 -40.99 85.57 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 O-C-N 120.975 -1.078 . . . . 0.0 109.934 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 10.9 tptp -89.78 11.67 19.42 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 174.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 48.9 tp -91.31 -40.04 11.71 Favored 'General case' 0 C--O 1.226 -0.15 0 N-CA-C 106.256 -1.757 . . . . 0.0 106.256 166.03 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 51.0 ttm -50.17 -31.96 14.98 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 122.95 0.5 . . . . 0.0 111.134 172.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -36.34 -38.77 0.16 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.654 1.982 . . . . 0.0 113.057 168.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -29.48 -49.15 0.09 Allowed 'General case' 0 C--N 1.344 0.363 0 C-N-CA 126.412 1.885 . . . . 0.0 112.706 169.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 93.7 mt -53.15 -13.4 0.49 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.876 2.071 . . . . 0.0 114.085 -174.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -53.08 -18.63 2.22 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.181 0.993 . . . . 0.0 110.721 165.27 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.94 20.73 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 128.985 2.914 . . . . 0.0 116.871 173.537 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -61.51 -46.76 88.64 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 119.294 -2.129 . . . . 0.0 111.331 175.051 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.13 169.71 17.82 Favored 'General case' 0 N--CA 1.438 -1.055 0 CA-C-O 122.358 1.075 . . . . 0.0 109.867 178.153 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 25.8 t0 49.67 34.94 7.89 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 127.85 2.46 . . . . 0.0 113.094 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 71.1 mm-40 73.77 -49.12 0.68 Allowed 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 126.161 1.784 . . . . 0.0 115.286 168.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -147.65 -175.38 4.84 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.73 1.212 . . . . 0.0 109.054 174.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 22.8 t -59.68 121.85 8.42 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 C-N-CA 123.733 0.813 . . . . 0.0 110.245 -169.437 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -104.96 171.58 7.24 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.815 1.246 . . . . 0.0 110.076 -176.598 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -60.67 -36.32 78.43 Favored 'General case' 0 C--N 1.341 0.222 0 O-C-N 121.635 -0.666 . . . . 0.0 111.009 -171.336 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -52.45 -64.76 0.71 Allowed 'General case' 0 C--O 1.224 -0.254 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 172.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 31.1 mp0 -51.02 -56.88 10.31 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.784 1.234 . . . . 0.0 110.654 -177.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -43.84 -56.69 3.71 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.951 1.3 . . . . 0.0 110.847 175.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 24.7 mm -63.52 -35.84 74.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 CA-C-O 119.226 -0.416 . . . . 0.0 111.215 177.25 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 23.8 m -59.15 -50.32 74.48 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 108.698 -0.852 . . . . 0.0 108.698 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . 0.253 7.7 p90 -66.51 -51.31 57.98 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 117.842 -1.543 . . . . 0.0 111.916 176.025 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 39.7 mt -48.62 -42.77 35.14 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 118.373 0.533 . . . . 0.0 111.586 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -49.23 -41.24 30.78 Favored Glycine 0 CA--C 1.53 0.991 0 C-N-CA 125.35 1.452 . . . . 0.0 113.203 175.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.49 -50.54 51.52 Favored 'General case' 0 C--N 1.34 0.16 0 CA-C-N 117.991 0.895 . . . . 0.0 109.109 -177.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 4.1 mp -55.61 -40.51 72.18 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 176.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.53 8.31 0.5 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.745 1.618 . . . . 0.0 114.916 176.043 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 64.5 mtp -90.91 -37.36 13.59 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 164.522 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 25.4 mm -93.07 -65.3 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 C-N-CA 124.537 1.135 . . . . 0.0 113.831 -167.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . 0.251 0.0 OUTLIER -69.71 -12.62 61.78 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 116.561 2.06 . . . . 0.0 116.561 -165.38 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -91.66 -100.14 0.11 Allowed 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.117 1.367 . . . . 0.0 113.136 -173.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.11 20.52 6.36 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 126.006 1.722 . . . . 0.0 112.117 -168.437 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . 47.25 29.16 1.15 Allowed 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.129 0.972 . . . . 0.0 110.907 -170.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 40.1 mt 50.14 36.88 13.21 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 126.29 1.836 . . . . 0.0 111.574 -174.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 3.7 ptmm? 46.27 41.77 9.37 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.963 1.305 . . . . 0.0 113.0 -170.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 90' ' ' GLY . . . . . 0.503 ' OXT' ' HA2' ' A' ' 24' ' ' GLY . . . . . . . . 0 C--O 1.27 2.395 0 C-N-CA 123.626 0.632 . . . . 0.0 111.885 178.471 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.4 mtm . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.609 -0.145 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.51 33.29 0.96 Allowed 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.842 0.857 . . . . 0.0 110.828 179.463 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.45 166.91 21.48 Favored Pre-proline 0 CA--C 1.539 0.525 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 172.023 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -50.66 -48.89 18.55 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 122.597 2.198 . . . . 0.0 112.61 178.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 57.1 mt -52.37 -64.63 0.75 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.223 1.009 . . . . 0.0 109.126 176.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -45.3 -54.86 6.55 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 127.431 2.292 . . . . 0.0 109.912 -179.353 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -59.21 -49.89 76.11 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.748 1.219 . . . . 0.0 110.191 -177.126 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.26 -53.71 44.74 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 117.786 0.266 . . . . 0.0 110.836 -177.556 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 83.1 mt -51.56 -56.67 4.85 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 178.248 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.37 -55.14 17.41 Favored Glycine 0 CA--C 1.524 0.616 0 C-N-CA 124.229 0.919 . . . . 0.0 111.491 179.099 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 69.4 tp -60.51 -60.05 4.42 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 117.585 0.692 . . . . 0.0 109.549 -175.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.5 mt -64.16 -46.77 82.57 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.902 -170.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.3 mt -65.78 -42.78 93.07 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.13 0 CA-C-N 118.389 0.54 . . . . 0.0 109.906 177.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.68 -56.72 10.8 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 176.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.6 mm -64.93 -46.61 91.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-O 118.661 -0.685 . . . . 0.0 111.069 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -28.88 -77.56 0.02 OUTLIER 'General case' 0 C--N 1.344 0.327 0 C-N-CA 126.506 1.923 . . . . 0.0 112.94 -168.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.434 ' CD2' ' HA ' ' A' ' 25' ' ' ASP . 0.1 OUTLIER -92.79 14.33 17.62 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 125.572 1.549 . . . . 0.0 113.017 -172.566 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.89 -31.23 27.41 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 118.881 0.764 . . . . 0.0 110.871 177.249 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -73.87 2.74 7.83 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -178.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.7 m -75.19 43.54 0.22 Allowed 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 119.452 1.023 . . . . 0.0 111.337 169.262 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 71.05 -68.43 0.84 Allowed Glycine 0 CA--C 1.525 0.671 0 C-N-CA 127.026 2.251 . . . . 0.0 109.554 -170.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.3 tttm -110.0 -176.88 3.11 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 105.969 -1.863 . . . . 0.0 105.969 172.007 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -77.28 66.94 3.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 124.308 2.004 . . . . 0.0 111.559 174.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.15 122.69 7.55 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 106.664 -2.574 . . . . 0.0 106.664 171.596 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.434 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 33.9 t70 -77.53 65.84 3.14 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 118.042 0.921 . . . . 0.0 111.524 -172.165 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.407 ' HZ3' ' HB3' ' A' ' 26' ' ' LYS . 6.7 mtpm? -87.82 133.31 33.91 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 173.071 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -91.63 9.33 32.73 Favored 'General case' 0 CA--C 1.53 0.201 0 O-C-N 122.375 -0.203 . . . . 0.0 111.318 -173.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.5 p -145.97 152.64 39.72 Favored 'General case' 0 C--O 1.24 0.567 0 C-N-CA 126.351 1.86 . . . . 0.0 106.551 169.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.6 mp -93.42 111.91 23.69 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 169.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 17.2 m -84.5 63.8 8.07 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 123.687 0.795 . . . . 0.0 110.492 -170.447 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.0 mptt 66.75 -65.48 0.21 Allowed 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 127.629 2.372 . . . . 0.0 112.014 174.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.412 ' NZ ' ' OE1' ' A' ' 33' ' ' GLU . 3.2 mtmp? -51.63 -51.72 53.46 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.687 0.795 . . . . 0.0 110.147 -177.303 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.412 ' OE1' ' NZ ' ' A' ' 32' ' ' LYS . 2.1 mp0 -50.56 -46.5 57.69 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 123.193 0.597 . . . . 0.0 111.161 176.434 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 26.3 tp -71.08 -40.15 71.76 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 120.017 -0.673 . . . . 0.0 110.098 -178.367 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? -50.75 -45.86 59.05 Favored 'General case' 0 C--N 1.341 0.208 0 CA-C-N 118.651 0.659 . . . . 0.0 109.584 171.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -66.33 -41.82 89.06 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 121.467 0.651 . . . . 0.0 110.71 -178.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.443 HD21 HD21 ' A' ' 42' ' ' LEU . 7.8 tt -55.62 -66.04 0.49 Allowed 'General case' 0 N--CA 1.441 -0.906 0 CA-C-O 116.945 -1.502 . . . . 0.0 110.551 176.727 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.57 ' HA ' ' HB3' ' A' ' 41' ' ' GLU . 22.7 pt -60.22 13.22 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.556 1.18 0 C-N-CA 126.609 1.964 . . . . 0.0 115.497 -168.141 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -91.94 -71.53 0.64 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.919 1.688 . . . . 0.0 110.074 170.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.9 ptmm? -92.4 30.83 1.41 Allowed 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 128.378 2.671 . . . . 0.0 109.03 -177.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.57 ' HB3' ' HA ' ' A' ' 38' ' ' ILE . 0.1 OUTLIER -75.39 -111.97 0.01 OUTLIER 'General case' 0 N--CA 1.432 -1.33 1 N-CA-C 123.744 4.72 . . . . 0.0 123.744 -156.586 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.509 ' H ' ' CG ' ' A' ' 41' ' ' GLU . 28.2 mt -99.67 -60.44 1.53 Allowed 'General case' 0 N--CA 1.438 -1.038 0 C-N-CA 128.805 2.842 . . . . 0.0 113.347 -164.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 35.6 p -56.36 -89.09 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.439 0 O-C-N 124.721 1.263 . . . . 0.0 113.793 -166.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -121.36 -46.34 2.5 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.813 -167.268 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 150.31 -142.77 9.95 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 106.66 -2.576 . . . . 0.0 106.66 -172.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 m -74.1 53.48 0.49 Allowed 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.602 1.161 . . . . 0.0 112.259 179.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.85 41.14 3.6 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 127.248 2.219 . . . . 0.0 113.762 -178.301 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 41.7 mt -45.47 -48.54 13.91 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.203 1.001 . . . . 0.0 112.469 -168.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.24 -72.98 0.66 Allowed 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 169.234 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -92.92 -145.36 0.22 Allowed 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.493 1.117 . . . . 0.0 108.988 -177.364 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 114.79 -56.26 0.0 OUTLIER 'General case' 0 C--O 1.224 -0.283 1 C-N-CA 132.138 4.175 . . . . 0.0 105.318 -169.336 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.5 pm0 -50.92 -45.62 60.48 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 125.893 1.677 . . . . 0.0 113.548 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 26.8 mm -82.18 -47.08 19.4 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.104 0 CA-C-N 119.529 1.059 . . . . 0.0 108.169 -176.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 56.5 t -54.22 -34.57 27.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 O-C-N 121.985 -0.447 . . . . 0.0 111.073 176.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 36.8 mmtt -57.58 -29.6 64.58 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.532 0.733 . . . . 0.0 112.945 175.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.5 tt -54.23 -30.56 50.61 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-O 118.879 -0.581 . . . . 0.0 110.365 172.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -90.32 -62.46 1.46 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.542 0.737 . . . . 0.0 110.226 169.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -48.96 -46.84 44.02 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.038 0.935 . . . . 0.0 112.807 -168.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.32 17.83 2.43 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -173.475 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 80.3 mt -90.58 -65.67 0.99 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 119.399 1.0 . . . . 0.0 110.909 173.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.15 -30.75 0.1 Allowed 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 128.254 2.622 . . . . 0.0 111.252 174.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 62' ' ' ARG . 0.7 OUTLIER -53.19 26.11 0.0 OUTLIER 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 129.977 3.311 . . . . 0.0 115.332 167.858 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.46 ' ND2' ' H ' ' A' ' 65' ' ' ASP . 9.7 t30 -32.77 -64.04 0.2 Allowed 'General case' 0 C--O 1.236 0.369 0 C-N-CA 126.998 2.119 . . . . 0.0 110.774 168.062 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.33 30.59 0.32 Allowed 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.981 1.312 . . . . 0.0 111.253 -177.28 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.46 ' H ' ' ND2' ' A' ' 63' ' ' ASN . 0.7 OUTLIER -23.43 -65.94 0.04 OUTLIER 'General case' 0 C--N 1.344 0.342 0 C-N-CA 128.601 2.761 . . . . 0.0 109.616 -167.279 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -99.88 -44.34 6.09 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 110.918 -2.855 . . . . 0.0 111.782 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -159.94 165.36 32.24 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.686 1.195 . . . . 0.0 109.321 170.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.6 t -79.69 119.12 28.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 C-N-CA 124.546 1.138 . . . . 0.0 109.219 -173.271 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -103.6 152.1 22.15 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.511 1.124 . . . . 0.0 111.131 176.413 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -44.83 -50.88 10.02 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 125.943 1.697 . . . . 0.0 111.178 171.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -54.86 -38.1 67.06 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 122.675 0.39 . . . . 0.0 111.374 -176.049 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -69.13 -62.33 1.42 Allowed 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 177.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -38.33 -52.82 1.52 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 126.541 1.937 . . . . 0.0 112.219 178.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 11.4 tp -66.44 -30.78 50.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 O-C-N 121.76 -0.587 . . . . 0.0 111.837 -174.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 31.2 m -59.65 -53.43 58.13 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 121.628 0.727 . . . . 0.0 110.547 -172.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -73.27 -41.91 63.09 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.233 -172.011 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.4 mt -46.1 -54.15 9.06 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 168.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.82 -57.96 10.08 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 124.539 1.066 . . . . 0.0 112.266 177.236 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.62 -58.17 7.1 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 117.015 0.408 . . . . 0.0 110.955 178.359 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 41.9 mt -63.41 -32.56 74.03 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -173.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -49.34 -41.05 37.58 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.66 0.664 . . . . 0.0 111.787 175.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 89.5 mtp -55.23 -36.07 65.61 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 122.605 0.362 . . . . 0.0 111.355 177.287 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 43.2 mt -84.41 -56.08 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 C-N-CA 123.826 0.851 . . . . 0.0 109.169 -175.471 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -90.07 -21.31 22.37 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 115.35 1.611 . . . . 0.0 115.35 -168.275 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -72.13 -68.38 0.47 Allowed 'General case' 0 C--N 1.342 0.28 0 CA-C-N 120.37 1.441 . . . . 0.0 111.884 -168.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -165.89 -166.59 0.95 Allowed 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 126.964 2.106 . . . . 0.0 106.332 -179.513 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -80.26 46.18 0.81 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 119.844 1.202 . . . . 0.0 107.942 174.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.9 mt 50.49 46.71 25.09 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 125.255 1.422 . . . . 0.0 108.981 -166.25 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 1.111 ' O ' ' OXT' ' A' ' 90' ' ' GLY . 0.2 OUTLIER 61.22 73.73 0.47 Allowed 'General case' 0 C--N 1.344 0.35 0 O-C-N 123.975 0.797 . . . . 0.0 111.469 176.407 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 1.111 ' OXT' ' O ' ' A' ' 89' ' ' LYS . . . . . . . . 0 C--O 1.27 2.399 0 C-N-CA 127.613 2.53 . . . . 0.0 115.137 170.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 47.0 ttp . . . . . 0 N--CA 1.449 -0.481 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.24 153.77 36.77 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 105.816 -1.92 . . . . 0.0 105.816 176.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 89.1 p -70.4 159.44 84.78 Favored Pre-proline 0 CA--C 1.535 0.403 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 169.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -54.9 -40.9 83.21 Favored 'Trans proline' 0 N--CA 1.455 -0.766 0 C-N-CA 121.547 1.498 . . . . 0.0 110.646 172.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 84.2 mt -61.04 -57.41 12.7 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 122.88 0.472 . . . . 0.0 110.631 176.386 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -55.46 -42.51 74.39 Favored 'General case' 0 C--O 1.221 -0.406 0 C-N-CA 122.535 0.334 . . . . 0.0 110.306 -178.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -65.29 -49.11 70.75 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.411 0.551 . . . . 0.0 111.549 177.184 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.93 -55.29 20.1 Favored 'General case' 0 C--O 1.232 0.137 0 O-C-N 121.976 -0.453 . . . . 0.0 110.408 -173.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 48.6 mt -61.02 -37.36 77.14 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 173.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -42.3 -36.96 2.27 Favored Glycine 0 C--N 1.335 0.518 0 C-N-CA 127.309 2.385 . . . . 0.0 113.967 170.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -57.57 -50.48 72.97 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.293 1.547 . . . . 0.0 109.264 175.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 39.1 mt -70.19 -50.11 43.46 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.559 1.144 . . . . 0.0 109.949 -177.009 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 84.5 mt -58.43 -30.56 41.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 C-N-CA 123.99 0.916 . . . . 0.0 110.532 175.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.01 -61.75 3.87 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 109.857 -1.297 . . . . 0.0 109.857 176.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 55.0 mt -49.18 -40.45 13.5 Favored 'Isoleucine or valine' 0 C--N 1.34 0.195 0 C-N-CA 123.739 0.816 . . . . 0.0 110.65 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -32.85 -71.17 0.06 Allowed 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 125.609 1.563 . . . . 0.0 113.972 -177.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 3.8 p80 -92.96 13.49 20.48 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 123.133 0.573 . . . . 0.0 112.343 -178.14 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -53.43 -41.67 66.3 Favored 'General case' 0 CA--C 1.527 0.084 0 CA-C-N 119.153 0.888 . . . . 0.0 110.191 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' TYR . . . . . 0.423 ' CE2' ' HB3' ' B' ' 36' ' ' GLU . 49.0 m-85 -70.44 -9.31 56.11 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -179.525 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 9.5 m -78.26 -11.79 59.96 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 118.692 0.678 . . . . 0.0 110.718 168.262 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -76.83 52.68 3.26 Favored Glycine 0 CA--C 1.529 0.962 0 C-N-CA 124.982 1.277 . . . . 0.0 111.857 -175.045 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 mtmm -138.27 -53.46 0.62 Allowed 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 127.532 2.333 . . . . 0.0 106.008 172.002 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 33.9 mp0 -67.35 -50.47 59.74 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 127.478 2.311 . . . . 0.0 110.118 171.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 145.95 150.38 5.19 Favored Glycine 0 CA--C 1.528 0.849 0 N-CA-C 107.267 -2.333 . . . . 0.0 107.267 -170.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -71.0 68.74 0.45 Allowed 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 118.865 1.332 . . . . 0.0 113.372 -168.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -72.63 113.58 9.82 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 128.34 2.656 . . . . 0.0 107.804 175.26 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 33.2 m170 -77.75 42.01 0.36 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.3 0.64 . . . . 0.0 112.471 -175.087 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 57.3 p -155.28 132.85 11.19 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 126.654 1.982 . . . . 0.0 107.057 170.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 16.3 mt -98.51 152.01 20.01 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 123.088 0.555 . . . . 0.0 109.885 175.521 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 15.3 m -107.96 -67.35 0.97 Allowed 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 -170.628 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.44 -64.07 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 125.76 1.624 . . . . 0.0 109.813 -174.127 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -55.82 -34.85 65.75 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-O 121.057 0.456 . . . . 0.0 111.568 -175.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 0.478 ' CD ' ' H ' ' B' ' 33' ' ' GLU . 20.3 mp0 -68.61 -47.38 66.84 Favored 'General case' 0 N--CA 1.443 -0.776 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 178.312 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 23.9 mt -59.9 -46.99 87.59 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.846 -179.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -46.6 -44.51 18.26 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 118.83 0.741 . . . . 0.0 111.414 -179.002 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.423 ' HB3' ' CE2' ' B' ' 19' ' ' TYR . 62.4 mm-40 -74.21 -43.56 56.69 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 178.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 tt -67.77 -56.9 7.44 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 124.043 0.937 . . . . 0.0 111.443 -175.32 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 6.1 pt -61.22 -58.27 8.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 C-N-CA 123.393 0.677 . . . . 0.0 111.877 -167.367 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -49.2 -56.75 8.3 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.523 0.729 . . . . 0.0 110.412 176.089 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -73.64 -62.21 1.57 Allowed 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -168.211 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -92.48 -31.08 15.39 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -168.223 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 17.5 mt -82.61 -56.3 3.94 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-N 119.388 0.995 . . . . 0.0 111.793 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 16.8 p -65.63 154.81 37.76 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 119.61 1.095 . . . . 0.0 111.678 -173.141 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -42.19 -59.13 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 125.058 1.343 . . . . 0.0 113.826 -177.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.27 -73.95 0.29 Allowed Glycine 0 CA--C 1.532 1.099 0 N-CA-C 110.496 -1.042 . . . . 0.0 110.496 -168.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 40.7 m -76.61 61.35 1.78 Allowed 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.1 1.36 . . . . 0.0 112.177 -172.6 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 23.6 ttmt -172.58 -46.39 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 125.711 1.604 . . . . 0.0 108.657 172.193 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 49.6 mt 58.2 -153.04 0.39 Allowed 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 -165.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 74.17 -62.04 0.47 Allowed 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 126.907 2.083 . . . . 0.0 109.724 -178.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -78.01 66.17 3.58 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.831 1.252 . . . . 0.0 107.901 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -96.87 -82.34 0.41 Allowed 'General case' 0 C--O 1.233 0.226 0 C-N-CA 123.559 0.744 . . . . 0.0 111.029 -173.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 54.7 mp0 -58.61 -44.32 89.89 Favored 'General case' 0 N--CA 1.457 -0.092 0 C-N-CA 123.781 0.832 . . . . 0.0 109.675 -172.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 7.7 tp -53.2 -33.87 21.07 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 C-N-CA 124.215 1.006 . . . . 0.0 111.967 175.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 82.5 t -82.14 -48.62 18.19 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.135 0 CA-C-N 118.447 0.567 . . . . 0.0 109.639 176.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -51.77 -40.95 61.22 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 118.583 0.629 . . . . 0.0 111.158 178.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 59.0 tp -46.12 -38.43 8.12 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.767 0.827 . . . . 0.0 112.236 172.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 14.1 mmt -90.01 -52.08 5.14 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.786 0.834 . . . . 0.0 110.078 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -60.9 -36.79 80.17 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 125.07 1.348 . . . . 0.0 112.118 -173.171 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -72.43 -1.28 15.1 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 119.748 -1.845 . . . . 0.0 113.035 175.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 77.8 mt -64.78 -3.55 3.44 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.109 -0.994 . . . . 0.0 110.948 168.318 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -46.28 -34.73 4.69 Favored 'General case' 0 C--N 1.346 0.453 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 163.483 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . 0.288 73.0 mtm-85 -77.62 22.97 0.24 Allowed 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 178.355 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -49.48 -44.43 45.94 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.291 0.95 . . . . 0.0 109.01 166.371 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . 0.343 0.0 OUTLIER 61.77 -15.23 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 118.161 2.652 . . . . 0.0 118.161 169.045 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -67.59 -24.74 65.53 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 120.213 1.37 . . . . 0.0 111.487 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.79 166.26 24.88 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 126.295 1.838 . . . . 0.0 108.691 -177.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -72.82 142.19 48.01 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 168.138 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 77.6 t -69.29 104.93 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 N-CA-C 106.384 -1.71 . . . . 0.0 106.384 173.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -99.88 -173.03 2.34 Favored 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 106.6 -1.63 . . . . 0.0 106.6 175.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.412 ' O ' HG22 ' B' ' 74' ' ' ILE . 32.6 t80 -61.01 -36.02 78.4 Favored 'General case' 0 C--O 1.222 -0.35 0 C-N-CA 119.36 -0.936 . . . . 0.0 110.316 -173.206 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.45 -61.24 2.44 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 118.126 0.421 . . . . 0.0 110.141 -176.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 27.4 mp0 -63.93 -51.25 65.28 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -178.284 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -44.69 -53.93 6.75 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.613 0.765 . . . . 0.0 112.061 -178.27 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 74' ' ' ILE . . . . . 0.412 HG22 ' O ' ' B' ' 70' ' ' PHE . 10.5 tp -77.68 -41.5 28.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 122.784 0.434 . . . . 0.0 110.923 -172.43 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 54.4 m -59.62 -46.41 89.07 Favored 'General case' 0 C--N 1.339 0.129 0 CA-C-O 121.597 0.713 . . . . 0.0 109.297 177.515 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -52.47 -62.17 1.82 Allowed 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 126.382 1.873 . . . . 0.0 109.408 171.38 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -42.47 -46.6 4.84 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-N 118.968 0.804 . . . . 0.0 111.336 173.64 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.16 -59.67 10.38 Favored Glycine 0 CA--C 1.526 0.768 0 C-N-CA 124.104 0.859 . . . . 0.0 111.517 178.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.75 -50.05 74.52 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 117.967 0.883 . . . . 0.0 110.115 -177.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 9.8 mp -49.75 -53.38 25.25 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 124.477 1.111 . . . . 0.0 109.761 174.31 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.49 -54.19 46.62 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.582 0.753 . . . . 0.0 110.799 -176.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 82' ' ' MET . . . . . 0.401 ' HG3' HD12 ' B' ' 88' ' ' LEU . 39.1 ttp -44.07 -54.68 5.3 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.086 1.354 . . . . 0.0 108.933 176.409 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 30.3 mm -65.58 -71.25 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 122.69 0.396 . . . . 0.0 111.082 178.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -61.28 -22.77 65.15 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 -167.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -64.45 -75.3 0.09 Allowed 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 177.027 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.597 ' HG3' ' H ' ' B' ' 89' ' ' LYS . 5.1 pt-20 -160.51 43.2 0.19 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.666 -178.19 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . 46.76 37.62 4.93 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 -169.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.401 HD12 ' HG3' ' B' ' 82' ' ' MET . 0.5 OUTLIER 41.68 59.09 2.58 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 126.578 1.951 . . . . 0.0 111.626 -169.812 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 89' ' ' LYS . . . . . 0.597 ' H ' ' HG3' ' B' ' 86' ' ' GLU . 29.2 mmtm 63.04 39.41 10.12 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 125.771 1.629 . . . . 0.0 108.39 178.04 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.269 2.334 0 N-CA-C 109.394 -1.482 . . . . 0.0 109.394 -168.956 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.391 0 N-CA-C 112.2 0.445 . . . . 0.0 112.2 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.29 -93.56 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.208 1.003 . . . . 0.0 112.389 -174.272 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -68.78 163.88 51.33 Favored Pre-proline 0 CA--C 1.535 0.37 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -178.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -47.28 -45.78 21.36 Favored 'Trans proline' 0 CA--C 1.534 0.477 0 C-N-CA 122.385 2.057 . . . . 0.0 111.586 170.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -48.29 -59.62 3.29 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.522 0.729 . . . . 0.0 109.624 171.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -61.83 -28.83 69.75 Favored 'General case' 0 C--O 1.225 -0.204 0 C-N-CA 124.052 0.941 . . . . 0.0 111.588 -176.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -70.19 -53.14 18.37 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 119.09 0.859 . . . . 0.0 110.005 176.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.99 -52.02 67.17 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 121.163 0.506 . . . . 0.0 110.334 177.477 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 24.9 mm -53.84 -44.78 61.44 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.409 0 C-N-CA 123.504 0.722 . . . . 0.0 109.434 173.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -51.29 -54.16 24.82 Favored Glycine 0 CA--C 1.525 0.695 0 C-N-CA 124.909 1.243 . . . . 0.0 111.562 175.22 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -54.28 -53.45 53.61 Favored 'General case' 0 CA--C 1.528 0.128 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 175.55 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.0 mt -56.55 -39.05 72.75 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 119.227 -0.416 . . . . 0.0 111.858 -178.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.5 mt -64.83 -48.16 85.5 Favored 'Isoleucine or valine' 0 C--O 1.23 0.076 0 C-N-CA 124.931 1.292 . . . . 0.0 109.223 176.073 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.0 -53.03 35.89 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.273 -1.131 . . . . 0.0 110.273 177.684 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.5 mm -57.6 -67.14 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 123.33 0.652 . . . . 0.0 109.448 176.509 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -29.9 -70.23 0.06 Allowed 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 126.471 1.908 . . . . 0.0 111.71 172.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . 0.283 1.1 m-70 -79.44 6.3 10.57 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 115.443 1.646 . . . . 0.0 115.443 -173.424 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.85 -22.59 65.12 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.825 1.193 . . . . 0.0 108.515 166.423 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -117.75 47.61 1.52 Allowed 'General case' 0 C--O 1.225 -0.202 0 C-N-CA 124.003 0.921 . . . . 0.0 109.424 -175.119 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.7 m -77.98 47.11 0.62 Allowed 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -178.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 74.88 102.32 0.1 OUTLIER Glycine 0 C--N 1.335 0.51 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 168.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -75.4 46.83 0.36 Allowed 'General case' 0 CA--C 1.541 0.622 0 O-C-N 121.266 -1.137 . . . . 0.0 110.822 172.544 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -172.83 -135.3 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 127.156 2.182 . . . . 0.0 109.222 178.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.24 -33.02 37.0 Favored Glycine 0 CA--C 1.524 0.655 0 C-N-CA 126.987 2.232 . . . . 0.0 111.89 -171.156 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -55.77 114.22 1.8 Allowed 'General case' 0 C--O 1.223 -0.313 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 169.203 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.36 40.52 3.72 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 107.324 -1.361 . . . . 0.0 107.324 170.521 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -148.21 -34.57 0.22 Allowed 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 -170.101 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 61.8 p -132.12 -153.03 0.53 Allowed 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -177.151 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.0 mp -117.16 86.21 2.47 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 173.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.2 t -50.64 78.91 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 126.3 1.84 . . . . 0.0 113.288 172.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.292 32.2 mttp 16.53 -55.99 0.0 OUTLIER 'General case' 0 C--N 1.341 0.225 1 C-N-CA 133.97 4.908 . . . . 0.0 118.967 -175.965 . . . . . . . . 3 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.74 -32.71 44.62 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 120.134 1.333 . . . . 0.0 110.337 169.781 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -49.93 -56.24 11.33 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 122.028 0.918 . . . . 0.0 110.899 167.06 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.08 -25.68 63.64 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.307 -176.153 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.1 mmpt? -65.33 -42.85 92.5 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 120.81 -1.181 . . . . 0.0 110.865 172.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -56.55 -33.63 66.31 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 121.959 0.885 . . . . 0.0 110.959 172.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.4 tt -72.96 -75.09 0.15 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.894 1.278 . . . . 0.0 111.209 178.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 13.7 tt -43.98 -49.21 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 C-N-CA 126.196 1.799 . . . . 0.0 113.829 -168.501 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -59.59 -30.38 68.62 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.159 0.583 . . . . 0.0 111.26 -173.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -92.35 -91.61 0.16 Allowed 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 125.196 1.398 . . . . 0.0 113.785 -167.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.0 pm0 -84.91 -45.62 12.06 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 117.819 2.525 . . . . 0.0 117.819 -164.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.31 20.01 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 118.46 2.763 . . . . 0.0 118.46 -164.72 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.0 t -125.22 -166.22 1.51 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.868 1.267 . . . . 0.0 108.29 173.097 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.3 mt -81.53 69.48 0.56 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.147 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 -178.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 67.28 165.24 2.47 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 126.117 1.817 . . . . 0.0 110.221 -172.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.22 28.51 0.08 Allowed 'General case' 0 CA--C 1.538 0.509 0 O-C-N 120.872 -1.37 . . . . 0.0 113.094 -177.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 172.31 -43.95 0.01 OUTLIER 'General case' 0 C--N 1.34 0.191 0 C-N-CA 126.836 2.055 . . . . 0.0 111.623 178.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.9 tt -33.34 -57.76 0.41 Allowed 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.883 1.673 . . . . 0.0 111.996 -168.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -138.0 54.17 1.8 Allowed 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 167.477 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -117.58 147.35 42.91 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 125.426 1.49 . . . . 0.0 108.553 177.633 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -136.61 148.29 47.39 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 123.974 0.91 . . . . 0.0 109.744 176.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -63.96 -31.61 72.86 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 -174.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 50.0 pt -56.0 -35.46 41.18 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.792 0 CA-C-O 118.717 -0.659 . . . . 0.0 111.456 169.418 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.1 t -65.85 -52.44 49.59 Favored 'Isoleucine or valine' 0 C--N 1.343 0.295 0 CA-C-N 119.488 1.04 . . . . 0.0 108.35 175.37 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -52.66 -46.2 67.06 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 122.091 0.156 . . . . 0.0 111.034 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.5 mt -59.45 -30.46 68.52 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 123.16 0.584 . . . . 0.0 112.299 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 26.1 mmt -78.08 -57.15 3.95 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 118.979 0.809 . . . . 0.0 109.192 172.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -66.6 -15.34 63.37 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 126.033 1.733 . . . . 0.0 113.739 -169.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -59.26 -5.7 0.79 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.944 0.897 . . . . 0.0 110.4 165.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 mt -26.9 -33.33 0.0 OUTLIER 'General case' 0 C--N 1.344 0.36 1 C-N-CA 132.305 4.242 . . . . 0.0 115.73 169.532 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -42.23 -31.29 0.37 Allowed 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.242 0.928 . . . . 0.0 111.27 167.44 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -36.41 -52.12 0.83 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 127.953 2.501 . . . . 0.0 112.144 169.222 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -29.92 -88.65 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 129.478 3.111 . . . . 0.0 116.69 -169.07 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.82 128.35 35.34 Favored 'General case' 0 N--CA 1.44 -0.953 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 -167.707 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 41.2 t0 6.85 79.34 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 129.285 3.034 . . . . 0.0 114.073 169.418 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 53.11 -59.76 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 129.13 2.972 . . . . 0.0 118.356 164.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.47 157.1 1.58 Allowed 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 124.478 1.111 . . . . 0.0 111.415 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.5 p -162.82 85.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-O 123.015 1.388 . . . . 0.0 110.819 178.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -83.09 173.05 12.07 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 126.16 1.784 . . . . 0.0 109.194 171.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -47.84 -52.34 19.46 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.345 1.058 . . . . 0.0 111.425 -174.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -47.67 -47.34 29.6 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.081 0.552 . . . . 0.0 111.449 177.276 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -71.31 -53.88 12.72 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 -176.254 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -44.01 -45.2 7.77 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.174 1.389 . . . . 0.0 111.498 175.114 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 23.0 mm -60.8 -30.15 46.65 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 CA-C-O 117.94 -1.028 . . . . 0.0 112.629 -177.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 76.1 p -55.41 -54.31 45.28 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 121.043 1.747 . . . . 0.0 111.591 -170.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 14.6 p90 -64.32 -43.44 94.67 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.236 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 20.2 mt -52.91 -49.79 65.25 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.419 0.554 . . . . 0.0 110.018 172.562 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -52.89 -50.06 52.11 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 124.166 0.889 . . . . 0.0 112.684 174.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.33 -56.65 19.14 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 117.7 0.75 . . . . 0.0 110.296 176.188 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.4 tp -54.31 -40.31 67.82 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.249 1.419 . . . . 0.0 111.069 -177.124 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -46.76 -49.52 19.57 Favored 'General case' 0 C--N 1.339 0.144 0 C-N-CA 124.231 1.012 . . . . 0.0 111.553 175.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 74.7 mtm -67.38 -13.65 62.21 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 118.94 -0.553 . . . . 0.0 112.37 -178.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 45.0 mt -91.06 -71.36 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 171.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . 0.254 0.0 OUTLIER -77.17 -31.37 55.42 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -168.425 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.34 23.18 4.63 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.226 1.011 . . . . 0.0 112.155 -176.594 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -41.57 140.07 1.01 Allowed 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 122.809 1.29 . . . . 0.0 113.62 -169.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 148.69 -32.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 1 C-N-CA 132.621 4.368 . . . . 0.0 106.548 -168.679 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.468 ' H ' HD12 ' A' ' 88' ' ' LEU . 6.5 mp -58.3 -39.65 79.88 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 125.594 1.557 . . . . 0.0 111.139 178.582 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.821 ' O ' ' OXT' ' A' ' 90' ' ' GLY . 21.4 mtmm -103.89 -43.86 5.19 Favored 'General case' 0 N--CA 1.458 -0.062 0 C-N-CA 123.22 0.608 . . . . 0.0 109.429 176.266 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.821 ' OXT' ' O ' ' A' ' 89' ' ' LYS . . . . . . . . 0 C--O 1.271 2.433 0 C-N-CA 124.7 1.143 . . . . 0.0 111.177 179.291 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.3 tpt . . . . . 0 N--CA 1.449 -0.478 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.95 61.0 1.25 Allowed 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.906 0.882 . . . . 0.0 109.479 179.006 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.23 166.48 20.33 Favored Pre-proline 0 CA--C 1.54 0.566 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 172.372 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -50.77 -48.07 22.36 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 122.794 2.329 . . . . 0.0 112.94 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 63.5 mt -61.54 -54.86 37.64 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 122.796 0.439 . . . . 0.0 110.105 -179.281 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -45.93 -54.99 7.34 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 126.05 1.74 . . . . 0.0 109.29 175.789 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 13.5 tp60 -58.56 -42.01 86.94 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 124.028 0.931 . . . . 0.0 110.613 178.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.03 -44.05 97.0 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.834 0.743 . . . . 0.0 111.419 178.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 39.7 mm -57.88 -48.41 83.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 171.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.35 -46.52 22.24 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.301 -0.72 . . . . 0.0 111.301 170.352 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.43 -46.27 89.31 Favored 'General case' 0 C--O 1.224 -0.266 0 C-N-CA 124.534 1.134 . . . . 0.0 110.027 -179.235 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 47.3 mt -56.46 -44.27 80.35 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 119.298 0.954 . . . . 0.0 111.448 173.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 48.4 mt -64.43 -36.47 77.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 176.267 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.01 -56.59 24.32 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.541 -1.024 . . . . 0.0 110.541 172.395 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 95.3 mt -55.28 -39.79 53.47 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.183 0 CA-C-O 118.208 -0.901 . . . . 0.0 109.549 178.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -56.31 -77.96 0.03 OUTLIER 'General case' 0 C--N 1.341 0.224 0 CA-C-N 118.878 0.763 . . . . 0.0 109.176 168.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . 0.442 0.3 OUTLIER -73.28 2.43 7.46 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 118.485 2.772 . . . . 0.0 118.485 -168.667 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -60.68 -38.86 86.35 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 163.444 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' TYR . . . . . 0.434 ' HB3' ' HB3' ' B' ' 33' ' ' GLU . 67.3 m-85 -82.05 143.53 31.47 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 169.483 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 14.7 m 91.87 36.92 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 127.006 2.122 . . . . 0.0 106.128 -164.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.5 -19.79 77.97 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 121.935 -0.478 . . . . 0.0 113.167 -168.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.12 -167.12 1.56 Allowed 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 106.415 -1.698 . . . . 0.0 106.415 -175.215 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 80.12 141.51 0.07 Allowed 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 127.079 2.152 . . . . 0.0 110.247 -177.251 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.87 163.39 33.33 Favored Glycine 0 CA--C 1.529 0.916 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 172.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.8 t70 68.62 -27.76 0.15 Allowed 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 115.208 1.558 . . . . 0.0 115.208 176.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . 0.309 0.0 OUTLIER -55.42 67.21 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 120.069 3.359 . . . . 0.0 120.069 -164.388 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -70.08 -24.45 63.23 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 127.215 2.206 . . . . 0.0 110.908 167.355 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.42 162.63 16.87 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 128.03 2.532 . . . . 0.0 108.694 -169.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 10.9 mt -71.89 114.66 10.23 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 107.154 -1.425 . . . . 0.0 107.154 168.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.22 154.89 36.79 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 170.594 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -41.13 -57.34 2.09 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.214 1.005 . . . . 0.0 112.285 176.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.32 -29.98 66.33 Favored 'General case' 0 C--N 1.342 0.243 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 -178.35 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 0.434 ' HB3' ' HB3' ' B' ' 19' ' ' TYR . 5.8 mm-40 -69.68 -47.03 64.69 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 179.427 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 tt -62.18 -45.33 93.87 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 120.085 -0.646 . . . . 0.0 110.892 179.205 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 55.7 mmtt -52.88 -45.35 67.43 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 118.917 0.78 . . . . 0.0 110.007 176.077 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -71.44 -27.31 63.18 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -177.214 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 tt -66.9 -65.49 0.67 Allowed 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 125.897 1.679 . . . . 0.0 109.724 173.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 24.0 pt -54.92 -37.31 41.07 Favored 'Isoleucine or valine' 0 C--N 1.338 0.103 0 C-N-CA 122.969 0.508 . . . . 0.0 112.22 -168.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -66.11 -36.36 82.96 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 118.554 -0.736 . . . . 0.0 112.376 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm -93.32 -74.42 0.53 Allowed 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 115.897 1.814 . . . . 0.0 115.897 -168.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -90.72 -43.54 10.05 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 115.743 1.757 . . . . 0.0 115.743 -164.068 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -27.79 -70.18 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 118.088 2.625 . . . . 0.0 118.088 -165.429 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.4 154.24 18.66 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.598 1.159 . . . . 0.0 110.895 -168.021 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 31.2 pt 25.37 62.37 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 127.028 2.131 . . . . 0.0 114.57 172.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 51.39 39.97 45.11 Favored Glycine 0 CA--C 1.533 1.16 0 C-N-CA 124.386 0.993 . . . . 0.0 113.848 176.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 3.3 m 98.74 56.15 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 127.73 2.412 . . . . 0.0 111.811 176.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 35.12 62.13 0.58 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 127.475 2.31 . . . . 0.0 114.919 169.724 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 7.3 mp -69.85 77.4 0.46 Allowed 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 169.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 65.04 50.24 1.91 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.493 1.517 . . . . 0.0 110.814 -177.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.46 ' CG ' ' HZ3' ' B' ' 55' ' ' LYS . 25.2 t0 -70.72 166.79 20.11 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.733 0.813 . . . . 0.0 109.998 170.466 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.13 80.38 1.26 Allowed 'General case' 0 N--CA 1.442 -0.853 0 N-CA-C 106.732 -1.581 . . . . 0.0 106.732 168.119 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -43.88 -45.24 7.45 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 125.384 1.474 . . . . 0.0 109.463 171.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 32.7 pt -55.89 -36.77 45.11 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 C-N-CA 124.19 0.996 . . . . 0.0 111.824 -179.143 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 82.7 t -71.34 -32.42 46.84 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.202 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 177.286 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.46 ' HZ3' ' CG ' ' B' ' 50' ' ' ASP . 0.0 OUTLIER -65.16 -46.64 80.0 Favored 'General case' 0 C--O 1.226 -0.169 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 174.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 92.8 mt -57.08 -46.97 82.11 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 122.286 0.234 . . . . 0.0 110.927 177.003 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 16.4 tmm? -57.78 -49.68 75.78 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.659 -0.651 . . . . 0.0 110.149 175.022 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.507 ' C ' ' H ' ' B' ' 60' ' ' LEU 0.404 0.5 OUTLIER -90.38 27.77 1.61 Allowed 'General case' 0 CA--C 1.507 -0.688 0 N-CA-C 117.79 2.515 . . . . 0.0 117.79 -175.047 . . . . . . . . 4 4 . 1 . 017 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -58.8 34.75 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 130.167 3.387 . . . . 0.0 110.553 161.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.507 ' H ' ' C ' ' B' ' 58' ' ' ASP . 7.2 tt -32.2 -23.62 0.0 OUTLIER 'General case' 0 C--N 1.347 0.462 1 C-N-CA 134.644 5.177 . . . . 0.0 114.947 -172.735 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -42.2 -31.32 0.37 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.714 1.605 . . . . 0.0 110.49 164.771 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 62' ' ' ARG . . . . . 0.403 ' NH1' ' HA ' ' B' ' 58' ' ' ASP . 17.1 ptt180 -41.75 -34.38 0.62 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.562 1.945 . . . . 0.0 113.959 171.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -90.89 -101.59 0.1 Allowed 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 117.496 2.406 . . . . 0.0 117.496 -166.198 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.79 126.81 31.44 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 -163.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . 0.316 0.2 OUTLIER 67.56 -44.61 0.48 Allowed 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 130.602 3.561 . . . . 0.0 112.376 178.49 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 125.0 -16.47 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.439 1 C-N-CA 132.585 4.354 . . . . 0.0 112.03 169.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -103.06 173.71 6.19 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 166.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 2.8 t -124.19 145.73 30.85 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.171 0 C-N-CA 123.416 0.686 . . . . 0.0 109.354 -177.005 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -109.73 -154.8 0.54 Allowed 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 125.426 1.49 . . . . 0.0 108.323 175.261 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.433 ' CG ' HD23 ' A' ' 88' ' ' LEU . 60.8 t80 -76.69 -39.47 51.96 Favored 'General case' 0 C--O 1.223 -0.333 0 O-C-N 121.152 -0.967 . . . . 0.0 110.506 177.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -55.09 -56.97 13.9 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 118.382 0.537 . . . . 0.0 111.803 -172.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -61.34 -51.92 66.82 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -177.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -42.39 -62.94 0.85 Allowed 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.928 1.291 . . . . 0.0 110.77 175.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 10.9 tp -70.51 -36.1 64.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 O-C-N 121.481 -0.762 . . . . 0.0 111.071 -172.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 88.5 m -56.85 -45.76 82.2 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 119.052 0.842 . . . . 0.0 109.524 173.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -64.81 -57.14 9.67 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 126.253 1.821 . . . . 0.0 111.119 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 6.6 mp -47.15 -47.2 23.72 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 118.604 0.638 . . . . 0.0 110.188 169.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.55 -53.61 34.64 Favored Glycine 0 CA--C 1.524 0.627 0 C-N-CA 125.217 1.389 . . . . 0.0 111.03 178.185 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.41 -51.33 69.87 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.726 0.81 . . . . 0.0 110.623 178.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 90.5 mt -61.81 -41.98 98.44 Favored 'General case' 0 CA--C 1.532 0.272 0 O-C-N 121.786 -0.571 . . . . 0.0 110.543 -178.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.96 -43.59 98.54 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.501 0.72 . . . . 0.0 110.282 174.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 21.0 ttp -51.41 -34.15 33.41 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.932 0.893 . . . . 0.0 110.04 174.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 67.4 mt -74.81 -77.27 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 169.348 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . 0.28 49.9 p90 -57.43 -37.18 72.37 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 115.787 1.773 . . . . 0.0 115.787 -166.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -75.74 29.56 0.11 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.899 1.28 . . . . 0.0 112.945 175.605 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -17.86 -45.79 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 130.706 3.603 . . . . 0.0 118.56 -169.173 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -41.22 -42.05 2.0 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.661 1.184 . . . . 0.0 113.197 -177.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 2.7 pp -59.77 -27.12 66.26 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 28.3 mtmm -87.65 -56.0 3.54 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 168.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.369 0 N-CA-C 110.741 -0.944 . . . . 0.0 110.741 175.675 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.426 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 53.93 46.99 24.48 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.879 1.272 . . . . 0.0 110.877 -175.091 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.1 m -48.21 121.33 9.02 Favored Pre-proline 0 CA--C 1.536 0.426 0 CA-C-O 117.89 -1.052 . . . . 0.0 108.623 172.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -37.37 -54.09 1.22 Allowed 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 124.557 3.505 . . . . 0.0 116.513 -168.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -66.91 -43.36 83.55 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 121.471 -0.768 . . . . 0.0 110.941 -178.167 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -58.83 -47.94 83.07 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 121.526 -0.734 . . . . 0.0 109.579 175.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.5 tp60 -54.83 -39.45 68.55 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.415 0.686 . . . . 0.0 110.628 173.085 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.2 -43.4 92.25 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 119.238 0.926 . . . . 0.0 111.108 173.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 22.9 mm -61.23 -38.19 79.23 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 O-C-N 121.087 -1.008 . . . . 0.0 110.169 171.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -51.42 -47.33 51.32 Favored Glycine 0 CA--C 1.535 1.342 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 168.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.9 mp -60.16 -39.75 87.48 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-O 117.709 -1.139 . . . . 0.0 110.993 173.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.1 mp -55.27 -50.34 69.75 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 121.143 1.792 . . . . 0.0 110.096 172.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 86.1 mt -58.1 -44.47 87.45 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 O-C-N 121.996 -0.44 . . . . 0.0 110.51 178.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.14 -65.24 3.41 Favored Glycine 0 CA--C 1.534 1.256 0 O-C-N 121.741 -0.6 . . . . 0.0 111.948 176.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.5 tt -60.13 -31.31 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 125.591 1.556 . . . . 0.0 111.771 -169.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -30.04 -73.96 0.03 OUTLIER 'General case' 0 C--N 1.344 0.369 0 C-N-CA 125.494 1.518 . . . . 0.0 111.692 176.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.425 ' NE2' ' OD2' ' A' ' 25' ' ' ASP . 0.0 OUTLIER -90.4 20.03 4.79 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 126.522 1.929 . . . . 0.0 113.119 -178.614 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -43.51 65.39 Favored 'General case' 0 N--CA 1.461 0.118 0 N-CA-C 104.401 -2.444 . . . . 0.0 104.401 165.579 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -69.4 78.92 0.39 Allowed 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 169.081 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.6 m -129.06 24.18 5.62 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 126.236 1.814 . . . . 0.0 109.887 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.98 -63.66 3.81 Favored Glycine 0 C--N 1.336 0.582 0 N-CA-C 106.413 -2.675 . . . . 0.0 106.413 -169.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.415 ' NZ ' ' OE1' ' A' ' 23' ' ' GLU . 5.0 mmmp? -117.37 -120.28 0.31 Allowed 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 166.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.415 ' OE1' ' NZ ' ' A' ' 22' ' ' LYS . 13.4 mp0 -127.8 122.34 32.49 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 -170.005 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -172.83 130.24 1.86 Allowed Glycine 0 CA--C 1.523 0.573 0 N-CA-C 108.063 -2.015 . . . . 0.0 108.063 177.094 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.425 ' OD2' ' NE2' ' A' ' 17' ' ' HIS . 10.2 t70 -69.41 -72.8 0.17 Allowed 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 117.562 0.681 . . . . 0.0 110.462 -176.315 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 43.5 mmtm -68.63 76.04 0.28 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.639 1.176 . . . . 0.0 109.662 -175.277 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -153.91 124.45 7.09 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.279 1.032 . . . . 0.0 109.306 -169.022 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 p -78.1 152.27 32.96 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 125.223 1.409 . . . . 0.0 110.317 176.394 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.3 mt -83.44 71.84 10.27 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 121.545 -0.722 . . . . 0.0 109.163 -176.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.0 p -64.78 73.2 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.641 1.576 . . . . 0.0 114.153 -174.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.436 ' NZ ' ' OE2' ' A' ' 67' ' ' GLU 0.331 0.0 OUTLIER 55.6 -61.4 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 129.878 3.271 . . . . 0.0 115.58 175.612 . . . . . . . . 4 4 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.1 pttp -56.96 -41.09 77.68 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.187 -0.946 . . . . 0.0 109.974 175.412 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.6 mp0 -52.71 -51.9 58.4 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.835 -0.541 . . . . 0.0 111.215 170.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.7 mt -59.61 -44.95 93.26 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 118.358 0.526 . . . . 0.0 111.111 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.27 -51.3 45.99 Favored 'General case' 0 C--N 1.34 0.181 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 171.81 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -65.89 -32.33 73.78 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -175.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.2 tt -62.09 -77.4 0.05 OUTLIER 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 126.062 1.745 . . . . 0.0 109.546 176.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.2 pt -53.42 -0.48 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.553 1.081 0 N-CA-C 116.865 2.172 . . . . 0.0 116.865 -166.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.408 ' C ' ' H ' ' A' ' 41' ' ' GLU . 19.0 mm-40 -90.57 -59.85 2.07 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 120.763 1.619 . . . . 0.0 108.199 168.657 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.2 mttp -78.5 32.19 0.19 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 129.847 3.259 . . . . 0.0 107.558 169.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.408 ' H ' ' C ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -27.88 -108.12 0.0 OUTLIER 'General case' 0 N--CA 1.425 -1.712 1 C-N-CA 131.711 4.005 . . . . 0.0 118.915 -158.553 . . . . . . . . 4 4 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . 0.376 7.6 mt -98.41 -97.03 0.22 Allowed 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 113.928 -1.487 . . . . 0.0 114.129 -162.378 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.0 m -157.37 156.35 32.13 Favored 'General case' 0 N--CA 1.463 0.198 0 O-C-N 121.068 -1.02 . . . . 0.0 110.304 -177.327 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.1 pt -79.86 59.91 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 124.069 0.948 . . . . 0.0 110.193 169.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -57.22 -41.23 92.74 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 109.731 -1.347 . . . . 0.0 109.731 170.133 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.0 p -156.23 -59.58 0.1 Allowed 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 125.34 1.456 . . . . 0.0 107.108 171.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt 62.82 34.58 14.35 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 126.082 1.753 . . . . 0.0 113.227 173.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.2 mp -67.01 -34.74 78.4 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 165.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -164.54 -41.09 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.506 1.522 . . . . 0.0 110.188 172.34 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . 0.375 1.7 p30 67.08 -129.74 0.16 Allowed 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 107.0 -1.481 . . . . 0.0 107.0 -165.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -145.95 105.25 3.93 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 120.231 1.378 . . . . 0.0 107.991 170.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.2 mp0 -42.22 -51.22 4.79 Favored 'General case' 0 C--O 1.226 -0.147 0 C-N-CA 125.806 1.642 . . . . 0.0 110.703 178.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 38.8 mm -51.7 -48.69 37.16 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 123.434 0.693 . . . . 0.0 110.298 177.549 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 49.6 t -67.04 -53.63 31.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -176.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.7 pttm -62.42 -31.69 72.43 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 118.671 0.669 . . . . 0.0 111.887 -177.011 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 63.2 tp -65.09 -50.29 66.67 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.849 -0.532 . . . . 0.0 109.992 171.087 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.5 tpt -58.43 -47.92 82.38 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 122.966 0.506 . . . . 0.0 110.346 -177.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -42.91 -43.27 4.03 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 125.718 1.607 . . . . 0.0 111.875 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -62.55 3.85 0.18 Allowed 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -178.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 pp -84.36 -32.69 24.1 Favored 'General case' 0 CA--C 1.528 0.116 0 O-C-N 119.889 -1.757 . . . . 0.0 109.943 169.192 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -49.44 -37.85 27.25 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 125.083 1.353 . . . . 0.0 111.365 -170.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 31.3 ptt85 -53.38 -19.9 3.93 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 178.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -29.96 -49.74 0.11 Allowed 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 126.906 2.082 . . . . 0.0 115.603 -174.108 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.03 103.16 1.11 Allowed 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 -176.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.299 3.3 p30 68.18 -36.44 0.31 Allowed 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 128.535 2.734 . . . . 0.0 115.41 173.054 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 67.61 20.67 9.59 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.986 1.714 . . . . 0.0 112.901 -177.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.436 ' OE2' ' NZ ' ' A' ' 31' ' ' LYS . 26.4 mm-40 -107.79 42.87 1.27 Allowed 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 105.972 -1.862 . . . . 0.0 105.972 167.429 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.4 m -62.46 158.16 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -167.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -115.48 -159.5 0.71 Allowed 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 124.982 1.313 . . . . 0.0 108.224 175.484 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -64.31 -31.92 73.31 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 118.886 -0.578 . . . . 0.0 111.437 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . 0.251 0.0 OUTLIER -62.65 -52.97 61.23 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 119.628 1.104 . . . . 0.0 113.582 -172.102 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.0 mp0 -60.54 -57.22 13.66 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 122.375 1.083 . . . . 0.0 108.632 -178.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -38.63 -60.39 0.82 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 126.049 1.74 . . . . 0.0 111.262 173.168 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 7.3 tp -72.87 -23.25 20.33 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.203 0 CA-C-O 118.634 -0.698 . . . . 0.0 112.025 -175.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 88.3 m -59.34 -56.31 23.7 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 119.884 1.22 . . . . 0.0 109.582 171.187 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -68.98 -46.12 68.89 Favored 'General case' 0 N--CA 1.458 -0.071 0 C-N-CA 120.359 -0.536 . . . . 0.0 111.743 -178.093 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.5 mt -56.69 -34.11 67.1 Favored 'General case' 0 C--O 1.224 -0.252 0 O-C-N 121.293 -0.879 . . . . 0.0 110.983 173.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.61 -47.56 82.43 Favored Glycine 0 CA--C 1.525 0.719 0 C-N-CA 124.167 0.889 . . . . 0.0 111.4 174.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.62 -49.52 64.95 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 117.699 0.749 . . . . 0.0 109.717 172.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 25.3 tp -64.05 -37.14 86.35 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 122.932 0.493 . . . . 0.0 111.57 179.126 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -48.33 -50.9 28.5 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 126.219 1.808 . . . . 0.0 112.302 -172.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 89.6 mtp -47.83 -34.0 8.12 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 125.658 1.849 . . . . 0.0 111.404 176.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 27.7 mm -90.96 -64.22 1.23 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 C-N-CA 124.488 1.115 . . . . 0.0 110.61 179.2 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . 0.272 0.2 OUTLIER -78.67 -44.49 23.57 Favored 'General case' 0 C--N 1.341 0.235 0 N-CA-C 115.704 1.742 . . . . 0.0 115.704 -166.928 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . 0.286 0.4 OUTLIER -92.12 -43.68 9.24 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 120.277 1.399 . . . . 0.0 113.323 -171.921 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -158.22 147.99 19.82 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 123.182 0.593 . . . . 0.0 110.038 -174.165 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -80.28 51.47 1.42 Allowed 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 105.764 -1.939 . . . . 0.0 105.764 162.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 79.7 mt 30.93 71.2 0.08 Allowed 'General case' 0 C--N 1.343 0.293 0 C-N-CA 129.282 3.033 . . . . 0.0 112.085 -169.525 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.67 ' O ' ' OXT' ' A' ' 90' ' ' GLY . 55.1 mmtt 63.43 -63.74 0.13 Allowed 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 127.969 2.508 . . . . 0.0 111.586 -169.756 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.67 ' OXT' ' O ' ' A' ' 89' ' ' LYS . . . . . . . . 0 C--O 1.269 2.309 0 C-N-CA 124.286 0.946 . . . . 0.0 111.063 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 72.2 mtm . . . . . 0 CA--C 1.53 0.192 0 CA-C-O 120.651 0.262 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -156.67 172.64 18.24 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 106.825 -1.546 . . . . 0.0 106.825 175.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 5.4 m -48.32 138.31 11.17 Favored Pre-proline 0 CA--C 1.538 0.499 0 C-N-CA 125.205 1.402 . . . . 0.0 110.581 178.276 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_exo -43.11 -58.49 1.33 Allowed 'Trans proline' 0 CA--C 1.534 0.499 0 C-N-CA 123.842 3.028 . . . . 0.0 115.325 -172.126 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 7.8 tt -59.81 -58.04 10.28 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 -176.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -49.2 -48.44 45.28 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 125.776 1.63 . . . . 0.0 110.281 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -61.19 -49.97 75.03 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.259 1.024 . . . . 0.0 110.324 178.048 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.18 -56.79 17.23 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 122.876 0.47 . . . . 0.0 110.581 -178.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 28.8 mm -62.13 -40.7 88.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 O-C-N 121.628 -0.67 . . . . 0.0 109.926 178.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.64 -44.07 16.45 Favored Glycine 0 CA--C 1.524 0.637 0 C-N-CA 125.568 1.556 . . . . 0.0 111.64 170.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.23 -62.66 1.52 Allowed 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 118.783 1.292 . . . . 0.0 108.651 175.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -54.65 -61.21 2.46 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.101 0.41 . . . . 0.0 111.15 -174.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 18.4 mt -69.59 -41.64 80.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 122.785 0.434 . . . . 0.0 110.77 -173.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.09 -63.23 3.93 Favored Glycine 0 CA--C 1.522 0.476 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -177.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 4.9 tp -54.68 -35.53 32.99 Favored 'Isoleucine or valine' 0 C--N 1.341 0.224 0 CA-C-O 119.083 -0.484 . . . . 0.0 110.636 -169.658 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -30.3 -69.92 0.06 Allowed 'General case' 0 C--N 1.343 0.311 0 C-N-CA 125.676 1.59 . . . . 0.0 112.129 175.053 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' HIS . . . . . 0.436 ' HA ' HD11 ' B' ' 29' ' ' LEU . 0.1 OUTLIER -92.07 0.79 57.47 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 -179.831 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.13 -42.9 70.02 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 120.23 1.377 . . . . 0.0 110.598 -178.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -70.54 -4.63 23.97 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -178.221 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 68.2 m -78.98 -6.81 57.22 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 118.854 0.752 . . . . 0.0 110.378 166.246 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.48 -68.27 2.98 Favored Glycine 0 C--N 1.34 0.803 0 N-CA-C 108.127 -1.989 . . . . 0.0 108.127 -175.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 7.3 ptmm? -94.25 116.93 29.39 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 128.177 2.591 . . . . 0.0 107.36 174.064 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.402 ' OE1' ' ND1' ' B' ' 17' ' ' HIS . 17.7 mt-10 -98.09 -23.24 15.82 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 124.749 1.22 . . . . 0.0 113.627 -168.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.12 -53.38 34.5 Favored Glycine 0 CA--C 1.526 0.753 0 C-N-CA 124.155 0.883 . . . . 0.0 112.65 -169.285 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 27.8 p-10 -89.97 -49.53 6.54 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 124.823 1.249 . . . . 0.0 110.943 -174.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -69.01 79.41 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 122.397 1.094 . . . . 0.0 111.671 -176.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -77.69 2.56 16.44 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.108 1.363 . . . . 0.0 111.058 168.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 21.8 p -137.28 150.17 47.61 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 125.344 1.457 . . . . 0.0 108.903 177.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.436 HD11 ' HA ' ' B' ' 17' ' ' HIS . 10.4 mp -113.92 113.51 24.95 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 124.749 1.219 . . . . 0.0 107.731 179.404 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 40.8 p -79.75 58.21 2.74 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.432 1.093 . . . . 0.0 110.69 -177.517 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . 0.334 4.2 ptpp? 59.1 -42.87 0.07 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 130.045 3.338 . . . . 0.0 117.386 174.605 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -60.2 -45.12 94.24 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 120.541 -1.349 . . . . 0.0 109.796 178.271 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -57.92 -48.29 80.34 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 124.941 1.296 . . . . 0.0 109.445 175.68 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 13.1 tp -55.22 -51.83 65.3 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 176.191 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.84 -37.92 45.93 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 122.975 0.51 . . . . 0.0 110.284 178.402 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -73.48 -40.71 63.91 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 177.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.6 tt -57.68 -67.78 0.3 Allowed 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 126.246 1.818 . . . . 0.0 110.822 178.353 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' ILE . . . . . 0.548 ' HA ' ' HB3' ' B' ' 41' ' ' GLU . 26.7 pt -57.78 6.52 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.553 1.072 0 C-N-CA 126.744 2.017 . . . . 0.0 116.406 -167.269 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -92.81 -68.6 0.79 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 127.555 2.342 . . . . 0.0 111.93 169.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.14 33.61 0.96 Allowed 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 129.961 3.304 . . . . 0.0 109.106 178.387 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.548 ' HB3' ' HA ' ' B' ' 38' ' ' ILE . 0.1 OUTLIER -69.82 -111.42 0.0 OUTLIER 'General case' 0 N--CA 1.435 -1.212 1 N-CA-C 122.757 4.354 . . . . 0.0 122.757 -160.351 . . . . . . . . 4 4 . 1 . 018 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 47.4 mt -101.26 -60.36 1.54 Allowed 'General case' 0 N--CA 1.445 -0.725 0 C-N-CA 127.445 2.298 . . . . 0.0 114.09 -164.395 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 18.9 p -52.62 71.62 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 129.254 3.022 . . . . 0.0 116.467 -166.056 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 17.9 pt -76.7 53.78 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-O 122.683 1.23 . . . . 0.0 110.242 167.549 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -76.91 62.07 3.3 Favored Glycine 0 CA--C 1.524 0.604 0 C-N-CA 125.793 1.663 . . . . 0.0 111.858 -172.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 15.7 m 47.64 43.51 16.47 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.594 1.158 . . . . 0.0 112.892 169.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 57.89 26.44 13.32 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.217 1.007 . . . . 0.0 113.533 179.411 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 62.4 tp -60.88 123.74 18.43 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 169.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 -82.69 58.59 4.32 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.858 0.863 . . . . 0.0 109.895 179.101 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -123.78 161.38 25.34 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 125.291 1.436 . . . . 0.0 107.356 168.376 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -147.45 -53.99 0.22 Allowed 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 106.584 -1.636 . . . . 0.0 106.584 169.125 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -45.07 -58.22 3.35 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 124.965 1.306 . . . . 0.0 112.305 177.077 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 1.7 mp -67.95 -52.81 35.43 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 CA-C-N 119.038 0.835 . . . . 0.0 109.481 -169.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 4.8 m -54.8 -46.76 74.99 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 O-C-N 121.789 -0.569 . . . . 0.0 111.257 177.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -50.44 73.5 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.215 0.461 . . . . 0.0 110.339 179.133 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 50.3 mt -56.84 -40.24 75.71 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 122.185 -0.322 . . . . 0.0 110.97 179.109 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 47.2 ttm -63.89 -63.25 1.21 Allowed 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 174.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -40.74 -49.45 3.09 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 127.079 2.152 . . . . 0.0 111.918 -178.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -56.01 -23.76 34.9 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 113.515 0.931 . . . . 0.0 113.515 -175.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 pp -60.0 -35.25 74.65 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 120.21 -1.556 . . . . 0.0 112.816 -176.417 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.4 ' OD1' ' NZ ' ' B' ' 64' ' ' LYS . 11.5 t70 -85.59 -5.11 59.31 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.495 0.665 . . . . 0.0 110.638 178.535 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.91 22.07 0.05 Allowed 'General case' 0 CA--C 1.538 0.498 0 O-C-N 119.834 -1.791 . . . . 0.0 113.323 -171.065 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 26.5 t30 -31.33 -77.54 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.527 1.531 . . . . 0.0 111.653 169.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 64' ' ' LYS . . . . . 0.4 ' NZ ' ' OD1' ' B' ' 61' ' ' ASP . 0.0 OUTLIER 39.63 44.79 1.29 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.658 1.183 . . . . 0.0 113.191 172.736 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -71.98 -49.88 33.55 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 106.005 -1.85 . . . . 0.0 106.005 168.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -56.37 149.09 17.35 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 168.206 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -61.24 133.19 55.66 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 172.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 12.2 t -69.79 143.12 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 CA-C-O 122.055 0.931 . . . . 0.0 110.738 -166.49 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -148.18 155.53 41.5 Favored 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 127.716 2.407 . . . . 0.0 105.15 -169.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -56.53 -33.09 65.74 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 123.277 0.361 . . . . 0.0 111.156 -172.296 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.34 -61.29 2.5 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 118.786 -0.626 . . . . 0.0 111.425 176.052 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -70.48 -33.45 71.27 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 118.879 -1.128 . . . . 0.0 110.301 -176.143 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -57.51 -54.18 49.75 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.299 0.639 . . . . 0.0 111.959 176.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 8.3 tp -68.11 -24.29 29.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -167.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 23.5 m -49.03 -54.31 16.35 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 119.623 1.102 . . . . 0.0 112.617 -176.274 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -62.07 -50.39 72.17 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 120.006 -0.678 . . . . 0.0 110.661 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 31.0 mt -51.13 -35.61 36.45 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.691 0.796 . . . . 0.0 111.699 177.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -61.25 -47.92 88.36 Favored Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 111.5 -0.64 . . . . 0.0 111.5 176.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.35 -53.62 49.75 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 174.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 21.0 tp -52.01 -41.13 61.98 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.47 1.108 . . . . 0.0 111.465 -176.196 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -48.77 -43.79 38.15 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 125.231 1.412 . . . . 0.0 112.025 177.21 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 80.1 mtp -65.7 -18.17 65.14 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.123 0.569 . . . . 0.0 111.194 -179.247 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 36.0 mt -92.51 -67.68 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 C-N-CA 124.254 1.022 . . . . 0.0 110.64 170.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -90.84 -17.78 25.97 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 118.151 2.649 . . . . 0.0 118.151 -165.741 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -88.76 -102.43 0.09 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 120.881 1.673 . . . . 0.0 109.506 -169.426 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -84.56 -13.26 52.27 Favored 'General case' 0 N--CA 1.452 -0.331 0 O-C-N 121.573 -0.705 . . . . 0.0 110.635 168.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . 55.51 33.01 20.16 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -163.63 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 67.3 mt 56.28 92.63 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 126.605 1.962 . . . . 0.0 110.114 -169.224 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 89' ' ' LYS . . . . . 0.848 ' O ' ' OXT' ' B' ' 90' ' ' GLY . 0.0 OUTLIER 52.17 30.9 8.29 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.445 1.098 . . . . 0.0 113.088 172.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 90' ' ' GLY . . . . . 0.848 ' OXT' ' O ' ' B' ' 89' ' ' LYS . . . . . . . . 0 C--O 1.269 2.331 0 O-C-N 121.178 -0.951 . . . . 0.0 111.344 -175.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.2 ttt . . . . . 0 CA--C 1.536 0.423 0 CA-C-O 118.998 -0.525 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 166.61 0.33 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.443 1.897 . . . . 0.0 113.078 -172.256 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.9 m -70.24 166.08 37.72 Favored Pre-proline 0 CA--C 1.536 0.435 0 O-C-N 121.032 -1.042 . . . . 0.0 109.949 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -44.2 -40.84 12.87 Favored 'Trans proline' 0 CA--C 1.534 0.523 0 C-N-CA 123.497 2.798 . . . . 0.0 113.221 172.622 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 55.9 tp -49.82 -57.31 7.64 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.991 0.917 . . . . 0.0 111.269 171.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -60.52 -50.41 73.67 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 123.62 0.768 . . . . 0.0 109.084 -179.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -51.33 -41.31 60.47 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.735 0.814 . . . . 0.0 110.469 179.343 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.06 -11.37 60.92 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.1 mt -91.45 -52.49 10.15 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 167.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -41.59 -46.31 4.65 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 125.453 1.501 . . . . 0.0 111.999 175.374 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 65.6 tp -42.39 -50.48 5.11 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 125.203 1.401 . . . . 0.0 110.977 175.401 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.89 -27.38 66.61 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 118.59 -0.719 . . . . 0.0 111.446 -176.026 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.6 mt -70.46 -44.47 77.14 Favored 'Isoleucine or valine' 0 C--N 1.34 0.187 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 169.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.39 -52.49 23.47 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 110.3 -1.12 . . . . 0.0 110.3 174.082 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.1 mm -58.8 -63.42 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-O 118.373 -0.822 . . . . 0.0 109.845 176.106 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -32.35 -68.36 0.1 Allowed 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 125.643 1.577 . . . . 0.0 109.693 174.444 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . 0.273 0.1 OUTLIER -88.93 10.89 19.74 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -171.245 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.9 ttmt -62.67 -43.82 97.83 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 104.606 -2.368 . . . . 0.0 104.606 163.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.456 ' CZ ' ' HA ' ' A' ' 37' ' ' LEU . 63.4 m-85 -75.74 73.02 2.7 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 124.976 1.311 . . . . 0.0 109.464 177.653 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 39.7 m -121.08 34.15 5.31 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.692 1.197 . . . . 0.0 109.557 170.129 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.84 50.06 3.81 Favored Glycine 0 CA--C 1.528 0.9 0 N-CA-C 111.487 -0.645 . . . . 0.0 111.487 -175.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -157.57 -86.0 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 104.323 -2.473 . . . . 0.0 104.323 173.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.48 -60.84 1.45 Allowed 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 126.323 1.849 . . . . 0.0 107.822 167.411 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.37 -56.89 1.18 Allowed Glycine 0 CA--C 1.532 1.131 0 C-N-CA 125.56 1.552 . . . . 0.0 112.652 179.605 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.441 ' CG ' ' H ' ' A' ' 26' ' ' LYS . 34.6 t70 48.18 -129.93 1.74 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.32 1.448 . . . . 0.0 108.772 -178.189 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.441 ' H ' ' CG ' ' A' ' 25' ' ' ASP . 1.2 ptpp? -114.7 27.8 9.18 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 124.265 1.026 . . . . 0.0 108.293 169.584 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -86.87 -156.64 0.33 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 121.538 -0.726 . . . . 0.0 109.308 178.772 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.4 p -68.63 -168.65 0.13 Allowed 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 127.88 2.472 . . . . 0.0 109.853 174.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 92.3 mt -116.03 115.5 26.23 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 104.827 -2.286 . . . . 0.0 104.827 167.539 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.6 172.27 8.88 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 177.694 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -44.91 -52.94 8.15 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.18 0.592 . . . . 0.0 111.264 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -56.89 -57.35 12.89 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 119.193 -0.432 . . . . 0.0 110.228 -177.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -49.7 -42.33 45.5 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 119.101 -0.476 . . . . 0.0 111.648 174.363 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -65.99 -47.41 74.6 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 119.079 0.854 . . . . 0.0 110.213 -177.605 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -58.73 -44.47 90.46 Favored 'General case' 0 CA--C 1.529 0.15 0 O-C-N 120.976 -1.078 . . . . 0.0 109.338 176.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -54.72 -41.97 70.98 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 122.825 0.45 . . . . 0.0 111.141 176.049 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.456 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 6.2 tt -54.7 -27.62 41.86 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 125.833 1.653 . . . . 0.0 113.177 176.61 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.3 tt -63.9 -16.35 18.48 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 175.182 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -41.68 -85.96 0.0 OUTLIER 'General case' 0 C--N 1.345 0.38 0 C-N-CA 126.504 1.922 . . . . 0.0 111.825 176.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.7 tptp -95.18 -66.38 0.92 Allowed 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 114.781 1.4 . . . . 0.0 114.781 -167.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 48.4 mp0 -68.43 -18.82 64.52 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 -163.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.76 -16.96 59.33 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 118.425 -0.797 . . . . 0.0 111.738 171.304 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.7 m 38.73 44.95 0.86 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.84 1.656 . . . . 0.0 111.887 171.527 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.1 pp -79.46 -23.2 12.29 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -168.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.54 -70.62 0.37 Allowed Glycine 0 CA--C 1.531 1.066 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 -172.379 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.8 m -156.86 66.26 0.53 Allowed 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 126.302 1.841 . . . . 0.0 106.736 172.465 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 45.8 mttm 41.11 47.8 2.85 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.784 1.634 . . . . 0.0 110.978 -171.355 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 54.5 tp 61.15 -68.95 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 126.092 1.757 . . . . 0.0 111.047 -169.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.95 82.5 1.87 Allowed 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 125.545 1.538 . . . . 0.0 107.525 174.273 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -47.4 148.34 1.37 Allowed 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 122.082 0.944 . . . . 0.0 112.598 177.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -171.25 149.95 2.88 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 130.639 3.576 . . . . 0.0 104.11 176.424 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -55.6 -41.91 74.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 119.623 1.102 . . . . 0.0 110.027 -173.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.0 mp -52.97 -48.34 52.04 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 123.874 0.87 . . . . 0.0 109.753 171.069 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 75.6 t -66.92 -36.49 77.3 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -177.221 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.8 mtmm -58.92 -58.62 7.84 Favored 'General case' 0 C--N 1.34 0.157 0 CA-C-N 118.749 0.704 . . . . 0.0 109.834 172.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.5 mp -49.23 -46.61 46.18 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 122.875 0.47 . . . . 0.0 110.863 179.164 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 57.2 mtt -58.0 -68.58 0.23 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 119.003 -0.522 . . . . 0.0 111.171 175.175 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.49 ' C ' ' H ' ' A' ' 60' ' ' LEU . 12.1 t70 -71.17 -16.8 62.55 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 -168.11 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.34 32.66 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 163.213 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.49 ' H ' ' C ' ' A' ' 58' ' ' ASP . 45.7 tp -52.02 -26.15 10.12 Favored 'General case' 0 C--N 1.344 0.335 0 C-N-CA 129.022 2.929 . . . . 0.0 112.686 -169.642 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -45.58 -30.43 1.48 Allowed 'General case' 0 C--O 1.236 0.375 0 C-N-CA 124.508 1.123 . . . . 0.0 110.998 167.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.2 ttp85 -33.51 -38.02 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.523 1.929 . . . . 0.0 112.891 167.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -38.71 -40.62 0.62 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.677 1.591 . . . . 0.0 114.503 -179.064 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -127.06 44.77 2.84 Favored 'General case' 0 CA--C 1.529 0.136 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.2 t0 40.92 55.33 3.11 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 125.219 1.408 . . . . 0.0 112.579 -170.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 74.35 -24.68 0.21 Allowed 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 116.554 2.057 . . . . 0.0 116.554 163.093 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.72 114.76 5.24 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 167.657 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 t -122.23 143.91 33.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 C-N-CA 124.433 1.093 . . . . 0.0 113.346 -167.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -106.25 175.07 5.62 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.452 1.501 . . . . 0.0 110.774 168.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -50.0 -52.24 35.49 Favored 'General case' 0 C--N 1.344 0.329 0 C-N-CA 122.791 0.436 . . . . 0.0 110.769 -178.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.1 tm0? -55.72 -52.1 65.07 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 -173.353 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -57.76 -56.0 27.6 Favored 'General case' 0 C--O 1.233 0.195 0 O-C-N 122.074 -0.391 . . . . 0.0 111.521 177.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -44.5 -57.83 3.35 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 123.994 0.918 . . . . 0.0 109.255 178.203 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.5 tp -75.03 -24.93 18.08 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.998 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.569 -170.139 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 93.7 m -63.71 -44.17 94.41 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 119.609 1.095 . . . . 0.0 109.403 169.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.18 -49.9 75.43 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 119.115 -0.469 . . . . 0.0 110.603 178.14 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.8 mp -56.31 -51.6 67.62 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 119.845 -0.742 . . . . 0.0 109.656 168.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -40.23 -51.49 3.58 Favored Glycine 0 C--N 1.336 0.528 0 C-N-CA 128.055 2.741 . . . . 0.0 112.851 -178.502 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.84 -37.36 68.6 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 117.477 0.638 . . . . 0.0 112.015 -177.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 73.7 mt -90.81 -25.02 20.13 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.806 0.842 . . . . 0.0 111.724 179.062 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -37.18 -59.3 0.74 Allowed 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 126.757 2.023 . . . . 0.0 114.688 -167.422 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 2.6 mtp -67.21 -14.61 63.07 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 119.913 -0.715 . . . . 0.0 112.783 -172.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 42.7 mm -91.33 -67.81 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 C-N-CA 124.399 1.08 . . . . 0.0 109.803 169.429 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.409 ' O ' ' CG ' ' A' ' 84' ' ' TYR 0.27 0.0 OUTLIER -78.32 30.89 0.18 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.088 1.755 . . . . 0.0 114.211 -168.876 . . . . . . . . 4 4 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -20.09 -4.32 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.752 2 N-CA-C 125.31 5.3 . . . . 0.0 125.31 -160.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -72.58 72.18 1.0 Allowed 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 123.43 2.832 . . . . 0.0 106.367 164.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -172.86 -29.84 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 127.518 2.327 . . . . 0.0 109.159 -168.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.431 ' HA ' ' CZ ' ' B' ' 70' ' ' PHE . 9.8 mp -47.62 -17.98 0.12 Allowed 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 125.226 1.41 . . . . 0.0 113.419 168.432 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.0 55.0 1.18 Allowed 'General case' 0 CA--C 1.529 0.148 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 167.423 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.269 2.325 0 N-CA-C 111.855 -0.498 . . . . 0.0 111.855 169.957 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 84.9 mtp . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -160.47 152.6 20.32 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 106.093 -1.817 . . . . 0.0 106.093 176.473 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 42.8 m -94.35 152.98 40.55 Favored Pre-proline 0 CA--C 1.535 0.369 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 173.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_exo -47.47 -57.69 2.17 Favored 'Trans proline' 0 CA--C 1.536 0.613 0 C-N-CA 122.871 2.381 . . . . 0.0 114.458 -173.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 61.3 tp -59.35 -50.06 75.42 Favored 'General case' 0 C--O 1.225 -0.193 0 C-N-CA 122.575 0.35 . . . . 0.0 110.429 -178.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.56 -55.71 12.5 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.177 1.791 . . . . 0.0 110.997 175.552 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.23 -51.62 66.0 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.476 0.711 . . . . 0.0 109.525 178.078 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.9 -42.92 98.97 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.886 -0.509 . . . . 0.0 112.312 -178.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 5.1 mm -51.43 -51.71 23.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 171.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.71 -55.35 9.72 Favored Glycine 0 CA--C 1.529 0.957 0 C-N-CA 123.852 0.739 . . . . 0.0 111.561 170.608 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 85.7 mt -55.84 -44.8 78.33 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.324 1.062 . . . . 0.0 112.52 -177.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.32 -31.02 63.75 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 119.781 1.173 . . . . 0.0 112.228 -169.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 4.3 tt -77.51 -37.82 25.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 118.862 0.755 . . . . 0.0 109.702 168.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -44.15 -66.13 1.43 Allowed Glycine 0 CA--C 1.528 0.847 0 C-N-CA 125.661 1.6 . . . . 0.0 111.183 173.325 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 87.2 mt -54.06 -63.3 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 125.602 1.561 . . . . 0.0 109.16 178.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.504 ' CE1' ' CE1' ' B' ' 17' ' ' HIS . 15.4 t80 -29.79 -53.79 0.15 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.654 1.982 . . . . 0.0 113.188 172.188 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 17' ' ' HIS . . . . . 0.504 ' CE1' ' CE1' ' B' ' 16' ' ' PHE . 1.3 m-70 -84.3 -47.2 11.0 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 119.716 1.144 . . . . 0.0 113.56 178.332 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -52.96 -30.23 33.56 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 124.757 1.223 . . . . 0.0 112.041 -179.049 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -60.26 -32.87 71.57 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 118.125 -0.94 . . . . 0.0 111.706 177.003 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' SER . . . . . 0.425 ' HB3' ' H ' ' B' ' 25' ' ' ASP . 72.1 m -79.55 22.27 0.46 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.744 0.818 . . . . 0.0 112.576 170.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.48 -34.26 84.79 Favored Glycine 0 CA--C 1.532 1.154 0 N-CA-C 110.176 -1.17 . . . . 0.0 110.176 168.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.472 ' H ' ' HD3' ' B' ' 22' ' ' LYS . 0.0 OUTLIER -89.88 147.31 23.83 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 104.787 -2.301 . . . . 0.0 104.787 167.928 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 74.7 -47.63 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 126.702 2.001 . . . . 0.0 110.472 -166.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.17 67.95 0.95 Allowed Glycine 0 CA--C 1.523 0.548 0 C-N-CA 123.777 0.703 . . . . 0.0 111.488 169.126 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' ASP . . . . . 0.425 ' H ' ' HB3' ' B' ' 20' ' ' SER 0.615 3.2 t70 -105.57 -170.66 1.78 Allowed 'General case' 0 C--N 1.341 0.237 0 N-CA-C 115.499 1.666 . . . . 0.0 115.499 169.893 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 1.3 ptpp? -174.46 -36.6 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 124.178 0.991 . . . . 0.0 111.007 -160.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 14.2 p80 -104.65 -21.25 13.43 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.927 0.891 . . . . 0.0 111.1 -177.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -131.38 -177.23 4.31 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 126.339 1.855 . . . . 0.0 110.257 -178.623 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -116.43 124.44 50.01 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 106.118 -1.808 . . . . 0.0 106.118 169.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 69.4 m -80.61 70.27 7.29 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 124.891 1.276 . . . . 0.0 114.346 -166.264 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.419 ' HG2' ' H ' ' B' ' 32' ' ' LYS 0.261 0.0 OUTLIER 27.62 -68.97 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 129.119 2.968 . . . . 0.0 116.87 168.445 . . . . . . . . 4 4 . 1 . 019 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.419 ' H ' ' HG2' ' B' ' 31' ' ' LYS . 3.7 ttpm? -50.51 -43.42 55.78 Favored 'General case' 0 N--CA 1.455 -0.189 0 O-C-N 120.784 -1.198 . . . . 0.0 110.15 174.274 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -66.29 -26.47 67.34 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 122.018 -0.426 . . . . 0.0 111.731 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.534 HD11 ' CE2' ' B' ' 76' ' ' PHE . 2.3 tm? -56.91 -35.56 69.15 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 171.486 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 46.2 mttm -68.0 -22.77 64.98 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 122.797 0.439 . . . . 0.0 111.437 179.184 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -76.1 -57.96 3.56 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 169.019 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -47.14 -49.09 22.9 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 127.226 2.21 . . . . 0.0 110.868 -173.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 3.2 tt -59.43 -51.97 66.4 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.15 0 C-N-CA 123.444 0.698 . . . . 0.0 111.29 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -65.02 -41.88 94.89 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -174.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -90.9 -97.64 0.11 Allowed 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 123.04 0.536 . . . . 0.0 111.738 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 27.7 mp0 -47.41 -41.91 21.05 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 126.446 1.899 . . . . 0.0 114.464 -167.15 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 21.0 mt -69.9 28.05 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 116.0 1.852 . . . . 0.0 116.0 -174.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 2.2 m 89.18 -19.56 0.18 Allowed 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 124.438 1.095 . . . . 0.0 112.401 169.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 18.3 mt -58.85 -44.06 89.72 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 168.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.94 -58.12 3.1 Favored Glycine 0 C--N 1.343 0.93 0 C-N-CA 123.919 0.771 . . . . 0.0 111.537 177.414 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 41.3 p -166.38 -62.1 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 105.824 -1.917 . . . . 0.0 105.824 172.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 75.03 -56.63 0.62 Allowed 'General case' 0 C--O 1.231 0.109 0 C-N-CA 128.836 2.854 . . . . 0.0 110.049 170.4 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 3.1 mp 58.45 109.87 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 127.146 2.178 . . . . 0.0 111.011 -179.548 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 68.43 78.32 0.23 Allowed 'General case' 0 C--O 1.236 0.354 0 C-N-CA 123.728 0.811 . . . . 0.0 108.897 -170.635 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.99 -96.62 0.25 Allowed 'General case' 0 N--CA 1.461 0.094 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 169.271 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -138.03 75.99 1.55 Allowed 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 104.297 -2.483 . . . . 0.0 104.297 171.224 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -49.54 -37.98 29.12 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.872 1.269 . . . . 0.0 111.253 -174.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 40.4 mm -54.31 -47.49 68.87 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 123.022 0.529 . . . . 0.0 110.703 173.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 60.3 t -71.32 -49.36 48.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 -178.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -51.88 -41.5 61.96 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.969 -0.457 . . . . 0.0 111.165 178.178 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 57.3 tp -64.78 -24.92 67.7 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.406 1.082 . . . . 0.0 112.152 178.172 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 71.4 mtp -87.4 -59.92 2.12 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.879 1.271 . . . . 0.0 109.96 177.369 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.533 ' C ' ' H ' ' B' ' 60' ' ' LEU . 2.5 m-20 -70.61 15.14 0.1 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 126.993 2.117 . . . . 0.0 115.687 -172.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -66.55 29.68 0.02 OUTLIER 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 129.028 2.931 . . . . 0.0 109.274 162.118 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.533 ' H ' ' C ' ' B' ' 58' ' ' ASP . 46.6 tp -47.38 -18.68 0.12 Allowed 'General case' 0 C--N 1.345 0.395 1 C-N-CA 133.245 4.618 . . . . 0.0 113.658 -168.052 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -46.8 -28.1 1.43 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 121.201 0.524 . . . . 0.0 111.066 167.608 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -62.29 5.15 0.11 Allowed 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 115.637 1.717 . . . . 0.0 115.637 173.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -62.99 25.28 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 116.467 2.025 . . . . 0.0 116.467 -172.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 73.67 -60.2 0.54 Allowed 'General case' 0 C--O 1.234 0.245 0 C-N-CA 126.673 1.989 . . . . 0.0 110.641 -177.696 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -78.47 59.9 2.5 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 125.474 1.509 . . . . 0.0 108.781 178.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -66.52 -175.02 0.34 Allowed 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 126.886 2.074 . . . . 0.0 111.172 178.45 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 62.06 55.67 2.45 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 104.689 -2.337 . . . . 0.0 104.689 -167.178 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 11.7 m -59.8 143.07 14.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-N 114.672 -1.149 . . . . 0.0 113.855 -166.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -88.27 166.67 14.16 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.436 1.094 . . . . 0.0 109.492 171.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.431 ' CZ ' ' HA ' ' A' ' 88' ' ' LEU . 3.8 t80 -47.68 -38.17 14.5 Favored 'General case' 0 C--O 1.222 -0.358 0 C-N-CA 123.627 0.771 . . . . 0.0 111.217 171.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -44.71 -57.26 3.8 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.614 0.765 . . . . 0.0 111.127 169.411 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.31 -47.09 68.51 Favored 'General case' 0 CA--C 1.531 0.212 0 O-C-N 120.874 -1.141 . . . . 0.0 109.529 -175.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -47.02 -52.78 14.04 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.757 0.823 . . . . 0.0 111.318 176.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 10.4 tp -71.32 -40.98 74.12 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 O-C-N 122.231 -0.293 . . . . 0.0 110.68 -171.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 34.3 p -66.59 -46.91 74.41 Favored 'General case' 0 CA--C 1.51 -0.568 0 O-C-N 121.517 -0.739 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.534 ' CE2' HD11 ' B' ' 34' ' ' LEU . 6.2 t80 -48.86 -53.92 17.41 Favored 'General case' 0 N--CA 1.44 -0.927 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.695 168.774 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 5.3 mt -54.98 -38.58 68.01 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 118.248 0.477 . . . . 0.0 112.158 174.682 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.81 -51.04 61.42 Favored Glycine 0 CA--C 1.527 0.842 0 O-C-N 121.768 -0.582 . . . . 0.0 112.063 173.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.29 -50.35 71.65 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 122.752 0.421 . . . . 0.0 110.302 175.24 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 73.0 mt -52.13 -50.71 61.17 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-O 119.16 -0.448 . . . . 0.0 110.353 174.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.61 -55.74 26.28 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.326 0.651 . . . . 0.0 110.377 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 37.5 mmm -48.34 -37.31 16.32 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.073 0.549 . . . . 0.0 111.375 175.439 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 73.2 mt -78.39 -80.31 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 C-N-CA 123.112 0.565 . . . . 0.0 111.372 175.093 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . 0.282 0.0 OUTLIER -69.55 -21.54 63.62 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 120.808 -1.182 . . . . 0.0 114.11 -168.599 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.37 24.22 4.04 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.049 1.34 . . . . 0.0 111.005 172.717 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -18.16 -45.31 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 130.119 3.368 . . . . 0.0 117.22 -173.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -43.45 -31.17 0.65 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 126.164 1.786 . . . . 0.0 112.756 174.369 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -39.14 -38.17 0.46 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.775 1.63 . . . . 0.0 113.203 169.593 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 7.4 mmtm -127.26 -44.42 1.58 Allowed 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 126.17 1.788 . . . . 0.0 111.223 -176.345 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.269 2.341 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -175.248 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.8 ppp? . . . . . 0 CA--C 1.535 0.402 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -159.73 168.67 25.38 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 106.057 -1.831 . . . . 0.0 106.057 175.104 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.7 168.94 23.26 Favored Pre-proline 0 CA--C 1.542 0.641 0 C-N-CA 123.574 0.75 . . . . 0.0 111.047 -171.806 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -47.03 -57.36 2.35 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 123.516 2.811 . . . . 0.0 114.985 -178.278 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.5 mt -64.75 -42.64 95.01 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 118.868 0.758 . . . . 0.0 110.612 -178.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -46.68 -53.48 11.59 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.417 1.487 . . . . 0.0 109.353 174.432 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -60.2 -53.17 60.84 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.311 174.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -47.98 -46.67 32.82 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.165 0.986 . . . . 0.0 112.06 -176.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 61.3 mt -49.28 -58.83 1.12 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.289 0 C-N-CA 123.824 0.85 . . . . 0.0 109.927 177.006 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.67 -45.77 92.94 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.544 -1.023 . . . . 0.0 110.544 178.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 80.9 mt -57.98 -53.35 59.2 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-O 117.869 -1.062 . . . . 0.0 111.541 -177.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -49.59 -51.07 39.85 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 120.977 1.717 . . . . 0.0 110.848 178.025 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 86.5 mt -57.06 -54.28 32.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 CA-C-N 118.617 0.644 . . . . 0.0 111.415 175.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.83 -58.74 12.94 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 -176.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 75.0 mt -47.27 -58.97 0.77 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.513 0 C-N-CA 126.363 1.865 . . . . 0.0 108.794 173.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -40.91 -60.54 1.16 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.382 1.073 . . . . 0.0 111.854 173.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -70.1 -35.59 74.26 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 120.955 -1.091 . . . . 0.0 113.137 -175.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.5 tptp -65.35 -38.79 91.17 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 121.397 -0.814 . . . . 0.0 110.75 176.226 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -78.77 -21.05 48.46 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 124.35 1.06 . . . . 0.0 109.232 -178.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.8 p -75.64 64.88 1.75 Allowed 'General case' 0 C--N 1.34 0.179 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 163.045 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.19 -53.98 38.86 Favored Glycine 0 C--N 1.339 0.721 0 N-CA-C 107.673 -2.171 . . . . 0.0 107.673 176.24 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? 20.33 83.9 0.01 OUTLIER 'General case' 0 C--N 1.342 0.257 0 C-N-CA 127.903 2.481 . . . . 0.0 111.535 168.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -0.19 -88.49 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 127.092 2.157 . . . . 0.0 114.947 -174.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.49 -93.17 0.07 OUTLIER Glycine 0 CA--C 1.528 0.877 0 C-N-CA 124.518 1.056 . . . . 0.0 111.632 -174.049 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -60.53 154.43 20.92 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.219 0.608 . . . . 0.0 110.489 -172.112 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.74 43.26 2.81 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 122.566 1.174 . . . . 0.0 111.044 -168.074 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -133.78 179.12 6.43 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 105.11 -2.182 . . . . 0.0 105.11 167.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.8 p 56.69 106.04 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.353 1.461 . . . . 0.0 112.13 -176.055 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.444 HD11 ' CD1' ' A' ' 37' ' ' LEU . 3.0 tt -65.77 130.97 45.15 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 128.071 2.548 . . . . 0.0 110.484 -169.777 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.3 m -70.96 122.64 20.36 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 121.604 0.716 . . . . 0.0 110.108 -178.192 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -31.52 55.6 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.285 1.434 . . . . 0.0 114.103 -174.164 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.429 ' NZ ' ' OE2' ' A' ' 33' ' ' GLU . 9.1 ttpp -67.03 -60.45 2.62 Favored 'General case' 0 CA--C 1.528 0.113 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 174.458 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.429 ' OE2' ' NZ ' ' A' ' 32' ' ' LYS . 14.8 mp0 -48.53 -42.31 32.86 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.888 1.275 . . . . 0.0 109.984 177.664 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.8 tp -47.05 -44.38 20.75 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.786 -0.571 . . . . 0.0 112.283 174.469 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.424 ' HZ2' ' CG ' ' A' ' 58' ' ' ASP . 48.5 tptt -62.47 -34.29 76.54 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 118.409 0.55 . . . . 0.0 110.944 -176.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 68.9 tt0 -64.49 -52.61 57.03 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 171.15 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.444 ' CD1' HD11 ' A' ' 29' ' ' LEU . 1.5 tt -48.52 -55.46 10.97 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 125.733 1.613 . . . . 0.0 111.35 -174.488 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.21 -45.25 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.026 0 O-C-N 122.126 -0.359 . . . . 0.0 111.1 -177.18 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -63.33 -53.47 52.16 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 119.186 -0.435 . . . . 0.0 110.617 -177.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . 0.252 0.0 OUTLIER -92.02 -84.88 0.26 Allowed 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 179.139 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.4 mp0 -46.45 -45.2 18.02 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 115.878 1.807 . . . . 0.0 115.878 -168.37 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.0 mt -62.13 -16.14 50.52 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 120.25 1.386 . . . . 0.0 112.575 -179.144 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 15.4 m 62.18 57.73 1.95 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.963 0.801 . . . . 0.0 110.946 169.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.8 mm -63.38 -47.64 90.94 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 169.16 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 52.67 -101.34 0.07 OUTLIER Glycine 0 C--N 1.341 0.847 0 N-CA-C 109.014 -1.634 . . . . 0.0 109.014 -174.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.4 m -151.52 32.02 0.58 Allowed 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.225 0.61 . . . . 0.0 109.441 168.175 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 39.7 tttt -67.8 -42.75 81.08 Favored 'General case' 0 C--N 1.344 0.357 0 N-CA-C 107.386 -1.338 . . . . 0.0 107.386 175.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.7 tp -83.02 127.11 33.26 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 104.177 -2.527 . . . . 0.0 104.177 165.077 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -82.94 52.66 2.21 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.154 0.581 . . . . 0.0 110.377 -174.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -152.22 -176.88 5.86 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.535 1.534 . . . . 0.0 107.33 169.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -174.46 -46.43 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 128.423 2.689 . . . . 0.0 106.256 -176.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -64.29 -45.56 87.46 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 124.576 1.15 . . . . 0.0 113.482 -172.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.2 pt -75.27 -38.32 40.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.578 0 CA-C-N 120.885 1.675 . . . . 0.0 109.175 172.259 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 43.0 t -51.07 -51.25 22.29 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 C-N-CA 123.003 0.521 . . . . 0.0 110.531 -178.01 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.5 ptpt -67.98 -12.85 61.54 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -174.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 62.5 tp -91.85 -44.72 8.77 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.649 0.78 . . . . 0.0 109.834 171.162 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 28.2 ttt -72.42 -43.74 63.43 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 122.981 0.512 . . . . 0.0 111.201 -172.151 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.424 ' CG ' ' HZ2' ' A' ' 35' ' ' LYS . 45.8 p-10 -35.12 -52.26 0.57 Allowed 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 127.243 2.217 . . . . 0.0 114.203 -173.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -51.49 -19.87 1.62 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.113 1.365 . . . . 0.0 113.309 -176.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.5 tt -41.85 -41.34 2.37 Favored 'General case' 0 C--O 1.231 0.129 0 C-N-CA 125.6 1.56 . . . . 0.0 111.263 169.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -52.88 -45.55 67.54 Favored 'General case' 0 C--O 1.227 -0.127 0 O-C-N 122.179 -0.326 . . . . 0.0 110.793 177.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.81 23.0 3.3 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.447 0.699 . . . . 0.0 112.412 178.45 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -26.14 -85.0 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 127.028 2.131 . . . . 0.0 113.552 -169.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.45 44.65 1.14 Allowed 'General case' 0 C--O 1.233 0.225 0 CA-C-N 120.028 1.285 . . . . 0.0 112.16 -177.492 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 61.08 27.93 17.71 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 123.916 0.886 . . . . 0.0 111.094 168.161 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 10.0 pm0 -74.32 161.77 29.55 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 122.937 0.495 . . . . 0.0 109.761 178.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.33 95.45 6.36 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 106.507 -1.664 . . . . 0.0 106.507 177.283 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.1 t -61.51 114.61 1.34 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 C-N-CA 124.985 1.314 . . . . 0.0 111.995 -167.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -73.36 157.93 36.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 120.961 -1.087 . . . . 0.0 110.284 178.47 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -50.81 -35.9 34.53 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 119.065 -0.493 . . . . 0.0 109.791 170.407 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -52.55 -56.17 17.14 Favored 'General case' 0 C--N 1.342 0.265 0 CA-C-N 118.79 0.723 . . . . 0.0 111.692 171.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -63.24 -54.63 34.25 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 -174.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -41.54 -51.38 3.92 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.148 1.379 . . . . 0.0 110.593 170.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -64.03 -46.82 92.79 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 C-N-CA 122.756 0.423 . . . . 0.0 111.414 178.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 54.7 m -58.19 -46.79 85.16 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -175.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -56.39 -62.76 1.5 Allowed 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 125.494 1.517 . . . . 0.0 112.106 173.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.59 -37.06 70.1 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 122.41 1.1 . . . . 0.0 109.013 -177.04 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.66 -30.73 21.28 Favored Glycine 0 CA--C 1.528 0.885 0 C-N-CA 127.56 2.505 . . . . 0.0 113.738 172.096 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.33 -25.82 67.39 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 120.694 2.247 . . . . 0.0 112.694 175.297 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -89.76 1.31 56.27 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.658 0.783 . . . . 0.0 110.751 175.079 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.495 ' HB1' HD11 ' A' ' 88' ' ' LEU . . . -44.77 -76.02 0.03 OUTLIER 'General case' 0 CA--C 1.512 -0.502 0 C-N-CA 125.421 1.488 . . . . 0.0 113.951 -168.643 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 92.5 mtp -64.53 -11.74 37.39 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 119.655 -0.818 . . . . 0.0 112.725 -168.252 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 59.1 mt -77.75 -64.52 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 169.36 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . 0.356 0.0 OUTLIER -90.59 26.91 1.87 Allowed 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 114.755 1.391 . . . . 0.0 114.755 -177.67 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.416 HD22 ' C ' ' A' ' 85' ' ' ASN . 0.3 OUTLIER -28.12 -56.96 0.12 Allowed 'General case' 0 CA--C 1.52 -0.201 0 C-N-CA 127.984 2.514 . . . . 0.0 115.749 -167.558 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.3 pm0 -49.77 -31.23 11.07 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 125.731 1.612 . . . . 0.0 114.079 -178.245 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.56 -17.34 64.5 Favored 'General case' 0 N--CA 1.449 -0.486 0 O-C-N 121.745 -0.597 . . . . 0.0 112.589 177.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.547 HD13 ' CD1' ' B' ' 70' ' ' PHE . 49.7 mt -68.75 -50.87 47.01 Favored 'General case' 0 C--N 1.342 0.244 0 N-CA-C 115.075 1.509 . . . . 0.0 115.075 -166.561 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.92 ' O ' ' OXT' ' A' ' 90' ' ' GLY 0.267 17.2 pttp -158.17 64.67 0.45 Allowed 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 121.159 1.8 . . . . 0.0 114.748 177.846 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.92 ' OXT' ' O ' ' A' ' 89' ' ' LYS . . . . . . . . 0 C--O 1.27 2.365 0 N-CA-C 111.647 -0.581 . . . . 0.0 111.647 175.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 94.9 mmm . . . . . 0 N--CA 1.451 -0.379 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -167.38 174.07 8.31 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 126.402 1.881 . . . . 0.0 105.971 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.82 173.67 6.77 Favored Pre-proline 0 CA--C 1.539 0.54 0 C-N-CA 123.595 0.758 . . . . 0.0 109.189 -177.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -49.6 -62.37 0.43 Allowed 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 122.715 2.277 . . . . 0.0 114.381 -169.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 85.2 mt -65.94 -50.89 62.79 Favored 'General case' 0 CA--C 1.53 0.173 0 O-C-N 122.097 -0.377 . . . . 0.0 110.95 -173.228 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.73 -53.49 47.15 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 125.769 1.627 . . . . 0.0 110.643 177.239 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -58.94 -48.49 81.31 Favored 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 122.981 0.512 . . . . 0.0 110.336 176.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.97 -55.31 32.15 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 122.989 0.516 . . . . 0.0 110.727 -179.105 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 83.2 mt -53.29 -52.0 35.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 C-N-CA 123.934 0.894 . . . . 0.0 109.294 175.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.75 -46.49 13.45 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 123.852 0.739 . . . . 0.0 111.564 174.314 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 49.7 tp -68.0 -13.26 62.04 Favored 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 121.542 -0.975 . . . . 0.0 113.112 -175.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 mp -89.32 -71.1 0.62 Allowed 'General case' 0 N--CA 1.449 -0.517 0 O-C-N 121.136 -0.978 . . . . 0.0 108.624 167.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.455 HD13 HG21 ' B' ' 13' ' ' ILE . 0.1 OUTLIER -89.4 -33.73 6.33 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.579 0 CA-C-N 114.408 -1.269 . . . . 0.0 112.285 -164.562 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.03 -52.13 52.2 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 108.025 -2.03 . . . . 0.0 108.025 176.254 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 2.6 tt -64.87 -45.48 94.76 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.453 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.596 ' CE1' ' CE1' ' B' ' 17' ' ' HIS . 0.2 OUTLIER -40.01 -72.71 0.06 Allowed 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 119.503 1.047 . . . . 0.0 109.19 168.246 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 17' ' ' HIS . . . . . 0.596 ' CE1' ' CE1' ' B' ' 16' ' ' PHE 0.286 26.6 m-70 -82.15 20.01 1.09 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 118.472 -1.291 . . . . 0.0 112.072 -169.281 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -64.07 -43.2 96.19 Favored 'General case' 0 C--N 1.342 0.281 0 N-CA-C 104.046 -2.575 . . . . 0.0 104.046 162.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' TYR . . . . . 0.52 ' CD2' HD12 ' B' ' 37' ' ' LEU . 86.0 m-85 -77.62 61.36 2.34 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 125.463 1.505 . . . . 0.0 112.897 -168.714 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.8 p -108.19 -34.36 6.87 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 127.445 2.298 . . . . 0.0 106.911 166.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 79.88 -54.09 4.4 Favored Glycine 0 CA--C 1.526 0.769 0 C-N-CA 124.322 0.963 . . . . 0.0 110.967 171.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.08 -11.75 59.74 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.084 1.354 . . . . 0.0 110.565 171.314 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . 0.304 24.2 mm-40 68.93 -42.16 0.48 Allowed 'General case' 0 C--N 1.34 0.179 0 C-N-CA 127.334 2.254 . . . . 0.0 116.627 171.318 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.61 -48.35 61.26 Favored Glycine 0 CA--C 1.532 1.105 0 N-CA-C 110.056 -1.217 . . . . 0.0 110.056 169.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -83.24 61.78 6.3 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 122.171 0.986 . . . . 0.0 112.1 -169.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -65.56 105.06 1.12 Allowed 'General case' 0 CA--C 1.534 0.347 0 O-C-N 121.485 -0.759 . . . . 0.0 110.755 173.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -161.33 -141.89 0.07 Allowed 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.547 0.739 . . . . 0.0 109.698 178.377 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 5.2 p -52.43 158.58 1.19 Allowed 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 125.791 1.637 . . . . 0.0 110.982 171.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.455 ' H ' HD12 ' B' ' 29' ' ' LEU . 4.2 mp -80.23 95.96 6.45 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 106.002 -1.851 . . . . 0.0 106.002 169.387 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 29.4 m -74.51 65.85 1.32 Allowed 'General case' 0 C--O 1.238 0.498 0 N-CA-C 114.487 1.291 . . . . 0.0 114.487 -168.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 3.1 mttm 66.54 -71.24 0.09 Allowed 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 127.037 2.135 . . . . 0.0 111.619 174.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 17.0 mtmm -56.27 -53.64 54.87 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 124.514 1.126 . . . . 0.0 108.89 -172.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 21.6 mp0 -61.88 -32.68 73.07 Favored 'General case' 0 N--CA 1.438 -1.062 0 C-N-CA 125.493 1.517 . . . . 0.0 109.748 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 12.3 tp -66.86 -46.03 76.29 Favored 'General case' 0 C--N 1.341 0.209 0 O-C-N 120.706 -1.246 . . . . 0.0 109.82 173.095 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 43.7 mmtt -62.96 -22.35 66.75 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 119.969 -0.693 . . . . 0.0 110.729 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -65.06 -55.72 17.24 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 166.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.52 HD12 ' CD2' ' B' ' 19' ' ' TYR . 8.2 tt -47.9 -52.16 20.45 Favored 'General case' 0 CA--C 1.513 -0.476 0 C-N-CA 125.657 1.583 . . . . 0.0 111.673 -175.068 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 15.4 pt -52.98 -34.24 20.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 O-C-N 123.63 0.581 . . . . 0.0 112.253 -171.027 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 12.2 tp-100 -64.42 -28.27 69.57 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.912 -0.492 . . . . 0.0 111.544 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -90.83 -76.24 0.44 Allowed 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 124.265 1.026 . . . . 0.0 112.616 -173.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . 0.294 12.0 pt-20 -92.59 -82.4 0.33 Allowed 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 116.915 2.191 . . . . 0.0 116.915 -167.158 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.622 HD12 ' H ' ' B' ' 43' ' ' THR 0.448 1.7 pp -29.16 -94.93 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 118.331 2.715 . . . . 0.0 118.331 -162.781 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 43' ' ' THR . . . . . 0.622 ' H ' HD12 ' B' ' 42' ' ' LEU . 14.9 p -75.5 63.92 1.55 Allowed 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 120.351 1.432 . . . . 0.0 110.144 -174.04 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . 0.3 7.5 tt 38.35 59.3 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 CA-C-O 123.824 1.773 . . . . 0.0 110.079 -168.373 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 56.06 34.52 62.24 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 127.197 2.332 . . . . 0.0 113.452 -175.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 57.9 p 43.66 60.89 2.47 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 125.444 1.498 . . . . 0.0 113.303 -174.193 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 3.2 pttm -147.52 -69.42 0.24 Allowed 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.276 173.357 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 31.8 tp -69.56 94.21 0.75 Allowed 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.615 -0.678 . . . . 0.0 110.42 -171.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 82.51 22.27 0.22 Allowed 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 127.56 2.344 . . . . 0.0 112.214 -176.401 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -106.47 168.61 9.05 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 106.036 -1.839 . . . . 0.0 106.036 167.173 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -166.31 168.81 14.75 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.719 -0.613 . . . . 0.0 109.94 -172.137 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.41 -45.71 82.9 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 173.242 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 48.3 pt -59.0 -30.12 42.73 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 C-N-CA 123.119 0.568 . . . . 0.0 112.162 174.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 64.4 t -76.93 -52.03 17.67 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.264 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 174.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.18 -37.32 66.9 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 118.781 0.719 . . . . 0.0 111.248 -179.689 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -43.39 -40.58 3.76 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.828 0.851 . . . . 0.0 110.646 171.284 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 48.9 mtt -86.99 -58.27 2.65 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.713 0.805 . . . . 0.0 110.94 174.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.52 ' C ' ' H ' ' B' ' 60' ' ' LEU . 36.8 t70 -70.74 -4.89 26.1 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 127.173 2.189 . . . . 0.0 116.022 -168.289 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -68.58 26.35 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 161.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.52 ' H ' ' C ' ' B' ' 58' ' ' ASP . 3.6 pp -64.17 -5.97 5.82 Favored 'General case' 0 C--N 1.346 0.445 0 C-N-CA 126.471 1.908 . . . . 0.0 112.681 -168.798 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -52.77 -24.57 9.1 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 121.965 0.888 . . . . 0.0 109.959 163.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 30.9 ttm180 -48.55 -21.19 0.53 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.973 2.109 . . . . 0.0 112.456 167.691 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -27.77 -54.0 0.09 Allowed 'General case' 0 C--N 1.34 0.153 0 C-N-CA 129.503 3.121 . . . . 0.0 113.386 175.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 18.4 pttm -134.71 -49.64 0.77 Allowed 'General case' 0 CA--C 1.537 0.469 0 O-C-N 123.195 0.31 . . . . 0.0 111.441 -175.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 50.2 p30 -159.47 0.09 0.08 Allowed 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 -168.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 61.63 12.56 4.63 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 -171.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -86.79 79.25 8.88 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 105.843 -1.91 . . . . 0.0 105.843 168.355 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 55.9 t -66.69 127.55 28.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.295 -169.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -98.78 174.47 6.38 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.832 1.253 . . . . 0.0 108.988 168.107 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.547 ' CD1' HD13 ' A' ' 88' ' ' LEU . 0.7 OUTLIER -50.52 -47.52 57.46 Favored 'General case' 0 C--N 1.341 0.208 0 CA-C-O 119.3 -0.381 . . . . 0.0 111.869 -179.757 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -51.73 64.6 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.255 0.55 . . . . 0.0 110.005 -175.752 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -60.33 -52.4 65.44 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.56 0.744 . . . . 0.0 110.145 179.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -47.89 -60.83 2.3 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 124.531 1.132 . . . . 0.0 110.413 177.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 10.3 tp -64.45 -43.1 96.93 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 -174.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 29.2 m -51.92 -59.08 4.74 Favored 'General case' 0 C--N 1.34 0.192 0 C-N-CA 122.712 0.405 . . . . 0.0 110.569 178.022 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -72.1 -37.47 69.53 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 119.61 -0.836 . . . . 0.0 111.553 -173.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . 0.255 0.4 OUTLIER -54.75 -34.41 62.51 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 119.502 -0.879 . . . . 0.0 111.216 171.076 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.14 -37.25 16.74 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 124.63 1.109 . . . . 0.0 114.239 169.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -41.74 -67.29 0.27 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 119.043 1.422 . . . . 0.0 114.233 -169.342 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 19.2 mt -90.12 5.05 48.5 Favored 'General case' 0 C--N 1.333 -0.139 0 O-C-N 122.13 -0.357 . . . . 0.0 111.861 179.031 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.76 -46.33 70.91 Favored 'General case' 0 CA--C 1.516 -0.344 0 C-N-CA 123.507 0.723 . . . . 0.0 110.818 -172.16 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 29.7 ttp -58.95 -31.29 68.57 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.648 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 27.8 mm -79.69 -57.09 5.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 C-N-CA 123.998 0.919 . . . . 0.0 108.989 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -75.72 22.57 0.14 Allowed 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 118.272 -0.871 . . . . 0.0 112.838 -176.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 85' ' ' ASN . . . . . 0.57 ' O ' HD22 ' B' ' 88' ' ' LEU . 0.2 OUTLIER -16.82 -101.68 0.0 OUTLIER 'General case' 0 C--O 1.235 0.31 0 C-N-CA 126.444 1.897 . . . . 0.0 114.812 -157.182 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.98 ' OE1' ' OXT' ' B' ' 90' ' ' GLY 0.261 7.1 tp10 -62.19 123.75 19.0 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 120.938 1.699 . . . . 0.0 110.022 -169.21 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . 136.36 -28.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 1 C-N-CA 132.426 4.29 . . . . 0.0 106.62 -167.22 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.57 HD22 ' O ' ' B' ' 85' ' ' ASN . 1.0 OUTLIER -69.95 -23.57 63.21 Favored 'General case' 0 N--CA 1.445 -0.681 0 O-C-N 121.697 -0.627 . . . . 0.0 111.627 -179.177 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -117.3 -48.28 2.62 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 124.61 1.164 . . . . 0.0 110.057 175.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 90' ' ' GLY . . . . . 0.98 ' OXT' ' OE1' ' B' ' 86' ' ' GLU . . . . . . . . 0 C--O 1.27 2.391 0 N-CA-C 110.061 -1.216 . . . . 0.0 110.061 177.652 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.7 mtp . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.32 -35.95 10.55 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.911 0.884 . . . . 0.0 108.642 167.87 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.0 p -162.68 160.11 19.79 Favored Pre-proline 0 CA--C 1.535 0.372 0 C-N-CA 125.029 1.332 . . . . 0.0 109.801 179.025 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -55.78 -35.46 93.59 Favored 'Trans proline' 0 N--CA 1.455 -0.769 0 C-N-CA 121.455 1.437 . . . . 0.0 109.953 168.504 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 tt -56.24 -62.82 1.45 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.831 0.852 . . . . 0.0 110.268 174.37 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 1.015 ' OD2' ' OXT' ' B' ' 90' ' ' GLY . 0.0 OUTLIER -55.59 -44.88 77.37 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 118.533 0.606 . . . . 0.0 110.207 -177.403 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -57.57 -44.92 85.67 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 121.254 -0.178 . . . . 0.0 111.083 177.146 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.3 -44.77 88.7 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 118.361 0.528 . . . . 0.0 111.142 176.032 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.636 ' CG2' HD13 ' B' ' 88' ' ' LEU . 39.4 mm -57.97 -43.16 84.27 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 O-C-N 121.895 -0.503 . . . . 0.0 109.732 174.04 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.63 -50.46 36.53 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 169.96 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 88.2 mt -57.18 -44.78 83.89 Favored 'General case' 0 CA--C 1.531 0.218 0 O-C-N 121.622 -0.928 . . . . 0.0 110.729 175.743 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.6 -43.93 93.57 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.838 1.199 . . . . 0.0 111.777 177.165 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.0 mm -56.34 -43.42 77.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 172.049 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -52.62 -63.13 5.2 Favored Glycine 0 CA--C 1.528 0.877 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 173.014 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.9 mm -45.87 -49.43 4.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 C-N-CA 124.62 1.168 . . . . 0.0 110.626 -176.574 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.402 ' CZ ' ' CE1' ' A' ' 17' ' ' HIS . 35.7 t80 -53.45 -81.56 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 127.025 2.13 . . . . 0.0 110.835 169.439 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.405 ' ND1' ' OD2' ' A' ' 25' ' ' ASP . 1.9 m-70 -72.2 5.87 2.55 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 115.723 1.749 . . . . 0.0 115.723 -169.608 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -61.89 -41.21 97.61 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 165.196 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -74.15 157.47 35.92 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.583 -178.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.408 ' HB2' ' CB ' ' A' ' 25' ' ' ASP . 72.9 m 56.0 31.72 18.53 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 121.474 0.654 . . . . 0.0 110.056 -169.217 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -77.01 55.01 3.51 Favored Glycine 0 C--N 1.34 0.795 0 C-N-CA 126.06 1.79 . . . . 0.0 108.916 169.922 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -123.86 -63.88 1.18 Allowed 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 105.967 -1.864 . . . . 0.0 105.967 172.955 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.15 -30.09 54.9 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 121.909 0.861 . . . . 0.0 110.306 168.358 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.77 58.29 1.43 Allowed Glycine 0 C--N 1.332 0.33 0 N-CA-C 108.69 -1.764 . . . . 0.0 108.69 178.488 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.408 ' CB ' ' HB2' ' A' ' 20' ' ' SER . 2.1 t0 -32.82 108.95 0.06 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 127.119 2.167 . . . . 0.0 114.872 -171.728 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -99.91 26.56 6.23 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.478 1.111 . . . . 0.0 110.373 174.04 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.402 ' ND1' ' OD1' ' A' ' 25' ' ' ASP . 0.1 OUTLIER -156.0 -111.08 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 119.328 0.967 . . . . 0.0 112.44 -166.983 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.3 p -95.41 144.86 25.58 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 126.485 1.914 . . . . 0.0 109.369 173.005 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.3 tt -73.92 128.36 35.32 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 126.488 1.915 . . . . 0.0 107.673 176.417 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.0 m -77.61 68.64 3.73 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 114.549 1.315 . . . . 0.0 114.549 -168.473 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp 42.53 -74.91 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 128.25 2.62 . . . . 0.0 115.818 165.337 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -25.43 61.36 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.468 1.107 . . . . 0.0 111.283 175.066 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -73.87 -22.28 59.79 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.115 -0.991 . . . . 0.0 112.13 172.469 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.4 ' O ' HD13 ' A' ' 34' ' ' LEU . 0.5 OUTLIER -65.14 -33.93 77.19 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.416 -0.803 . . . . 0.0 109.416 177.607 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.6 mmtm -52.12 -50.14 62.29 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.939 -0.476 . . . . 0.0 112.107 177.531 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 23.6 mp0 -52.58 -55.93 18.84 Favored 'General case' 0 N--CA 1.451 -0.407 0 O-C-N 121.816 -0.553 . . . . 0.0 111.627 171.477 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.86 -61.93 1.71 Allowed 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 124.271 1.028 . . . . 0.0 110.416 -177.141 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.1 tp -60.29 -47.12 93.6 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 123.413 0.685 . . . . 0.0 111.584 -169.42 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -63.0 -53.01 60.66 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 178.375 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.0 mtmp? -78.51 -71.08 0.45 Allowed 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 113.809 1.041 . . . . 0.0 113.809 -168.731 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -84.45 -99.51 0.06 Allowed 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 -167.38 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . 0.305 3.3 pp -30.71 -52.4 0.17 Allowed 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 116.846 2.165 . . . . 0.0 116.846 -164.873 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.2 p -59.11 105.38 0.32 Allowed 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.068 0.547 . . . . 0.0 111.959 -168.896 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.9 pt 43.14 40.06 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 C-N-CA 124.472 1.109 . . . . 0.0 112.573 -171.506 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 49.78 -131.94 27.4 Favored Glycine 0 CA--C 1.533 1.162 0 CA-C-N 115.172 -0.922 . . . . 0.0 112.475 179.096 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.9 m -69.44 34.97 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 117.307 2.336 . . . . 0.0 117.307 -167.915 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 67.36 100.21 0.05 OUTLIER 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.871 1.268 . . . . 0.0 113.576 168.686 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.9 tt -79.01 62.9 3.55 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 168.331 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.0 tp60 67.4 -6.13 0.67 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.593 1.957 . . . . 0.0 113.846 -177.539 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -80.11 -178.01 6.33 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.62 1.168 . . . . 0.0 112.159 -177.639 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . 0.253 . . 101.29 33.29 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 129.379 3.072 . . . . 0.0 113.905 169.411 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.497 ' CD ' ' H ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -90.79 -106.16 0.1 Allowed 'General case' 0 N--CA 1.438 -1.046 0 C-N-CA 128.573 2.749 . . . . 0.0 103.784 165.926 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -91.29 -26.45 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.979 0 C-N-CA 124.262 1.025 . . . . 0.0 112.692 175.053 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.9 t -64.4 -36.87 78.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-N 120.826 1.648 . . . . 0.0 110.889 -168.631 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.56 -12.66 58.83 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.219 -0.926 . . . . 0.0 112.695 176.435 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.0 tp -65.93 -20.2 66.13 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.054 -1.029 . . . . 0.0 110.404 169.33 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 53.4 ttp -63.7 -60.14 3.69 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 168.537 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.416 ' C ' ' H ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -57.34 -23.75 50.86 Favored 'General case' 0 CA--C 1.52 -0.177 0 C-N-CA 126.938 2.095 . . . . 0.0 113.238 -179.728 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -63.48 9.25 0.06 Allowed 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 122.952 0.501 . . . . 0.0 111.312 167.014 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.416 ' H ' ' C ' ' A' ' 58' ' ' ASP . 1.6 tm? -37.13 -34.61 0.08 Allowed 'General case' 0 C--N 1.347 0.461 1 C-N-CA 132.282 4.233 . . . . 0.0 110.336 163.86 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -34.17 -29.43 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 127.184 2.194 . . . . 0.0 112.76 166.41 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.3 mtm105 -43.41 -21.16 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 168.305 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -28.56 -49.34 0.07 Allowed 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 127.803 2.441 . . . . 0.0 112.995 169.909 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? -130.13 67.46 1.47 Allowed 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 168.819 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.277 3.1 p-10 28.32 47.86 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 128.211 2.604 . . . . 0.0 114.189 173.792 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 55.04 30.32 14.02 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 126.328 1.851 . . . . 0.0 112.921 173.48 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.63 59.29 1.95 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.982 1.313 . . . . 0.0 107.925 175.321 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 53.1 t -84.9 132.12 32.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 N-CA-C 113.296 0.851 . . . . 0.0 113.296 -166.091 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -120.42 178.72 4.55 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 105.105 -2.183 . . . . 0.0 105.105 164.757 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -54.04 -41.27 67.9 Favored 'General case' 0 CA--C 1.53 0.207 0 O-C-N 121.301 -0.874 . . . . 0.0 111.0 -173.88 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.42 -52.44 64.64 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 119.379 -0.343 . . . . 0.0 110.487 178.434 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -64.29 -47.45 79.45 Favored 'General case' 0 CA--C 1.522 -0.125 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 -174.745 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -48.47 -61.41 2.03 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.023 0.929 . . . . 0.0 109.443 175.625 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.7 tp -68.32 -40.76 82.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-O 119.37 -0.347 . . . . 0.0 110.577 -172.655 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.5 m -49.85 -60.31 3.02 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 124.37 1.068 . . . . 0.0 109.886 173.638 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . 0.254 0.1 OUTLIER -60.56 -44.05 96.58 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.064 -177.064 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -46.61 -51.49 15.65 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 118.904 0.775 . . . . 0.0 111.075 170.551 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.59 -53.88 41.62 Favored Glycine 0 CA--C 1.525 0.719 0 C-N-CA 124.384 0.992 . . . . 0.0 111.122 -179.922 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.9 -53.28 57.51 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.055 0.542 . . . . 0.0 110.784 179.476 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.7 mp -54.94 -49.56 71.04 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.542 0.737 . . . . 0.0 110.58 177.212 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.53 -44.47 76.71 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 122.862 0.465 . . . . 0.0 110.194 178.473 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 7.8 ttt -56.9 -22.45 37.39 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 177.642 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 41.4 mm -90.81 -74.43 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 123.718 0.807 . . . . 0.0 109.876 169.266 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . 0.252 1.2 p90 -62.7 -26.76 68.83 Favored 'General case' 0 CA--C 1.536 0.426 0 O-C-N 120.938 -1.101 . . . . 0.0 113.76 -168.637 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -91.54 27.52 1.97 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.011 1.724 . . . . 0.0 111.47 174.528 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -13.51 -58.52 0.0 OUTLIER 'General case' 0 C--N 1.345 0.395 0 C-N-CA 129.668 3.187 . . . . 0.0 116.297 -167.883 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -32.35 -42.41 0.07 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 126.17 1.788 . . . . 0.0 113.079 174.896 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -31.12 -46.38 0.09 Allowed 'General case' 0 C--N 1.342 0.253 0 C-N-CA 126.458 1.903 . . . . 0.0 113.983 171.717 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.9 mtmm -64.09 -35.26 80.18 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 121.659 -0.651 . . . . 0.0 111.999 -174.715 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.411 0 C-N-CA 125.182 1.372 . . . . 0.0 110.08 178.695 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 96.5 mmm . . . . . 0 N--CA 1.451 -0.419 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.67 -169.59 1.59 Allowed 'General case' 0 C--O 1.236 0.345 0 N-CA-C 106.376 -1.713 . . . . 0.0 106.376 179.182 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.36 170.47 15.52 Favored Pre-proline 0 CA--C 1.537 0.449 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.599 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -46.46 -65.9 0.17 Allowed 'Trans proline' 0 CA--C 1.54 0.811 0 C-N-CA 123.254 2.636 . . . . 0.0 115.137 -169.53 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 96.6 mt -64.21 -53.23 52.48 Favored 'General case' 0 CA--C 1.53 0.192 0 O-C-N 121.937 -0.477 . . . . 0.0 110.741 -172.588 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.19 -53.92 18.93 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 126.283 1.833 . . . . 0.0 110.709 176.095 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -56.14 -52.42 64.41 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.759 0.824 . . . . 0.0 110.042 177.02 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.0 -48.45 79.99 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 118.122 0.419 . . . . 0.0 111.629 -177.924 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 72.6 mt -55.7 -53.72 34.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 176.478 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.05 -51.33 25.41 Favored Glycine 0 CA--C 1.528 0.863 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 176.683 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 81.3 mt -63.0 -43.86 97.61 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 118.753 -0.641 . . . . 0.0 111.083 -179.417 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 48.5 mt -57.98 -46.65 84.84 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 120.01 1.277 . . . . 0.0 110.872 177.688 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 67.5 mt -61.74 -41.33 90.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 175.61 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.4 -61.37 7.06 Favored Glycine 0 CA--C 1.526 0.737 0 C-N-CA 124.262 0.934 . . . . 0.0 110.843 174.537 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 20.6 mm -57.26 -35.23 47.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 118.088 0.944 . . . . 0.0 110.718 -179.435 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -58.26 -82.87 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.747 0.703 . . . . 0.0 109.137 168.211 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . 0.318 0.5 OUTLIER -70.46 -5.79 31.17 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 116.53 2.048 . . . . 0.0 116.53 -168.343 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -57.42 -39.89 77.16 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 119.715 1.143 . . . . 0.0 108.555 167.435 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -83.52 58.96 4.83 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 122.347 1.07 . . . . 0.0 110.389 175.384 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.3 m -138.03 53.97 1.81 Allowed 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 104.025 -2.583 . . . . 0.0 104.025 168.65 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.94 -48.6 3.81 Favored Glycine 0 C--N 1.337 0.586 0 N-CA-C 109.979 -1.248 . . . . 0.0 109.979 -168.211 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.39 -48.84 12.3 Favored 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 179.153 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.66 -81.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 124.754 1.221 . . . . 0.0 108.763 167.439 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 57.03 58.32 15.17 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 109.185 -1.566 . . . . 0.0 109.185 -176.499 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -54.06 153.37 5.04 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.056 -0.572 . . . . 0.0 111.986 -169.777 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 9.1 pttm -42.47 61.06 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 131.469 3.908 . . . . 0.0 116.547 -168.966 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 6.0 p80 179.32 -45.3 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 125.185 1.394 . . . . 0.0 111.25 -175.858 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 34.6 p -137.43 152.59 49.76 Favored 'General case' 0 C--N 1.34 0.177 0 CA-C-N 118.797 0.726 . . . . 0.0 112.72 -168.765 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 27.0 mt -83.88 111.44 19.23 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 105.437 -2.06 . . . . 0.0 105.437 168.288 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 57.6 p -84.98 81.83 8.72 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -168.153 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 17.4 mttm 64.54 -77.1 0.04 OUTLIER 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 125.619 1.567 . . . . 0.0 115.022 167.881 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.492 ' H ' ' HD3' ' B' ' 32' ' ' LYS . 0.0 OUTLIER -67.56 -42.33 82.78 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 -176.36 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -53.58 -39.0 64.48 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 172.67 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -68.34 -59.25 3.33 Favored 'General case' 0 C--N 1.343 0.318 0 O-C-N 121.224 -0.923 . . . . 0.0 108.949 177.796 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 35' ' ' LYS . . . . . 0.415 ' HZ3' ' CG ' ' B' ' 61' ' ' ASP . 2.4 tppt? -60.85 -27.38 68.05 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.523 -0.735 . . . . 0.0 111.572 -171.918 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -54.22 -47.46 72.14 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 119.267 0.94 . . . . 0.0 111.64 168.612 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.7 tt -55.59 -63.38 1.19 Allowed 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 126.138 1.775 . . . . 0.0 110.154 -176.426 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . 0.255 1.4 pp -33.4 -46.97 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.187 0 C-N-CA 125.947 1.699 . . . . 0.0 115.442 -166.394 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -45.86 -59.3 2.89 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.368 0.667 . . . . 0.0 111.655 -179.207 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -94.5 -78.02 0.45 Allowed 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 -168.344 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -65.68 -3.72 5.21 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 116.724 2.12 . . . . 0.0 116.724 -164.249 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 76.2 mt -90.69 5.71 47.02 Favored 'General case' 0 C--O 1.225 -0.196 0 CA-C-N 119.404 1.002 . . . . 0.0 112.055 169.94 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 78.75 -34.44 0.16 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 120.711 1.596 . . . . 0.0 112.555 177.334 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 16.0 pt -53.09 -15.04 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 C-N-CA 126.464 1.906 . . . . 0.0 114.451 -176.483 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 57.51 54.17 39.31 Favored Glycine 0 C--N 1.337 0.627 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 173.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 6.3 m 52.07 38.73 24.87 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.352 0.661 . . . . 0.0 111.951 -177.0 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 15.5 mmtm 64.95 2.85 1.89 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.088 1.755 . . . . 0.0 113.464 -176.663 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 68.6 mt 59.23 -72.49 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.843 2.057 . . . . 0.0 112.624 -176.751 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -102.15 -56.28 2.3 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 126.574 1.95 . . . . 0.0 109.21 -177.505 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -74.91 63.63 1.22 Allowed 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 125.362 1.465 . . . . 0.0 112.841 -167.671 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -128.04 39.86 3.77 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.969 0.908 . . . . 0.0 111.291 174.269 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.46 77.01 7.27 Favored 'General case' 0 N--CA 1.449 -0.481 1 N-CA-C 98.214 -4.736 . . . . 0.0 98.214 162.763 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 28.1 pt -22.47 23.85 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.546 2 C-N-CA 136.873 6.069 . . . . 0.0 122.215 -160.541 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 96.5 t -90.36 -54.92 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 106.053 -1.832 . . . . 0.0 106.053 174.177 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 11.3 mttp -59.47 -28.55 67.1 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.625 177.461 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 6.8 tt -71.55 -44.74 64.03 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.701 1.2 . . . . 0.0 110.6 174.032 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 58.5 ttp -55.22 -47.88 74.68 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.092 -1.005 . . . . 0.0 108.971 172.764 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -74.62 19.13 0.14 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 127.509 2.324 . . . . 0.0 115.62 -172.742 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . 0.349 18.3 m-20 -61.74 41.31 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 129.834 3.254 . . . . 0.0 113.015 164.416 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 pp -11.41 24.25 0.0 OUTLIER 'General case' 0 C--N 1.344 0.35 1 C-N-CA 139.519 7.128 . . . . 0.0 121.455 -157.504 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.415 ' CG ' ' HZ3' ' B' ' 35' ' ' LYS . 24.9 p-10 -55.35 -35.79 65.59 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 104.961 -2.237 . . . . 0.0 104.961 157.434 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 1.6 ppt_? -64.33 -5.7 5.63 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 177.933 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -59.5 -38.14 80.11 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.955 0.798 . . . . 0.0 110.74 169.34 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -143.05 72.92 1.38 Allowed 'General case' 0 C--O 1.239 0.523 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -174.176 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 28.5 t0 53.91 21.54 2.87 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 127.32 2.248 . . . . 0.0 113.078 169.807 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 49.68 24.81 1.29 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.211 1.004 . . . . 0.0 113.256 -176.402 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -90.0 74.13 7.29 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 106.202 -1.777 . . . . 0.0 106.202 169.683 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 22.3 t -77.06 112.14 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 C-N-CA 119.952 -0.699 . . . . 0.0 109.822 -168.868 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -67.51 159.6 29.36 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 126.48 1.912 . . . . 0.0 109.17 171.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -58.85 -43.31 90.74 Favored 'General case' 0 C--O 1.227 -0.127 0 O-C-N 121.626 -0.671 . . . . 0.0 109.873 177.071 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -52.24 -56.21 16.2 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-O 119.473 -0.299 . . . . 0.0 110.324 174.151 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -57.38 -51.74 68.19 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 122.903 0.481 . . . . 0.0 110.813 -178.525 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -48.49 -50.07 33.11 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 125.059 1.343 . . . . 0.0 109.934 175.677 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 22.5 mm -67.68 -42.3 86.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 CA-C-O 118.411 -0.804 . . . . 0.0 111.885 179.183 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 77.9 m -57.03 -49.93 74.29 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 120.592 1.542 . . . . 0.0 110.219 177.316 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -53.52 -58.52 6.85 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 125.641 1.576 . . . . 0.0 110.633 175.165 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 15.4 mt -51.41 -48.21 62.71 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 117.726 0.239 . . . . 0.0 110.666 175.461 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.36 -51.43 21.27 Favored Glycine 0 CA--C 1.529 0.944 0 C-N-CA 125.711 1.624 . . . . 0.0 113.534 172.623 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.01 -54.8 43.02 Favored 'General case' 0 CA--C 1.531 0.213 0 O-C-N 121.783 -0.833 . . . . 0.0 109.513 177.505 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -52.71 -38.83 61.35 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 122.488 0.315 . . . . 0.0 111.038 176.261 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.444 ' HB1' HD11 ' B' ' 88' ' ' LEU . . . -68.13 -41.29 81.88 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 125.766 1.626 . . . . 0.0 111.628 -178.061 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 1.4 tmm? -74.64 -21.06 59.64 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.407 -0.808 . . . . 0.0 111.225 174.267 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 86.0 mt -73.0 -71.59 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 CA-C-N 118.888 0.767 . . . . 0.0 109.923 169.932 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . 0.253 0.7 OUTLIER -74.25 26.51 0.08 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.895 1.278 . . . . 0.0 113.799 -177.996 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -50.79 -9.78 0.06 Allowed 'General case' 0 C--O 1.235 0.326 0 N-CA-C 117.796 2.517 . . . . 0.0 117.796 -167.791 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -72.89 -29.65 63.32 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 120.708 -1.245 . . . . 0.0 109.749 173.519 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.58 -46.68 87.19 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 169.095 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.636 HD13 ' CG2' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -58.23 -40.98 83.1 Favored 'General case' 0 C--O 1.227 -0.103 0 O-C-N 121.9 -0.5 . . . . 0.0 110.435 178.948 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -87.87 22.45 2.33 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 175.326 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 90' ' ' GLY . . . . . 1.015 ' OXT' ' OD2' ' A' ' 6' ' ' ASP . . . . . . . . 0 C--O 1.269 2.343 0 CA-C-N 119.085 0.857 . . . . 0.0 111.016 179.001 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.8 mtm . . . . . 0 CA--C 1.535 0.391 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 96.28 30.36 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 129.688 3.195 . . . . 0.0 109.609 -169.503 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.43 167.7 33.58 Favored Pre-proline 0 CA--C 1.534 0.339 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 169.349 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -51.01 -46.67 29.57 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 122.603 2.202 . . . . 0.0 114.177 -173.376 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.0 mp -65.83 -57.8 7.08 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.888 0.875 . . . . 0.0 110.353 -175.839 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.53 -43.76 68.64 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.087 0.955 . . . . 0.0 110.293 175.461 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.56 -43.96 76.37 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.701 0.8 . . . . 0.0 111.075 171.742 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.55 -44.7 89.93 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 119.086 0.857 . . . . 0.0 110.682 179.899 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.8 mm -54.03 -45.66 65.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 170.538 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.18 -52.31 18.08 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 124.807 1.194 . . . . 0.0 112.156 170.509 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.8 mt -54.57 -53.7 51.12 Favored 'General case' 0 C--N 1.338 0.079 0 CA-C-N 118.443 1.121 . . . . 0.0 110.146 177.589 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -54.58 -46.49 73.73 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 118.176 0.444 . . . . 0.0 110.937 178.467 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.4 mt -59.74 -36.19 64.42 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.173 0 C-N-CA 124.596 1.158 . . . . 0.0 111.418 176.868 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.44 -65.98 2.4 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 110.26 -1.136 . . . . 0.0 110.26 175.996 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.4 mm -44.67 -41.66 2.16 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.133 0 C-N-CA 127.081 2.152 . . . . 0.0 111.148 -178.123 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.407 ' HE2' HD13 ' B' ' 88' ' ' LEU . 0.7 OUTLIER -28.73 -62.36 0.11 Allowed 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.288 1.835 . . . . 0.0 113.669 176.985 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -92.79 9.21 36.15 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 -173.933 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.1 tptp -63.27 -44.82 94.0 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 120.095 1.316 . . . . 0.0 109.479 173.897 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -56.82 125.0 20.48 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 123.927 0.891 . . . . 0.0 108.76 -175.961 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.8 p 152.47 -12.06 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 127.643 2.377 . . . . 0.0 112.148 -168.047 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.16 -69.05 2.78 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 105.474 -3.05 . . . . 0.0 105.474 -165.637 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.95 104.03 9.82 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 126.241 1.816 . . . . 0.0 110.465 178.323 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.607 ' CD ' ' H ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -74.3 -50.67 17.89 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 127.652 2.381 . . . . 0.0 114.65 -172.47 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 51.97 35.0 39.45 Favored Glycine 0 CA--C 1.534 1.229 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 -168.457 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.8 t0 35.31 45.67 0.22 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 128.493 2.717 . . . . 0.0 113.918 -168.63 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.9 tttm -67.12 108.38 2.64 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.169 0.988 . . . . 0.0 109.718 173.386 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -74.57 38.31 0.12 Allowed 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 114.419 1.266 . . . . 0.0 114.419 -173.107 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 63.8 p -153.56 139.79 18.47 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 124.617 1.167 . . . . 0.0 108.276 176.104 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 65.8 mt -98.05 100.3 11.62 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 168.996 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.3 m -78.95 60.96 3.03 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.249 -0.907 . . . . 0.0 111.188 -176.757 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? 62.98 -66.33 0.09 Allowed 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 127.355 2.262 . . . . 0.0 112.979 179.144 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.5 pttm -55.06 -45.96 75.34 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 119.054 0.843 . . . . 0.0 111.04 -175.973 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -50.31 -40.4 48.59 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 118.855 0.752 . . . . 0.0 112.166 171.882 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 tt -64.4 -21.28 66.59 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.604 -0.685 . . . . 0.0 111.245 -178.8 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.89 -41.93 75.19 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.379 -0.825 . . . . 0.0 109.552 170.414 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 59.0 tt0 -57.22 -41.55 79.71 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-O 121.445 0.64 . . . . 0.0 109.572 176.364 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 tt -58.96 -74.39 0.07 Allowed 'General case' 0 N--CA 1.439 -1.024 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.375 -171.307 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.591 ' HA ' ' HB3' ' A' ' 41' ' ' GLU . 28.6 pt -46.33 -11.65 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.556 1.191 0 N-CA-C 117.105 2.261 . . . . 0.0 117.105 -166.649 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -92.38 -53.81 4.06 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 121.149 1.795 . . . . 0.0 112.965 169.796 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.54 33.53 0.91 Allowed 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 128.732 2.813 . . . . 0.0 107.943 176.84 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.591 ' HB3' ' HA ' ' A' ' 38' ' ' ILE . 1.0 OUTLIER -64.55 -111.98 0.0 OUTLIER 'General case' 0 N--CA 1.432 -1.333 1 N-CA-C 126.118 5.599 . . . . 0.0 126.118 -153.78 . . . . . . . . 4 4 . 1 . 022 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.437 ' HG ' ' HB2' ' A' ' 41' ' ' GLU . 43.7 mt -96.45 -59.42 1.83 Allowed 'General case' 0 N--CA 1.436 -1.162 0 C-N-CA 127.653 2.381 . . . . 0.0 110.184 -163.216 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.0 m -161.55 -67.04 0.06 Allowed 'General case' 0 C--O 1.228 -0.056 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 175.128 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 34.3 pt -141.68 42.87 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 125.679 1.592 . . . . 0.0 110.417 172.097 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -58.23 -35.63 78.98 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 108.163 -1.975 . . . . 0.0 108.163 168.613 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.6 m -65.41 98.99 0.38 Allowed 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 124.177 0.991 . . . . 0.0 109.969 168.908 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 28.2 mtmm -75.09 64.63 1.4 Allowed 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 127.105 2.162 . . . . 0.0 108.465 174.806 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.0 tm? 73.53 -64.85 0.38 Allowed 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 127.592 2.357 . . . . 0.0 111.274 172.62 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -147.19 42.89 1.12 Allowed 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.74 0.816 . . . . 0.0 109.24 -174.873 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.6 p-10 -77.62 117.94 19.53 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 123.847 0.859 . . . . 0.0 109.747 175.603 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.36 158.73 5.29 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.607 174.706 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -49.62 -41.18 41.62 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 121.201 0.524 . . . . 0.0 110.371 173.012 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 88.0 mt -52.33 -40.42 31.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 124.388 1.075 . . . . 0.0 110.911 174.483 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 92.7 t -81.42 -45.34 20.62 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.302 0 O-C-N 121.95 -0.469 . . . . 0.0 110.035 179.725 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -51.01 -37.74 46.96 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 126.183 1.793 . . . . 0.0 111.145 177.218 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.7 tp -47.23 -42.93 21.32 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 118.701 -0.666 . . . . 0.0 110.174 173.252 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 44.2 ttm -52.75 -49.44 65.49 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.309 0.644 . . . . 0.0 111.168 -179.72 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -56.86 -35.44 68.88 Favored 'General case' 0 CA--C 1.516 -0.328 0 C-N-CA 123.128 0.571 . . . . 0.0 111.594 176.972 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -63.97 -15.83 60.16 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 118.718 -0.658 . . . . 0.0 112.72 178.418 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.511 ' C ' ' H ' ' A' ' 62' ' ' ARG 0.313 37.7 mt -72.57 7.84 1.7 Allowed 'General case' 0 C--N 1.341 0.217 0 N-CA-C 118.339 2.718 . . . . 0.0 118.339 -167.18 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.413 ' OD1' ' NZ ' ' A' ' 64' ' ' LYS . 4.2 p-10 -65.18 -10.52 31.99 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 118.338 -1.345 . . . . 0.0 107.429 156.917 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.511 ' H ' ' C ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -14.03 28.07 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.697 1 C-N-CA 137.519 6.328 . . . . 0.0 121.209 -164.952 . . . . . . . . 4 4 . 1 . 022 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -53.81 -11.57 0.42 Allowed 'General case' 0 CA--C 1.539 0.556 0 O-C-N 120.83 -1.169 . . . . 0.0 113.5 174.599 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.413 ' NZ ' ' OD1' ' A' ' 61' ' ' ASP . 16.5 mttt -46.1 -14.26 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 128.619 2.767 . . . . 0.0 112.434 165.295 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -42.08 -53.29 4.01 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 165.192 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -80.53 144.02 32.81 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 168.089 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -49.29 134.57 18.25 Favored 'General case' 0 C--O 1.232 0.18 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -169.648 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 23.1 t -76.06 83.48 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 CA-C-O 122.078 0.942 . . . . 0.0 110.348 -169.128 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 -74.55 166.79 22.95 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 106.861 -1.533 . . . . 0.0 106.861 166.528 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -50.81 -45.22 59.28 Favored 'General case' 0 C--O 1.222 -0.388 0 O-C-N 121.784 -0.573 . . . . 0.0 109.688 -179.662 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -42.0 -42.66 2.91 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.679 1.192 . . . . 0.0 112.445 175.132 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -87.54 -44.21 11.44 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 119.176 0.898 . . . . 0.0 111.312 -170.886 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -49.02 -41.91 36.38 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 167.401 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 12.8 mm -64.83 -53.55 40.45 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 CA-C-O 117.082 -1.437 . . . . 0.0 112.125 173.651 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 37.5 m -41.59 -52.94 3.65 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 121.304 1.865 . . . . 0.0 110.115 178.162 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -57.63 -55.91 28.68 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 125.733 1.613 . . . . 0.0 112.051 176.552 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.7 mt -49.88 -48.77 51.2 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.28 0.491 . . . . 0.0 110.648 176.565 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.87 -47.22 80.6 Favored Glycine 0 CA--C 1.526 0.729 0 C-N-CA 125.509 1.528 . . . . 0.0 111.463 178.666 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.63 -51.21 57.52 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 122.647 0.379 . . . . 0.0 110.953 176.758 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.5 mp -69.97 -47.8 60.83 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 122.19 -0.319 . . . . 0.0 111.598 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -38.39 -54.55 1.45 Allowed 'General case' 0 C--O 1.236 0.369 0 C-N-CA 127.338 2.255 . . . . 0.0 113.311 -173.536 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 74.0 mtm -39.99 -48.98 2.47 Favored 'General case' 0 C--N 1.339 0.144 0 O-C-N 124.385 1.053 . . . . 0.0 110.631 176.822 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 38.3 mm -88.37 -70.91 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 C-N-CA 125.311 1.444 . . . . 0.0 109.806 -175.826 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . 0.267 0.0 OUTLIER -65.75 -24.16 66.89 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -166.622 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -91.39 -61.81 1.57 Allowed 'General case' 0 C--N 1.341 0.215 0 CA-C-N 118.967 0.803 . . . . 0.0 111.449 178.727 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.447 ' OE2' ' NZ ' ' A' ' 89' ' ' LYS . 0.7 OUTLIER -108.96 -20.83 12.9 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 -166.134 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 47.62 32.87 2.67 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.049 0.54 . . . . 0.0 109.564 -166.303 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 78.3 mt 29.28 73.1 0.05 OUTLIER 'General case' 0 C--N 1.347 0.496 0 C-N-CA 127.948 2.499 . . . . 0.0 110.419 -167.907 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.447 ' NZ ' ' OE2' ' A' ' 86' ' ' GLU . 0.0 OUTLIER 64.2 74.03 0.42 Allowed 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 126.015 1.726 . . . . 0.0 109.454 -167.924 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.405 0 N-CA-C 109.722 -1.351 . . . . 0.0 109.722 169.697 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.423 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.14 -58.93 1.79 Allowed 'General case' 0 N--CA 1.459 -0.024 0 CA-C-N 119.021 0.828 . . . . 0.0 112.206 -168.813 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 11.4 t -77.89 145.39 70.03 Favored Pre-proline 0 C--N 1.324 -0.523 0 C-N-CA 124.706 1.203 . . . . 0.0 108.819 179.581 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -56.83 -33.75 95.26 Favored 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 121.721 1.614 . . . . 0.0 110.803 169.892 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 59.0 mt -67.45 -52.95 33.33 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 178.796 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -44.12 96.08 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 -178.496 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -53.6 -51.56 62.65 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.655 0.782 . . . . 0.0 110.687 172.511 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.52 -50.1 72.83 Favored 'General case' 0 C--O 1.234 0.263 0 O-C-N 121.749 -0.594 . . . . 0.0 111.619 179.911 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 33.1 mm -59.03 -45.92 92.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 176.491 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.98 -45.28 50.76 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 124.18 0.895 . . . . 0.0 110.96 174.075 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.2 tp -66.5 -62.53 1.42 Allowed 'General case' 0 N--CA 1.445 -0.687 0 O-C-N 121.855 -0.791 . . . . 0.0 110.513 -179.773 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 80.7 mt -68.78 -56.83 6.79 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 119.136 -1.026 . . . . 0.0 109.985 -173.718 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -90.95 -32.22 5.28 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-O 118.209 -0.901 . . . . 0.0 111.365 -171.411 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.62 -62.32 5.9 Favored Glycine 0 C--N 1.34 0.801 0 N-CA-C 108.437 -1.865 . . . . 0.0 108.437 -178.301 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 45.7 mt -42.27 -40.75 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.156 0 C-N-CA 123.559 0.744 . . . . 0.0 111.118 174.142 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -49.47 -58.29 5.45 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 -177.171 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -90.24 -7.3 53.83 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 176.736 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -62.56 -55.03 31.12 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 106.812 -1.551 . . . . 0.0 106.812 167.908 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 9.1 m-30 -64.92 133.16 51.2 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 176.41 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.7 t 52.59 17.13 0.75 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.345 1.858 . . . . 0.0 115.934 -169.376 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -156.56 -19.06 0.04 OUTLIER Glycine 0 C--N 1.34 0.794 0 C-N-CA 117.94 -2.076 . . . . 0.0 117.395 -169.771 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp 51.78 43.56 29.95 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.089 1.444 . . . . 0.0 111.051 -174.855 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 72.0 -69.63 0.18 Allowed 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 127.433 2.293 . . . . 0.0 110.749 178.703 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 25.09 -106.38 0.01 OUTLIER Glycine 0 CA--C 1.532 1.095 0 C-N-CA 127.089 2.28 . . . . 0.0 113.583 -179.46 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -111.42 -120.62 0.29 Allowed 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.856 2.062 . . . . 0.0 111.193 -174.503 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -109.93 109.4 20.0 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 125.066 1.346 . . . . 0.0 108.886 -172.352 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -139.6 126.76 21.16 Favored 'General case' 0 C--N 1.339 0.125 0 C-N-CA 123.308 0.643 . . . . 0.0 110.027 -179.672 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 18.9 p -83.85 172.86 11.75 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 126.338 1.855 . . . . 0.0 108.925 169.966 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 6.3 mp -103.22 150.35 23.79 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 118.242 0.473 . . . . 0.0 110.167 176.304 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 18.6 p -120.53 171.52 8.49 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 126.587 1.955 . . . . 0.0 108.414 169.833 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 31.0 tttp -52.38 -30.28 28.18 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -171.052 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.522 ' HZ3' ' CD ' ' B' ' 33' ' ' GLU . 20.1 pttm -64.39 -31.38 72.57 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 -174.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 0.522 ' CD ' ' HZ3' ' B' ' 32' ' ' LYS . 0.8 OUTLIER -91.05 -31.87 16.11 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 119.128 0.876 . . . . 0.0 110.031 171.319 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -51.72 -41.43 61.5 Favored 'General case' 0 C--O 1.225 -0.214 0 CA-C-N 118.554 0.616 . . . . 0.0 110.041 171.122 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -41.25 -43.72 2.46 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.397 0.679 . . . . 0.0 112.72 170.188 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -77.73 -53.4 7.57 Favored 'General case' 0 N--CA 1.454 -0.231 0 O-C-N 122.013 -0.429 . . . . 0.0 110.353 176.865 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 tt -45.66 -49.85 14.05 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.765 1.626 . . . . 0.0 109.878 -175.046 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 5.9 pt -71.86 -17.24 19.16 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -174.357 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -88.1 -58.94 2.38 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 172.209 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -82.2 -82.85 0.13 Allowed 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 123.886 0.875 . . . . 0.0 111.69 -172.365 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -51.56 -34.73 37.98 Favored 'General case' 0 CA--C 1.528 0.122 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -167.47 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 37.2 mt -64.22 -5.82 5.65 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 119.612 1.096 . . . . 0.0 113.898 176.586 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 10.5 m 46.0 -107.96 0.16 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.184 1.793 . . . . 0.0 113.549 167.661 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 44.4 mm -71.21 -18.63 20.54 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 O-C-N 121.35 -0.844 . . . . 0.0 111.284 -174.678 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.42 -52.13 23.18 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 109.34 -1.504 . . . . 0.0 109.34 169.863 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 37.8 p -75.68 -68.51 0.56 Allowed 'General case' 0 N--CA 1.448 -0.556 0 O-C-N 122.555 -0.38 . . . . 0.0 110.456 -174.687 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? 55.69 27.83 11.23 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.305 1.042 . . . . 0.0 110.105 -171.875 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 56.8 mt 50.75 37.58 17.18 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.501 1.12 . . . . 0.0 111.845 -169.165 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 6.7 tm0? -163.77 87.99 0.53 Allowed 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 125.388 1.475 . . . . 0.0 107.807 -177.078 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -80.6 -152.94 0.09 Allowed 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 169.964 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -167.9 172.22 9.18 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 126.744 2.018 . . . . 0.0 105.997 -175.285 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -44.65 88.69 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 119.307 0.958 . . . . 0.0 108.586 171.1 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 35.1 mm -53.73 -44.34 58.64 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 122.696 0.399 . . . . 0.0 110.337 174.264 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 86.4 t -71.47 -42.0 72.89 Favored 'Isoleucine or valine' 0 C--N 1.338 0.098 0 O-C-N 121.598 -0.689 . . . . 0.0 109.598 -179.831 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -28.87 68.71 Favored 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 121.74 -0.6 . . . . 0.0 111.42 -174.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 55.2 tp -50.53 -37.92 41.84 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.511 -0.743 . . . . 0.0 109.884 168.621 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 10.1 tmm? -84.81 -56.98 3.3 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.786 0.834 . . . . 0.0 111.505 176.404 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . 0.262 0.7 OUTLIER -62.22 -45.56 92.82 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 119.891 1.223 . . . . 0.0 114.099 -168.584 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -72.9 20.48 0.08 Allowed 'General case' 0 N--CA 1.44 -0.938 0 O-C-N 121.79 -0.569 . . . . 0.0 110.977 175.176 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 12.0 mt -54.34 -24.54 19.77 Favored 'General case' 0 C--N 1.346 0.45 0 O-C-N 119.482 -2.011 . . . . 0.0 109.99 166.22 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.62 -25.51 0.48 Allowed 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 123.813 0.845 . . . . 0.0 112.539 168.298 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 11.8 ptp85 -43.31 -19.22 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 169.15 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -30.01 -41.13 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 126.988 2.115 . . . . 0.0 112.794 167.92 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . 0.289 3.2 ptmm? 65.15 -59.47 0.26 Allowed 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 127.757 2.423 . . . . 0.0 115.872 172.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -59.54 -40.58 87.7 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 119.321 0.964 . . . . 0.0 109.204 -173.815 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -129.23 121.36 27.45 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 101.911 -3.366 . . . . 0.0 101.911 163.92 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -69.63 -76.02 0.1 Allowed 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 119.025 0.83 . . . . 0.0 109.542 -172.8 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 1.6 t -139.97 104.92 1.98 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 121.592 0.71 . . . . 0.0 111.502 171.741 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -89.53 168.34 12.25 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.225 1.01 . . . . 0.0 108.328 167.35 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -55.29 -40.93 71.66 Favored 'General case' 0 C--O 1.225 -0.212 0 C-N-CA 123.509 0.724 . . . . 0.0 111.914 -169.393 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -56.89 -59.08 5.57 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 179.331 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -56.69 -52.24 65.7 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 122.949 0.5 . . . . 0.0 110.461 -178.2 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -44.39 -59.46 2.4 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 125.586 1.554 . . . . 0.0 109.771 175.543 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 74' ' ' ILE . . . . . 0.43 HD13 ' HA ' ' B' ' 74' ' ' ILE . 2.8 mm -59.15 -41.81 84.82 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 C-N-CA 123.681 0.793 . . . . 0.0 111.296 178.684 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 44.9 m -61.38 -49.32 77.39 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 118.843 0.747 . . . . 0.0 109.241 -176.323 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . 0.307 5.0 p90 -70.84 -37.44 73.15 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 122.01 -0.431 . . . . 0.0 112.034 -178.769 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 31.2 mt -55.55 -48.09 75.32 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.789 -0.569 . . . . 0.0 109.669 168.489 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.99 -45.92 79.45 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 125.975 1.75 . . . . 0.0 111.973 179.046 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.95 -51.72 55.14 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.732 0.266 . . . . 0.0 110.593 174.781 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 27.1 mt -63.9 -40.0 95.48 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 121.795 -0.566 . . . . 0.0 111.645 175.283 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.408 ' HA ' ' CE1' ' B' ' 84' ' ' TYR . . . -51.66 -47.02 63.95 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.726 0.81 . . . . 0.0 111.046 -178.09 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 82' ' ' MET . . . . . 0.414 ' HG2' HD11 ' B' ' 88' ' ' LEU . 30.5 mtp -50.55 -65.65 0.52 Allowed 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 121.263 0.554 . . . . 0.0 109.914 172.902 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.81 -53.79 40.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 123.948 0.899 . . . . 0.0 110.742 -170.007 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 84' ' ' TYR . . . . . 0.408 ' CE1' ' HA ' ' B' ' 81' ' ' ALA . 0.0 OUTLIER -77.46 -5.73 50.96 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -171.503 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -90.66 -100.1 0.1 Allowed 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 178.039 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.75 24.88 5.37 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 125.339 1.455 . . . . 0.0 111.671 175.174 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . 49.09 35.22 6.72 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 122.874 0.47 . . . . 0.0 109.919 -175.001 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.414 HD11 ' HG2' ' B' ' 82' ' ' MET . 27.1 mt 63.97 45.34 4.29 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.404 1.081 . . . . 0.0 110.11 -179.831 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? 60.25 42.46 15.13 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 125.277 1.431 . . . . 0.0 108.27 -176.64 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.411 0 N-CA-C 109.689 -1.364 . . . . 0.0 109.689 -169.055 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 98.1 mt . . . . . 0 CA--C 1.534 0.35 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.52 -47.87 28.83 Favored Glycine 0 CA--C 1.528 0.87 0 C-N-CA 124.372 0.987 . . . . 0.0 111.407 173.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 52.8 tp -63.36 -49.17 74.91 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 117.768 0.784 . . . . 0.0 110.544 179.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.1 mp -54.1 -50.34 67.06 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.927 0.785 . . . . 0.0 110.612 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 90.1 mt -63.02 -46.02 97.35 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 122.75 0.42 . . . . 0.0 109.878 177.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.5 -45.48 93.02 Favored Glycine 0 CA--C 1.522 0.523 0 C-N-CA 125.186 1.374 . . . . 0.0 111.383 -178.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 20.4 mm -65.99 -53.93 32.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 177.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -40.56 -60.06 1.21 Allowed 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.68 0.792 . . . . 0.0 111.148 172.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . 0.251 2.2 m-70 -90.84 21.77 3.95 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 178.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -50.0 65.53 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 168.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -80.38 57.8 2.93 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 125.147 1.379 . . . . 0.0 108.152 -177.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 N--CA 1.452 -0.348 0 C-N-CA 124.234 1.014 . . . . 0.0 109.177 178.948 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.6 pttp . . . . . 0 N--CA 1.444 -0.735 0 CA-C-O 119.062 -0.494 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.0 p80 -71.94 -50.09 32.01 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 119.901 1.228 . . . . 0.0 111.214 -177.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -111.58 -168.06 1.26 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.235 1.814 . . . . 0.0 107.207 174.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -136.29 119.43 16.57 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 -179.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.3 p -62.74 150.28 41.68 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.1 0.476 . . . . 0.0 112.06 -171.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.0 mmtm -48.77 -58.18 5.19 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.732 0.813 . . . . 0.0 110.563 170.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.8 -30.95 71.98 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 120.438 -0.505 . . . . 0.0 111.286 -170.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -69.42 -45.48 69.08 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 118.759 0.709 . . . . 0.0 110.804 169.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.0 tt -55.97 -38.44 70.4 Favored 'General case' 0 N--CA 1.462 0.144 0 O-C-N 120.986 -1.071 . . . . 0.0 110.875 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.425 ' NZ ' ' OD1' ' A' ' 59' ' ' ASP . 41.5 mmtt -60.11 -9.55 3.36 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 113.437 0.902 . . . . 0.0 113.437 179.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -78.55 -49.57 13.09 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 120.11 1.323 . . . . 0.0 110.413 169.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tt -45.73 -60.42 2.22 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 126.108 1.763 . . . . 0.0 109.284 176.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.1 tt -58.48 -46.59 89.63 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.485 -170.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -65.15 -59.53 4.01 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 120.055 -0.658 . . . . 0.0 110.758 -176.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.9 mmtm -97.15 -64.77 1.01 Allowed 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 115.884 1.809 . . . . 0.0 115.884 -175.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -78.75 14.53 1.3 Allowed 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 116.531 2.048 . . . . 0.0 116.531 -165.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.88 22.95 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 117.537 2.421 . . . . 0.0 117.537 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 69.09 -71.72 0.12 Allowed 'General case' 0 CA--C 1.531 0.223 0 O-C-N 120.167 -1.583 . . . . 0.0 112.593 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 15.2 tt . . . . . 0 C--O 1.237 0.402 0 C-N-CA 124.594 1.157 . . . . 0.0 110.811 -170.666 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.4 mt . . . . . 0 CA--C 1.537 0.45 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 16.1 tpt -71.26 -60.02 2.46 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 118.707 0.685 . . . . 0.0 109.918 169.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.531 ' C ' ' H ' ' A' ' 60' ' ' LEU . 38.6 t70 -72.97 7.92 1.81 Allowed 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 126.56 1.944 . . . . 0.0 115.114 -176.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.425 ' OD1' ' NZ ' ' A' ' 35' ' ' LYS . 20.3 t70 -66.99 28.76 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 128.946 2.899 . . . . 0.0 109.119 163.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.531 ' H ' ' C ' ' A' ' 58' ' ' ASP . 48.1 mt -60.52 -6.47 1.63 Allowed 'General case' 0 C--N 1.344 0.367 0 C-N-CA 128.303 2.641 . . . . 0.0 111.496 -179.015 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -52.82 -20.65 3.4 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.629 0.728 . . . . 0.0 110.147 164.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.409 ' NH1' ' HB3' ' A' ' 59' ' ' ASP . 43.0 mtm-85 -54.04 -18.09 3.27 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 168.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -28.6 -70.39 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 127.461 2.304 . . . . 0.0 117.116 -167.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.403 ' NZ ' ' OE2' ' A' ' 72' ' ' GLU . 11.9 pttp -150.15 -53.46 0.15 Allowed 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 119.225 0.92 . . . . 0.0 112.744 -171.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.93 -22.37 61.48 Favored 'General case' 0 N--CA 1.461 0.116 0 C-N-CA 124.342 1.057 . . . . 0.0 111.318 -168.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 68.7 -71.94 0.11 Allowed 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 126.449 1.9 . . . . 0.0 108.161 -168.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -80.59 79.5 7.21 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 106.581 -1.637 . . . . 0.0 106.581 176.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.0 m -54.52 161.26 0.47 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.127 0 C-N-CA 125.618 1.567 . . . . 0.0 114.541 -169.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -95.08 179.3 5.26 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 125.079 1.352 . . . . 0.0 108.156 175.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -59.05 -33.2 70.5 Favored 'General case' 0 C--O 1.224 -0.256 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 168.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.47 -64.84 0.68 Allowed 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 123.55 0.74 . . . . 0.0 111.392 178.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.403 ' OE2' ' NZ ' ' A' ' 64' ' ' LYS . 27.9 mp0 -62.92 -44.86 94.94 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 119.546 1.066 . . . . 0.0 109.664 -171.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -42.66 -68.13 0.22 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.829 1.251 . . . . 0.0 110.133 170.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 9.5 tp -70.78 -25.81 26.94 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.309 0 O-C-N 121.745 -0.597 . . . . 0.0 111.108 -171.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 91.7 m -59.92 -56.88 16.3 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 118.74 0.7 . . . . 0.0 109.69 173.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.01 -44.51 72.65 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 122.237 -0.289 . . . . 0.0 110.315 -175.163 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 39.1 mt -58.52 -37.46 75.69 Favored 'General case' 0 C--O 1.224 -0.248 0 O-C-N 121.747 -0.596 . . . . 0.0 111.065 172.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.34 -49.77 74.95 Favored Glycine 0 CA--C 1.525 0.674 0 C-N-CA 124.42 1.009 . . . . 0.0 110.774 175.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.84 -51.86 59.35 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 122.531 0.332 . . . . 0.0 110.253 175.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 97.7 mt -59.8 -42.29 93.11 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 122.122 -0.361 . . . . 0.0 111.469 177.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.17 -38.65 83.84 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.564 0.746 . . . . 0.0 110.778 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 8.0 ttt -53.02 -28.49 24.45 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 119.533 -0.27 . . . . 0.0 111.158 172.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 21.5 mm -88.62 -67.12 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 C-N-CA 123.512 0.725 . . . . 0.0 109.62 174.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -61.91 -29.73 70.41 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 113.523 0.935 . . . . 0.0 113.523 -168.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -91.21 22.9 3.55 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 118.723 -0.656 . . . . 0.0 111.712 178.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 . . . . . 0 CA--C 1.536 0.416 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 -171.699 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.465 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . 0.403 HD12 ' N ' ' B' ' 9' ' ' ILE . 2.0 mp -68.26 -40.13 82.16 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 N-CA-C 107.929 -1.138 . . . . 0.0 107.929 174.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -41.74 -39.45 2.65 Favored Glycine 0 CA--C 1.529 0.947 0 C-N-CA 125.664 1.602 . . . . 0.0 112.6 169.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 85.1 mt -61.17 -46.41 90.63 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 119.602 1.701 . . . . 0.0 110.97 174.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 54.7 mt -63.94 -44.86 91.56 Favored 'General case' 0 C--O 1.234 0.286 0 O-C-N 121.689 -0.632 . . . . 0.0 109.809 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 81.8 mt -57.29 -40.71 75.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 C-N-CA 123.335 0.654 . . . . 0.0 109.591 171.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.23 -62.13 6.63 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 126.038 1.78 . . . . 0.0 110.094 176.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.9 mp -56.76 -48.44 81.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-N 118.852 1.326 . . . . 0.0 109.411 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . 0.453 ' CE2' ' CE1' ' B' ' 17' ' ' HIS . 53.4 t80 -43.3 -66.91 0.32 Allowed 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 123.661 0.784 . . . . 0.0 110.863 174.116 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . 0.453 ' CE1' ' CE2' ' B' ' 16' ' ' PHE . 1.5 m-70 -85.33 0.71 51.2 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 115.948 1.832 . . . . 0.0 115.948 -175.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -59.17 -48.92 79.82 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 106.01 -1.848 . . . . 0.0 106.01 166.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -76.63 50.22 0.67 Allowed 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 122.358 1.075 . . . . 0.0 110.883 171.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 16.1 m -142.97 -1.37 1.09 Allowed 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 123.613 0.765 . . . . 0.0 111.405 167.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 108.774 -1.731 . . . . 0.0 108.774 170.594 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.54 0.57 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 34.0 p80 -106.0 -172.05 2.02 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 121.117 -0.989 . . . . 0.0 111.094 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 1.3 p -43.68 141.47 1.5 Allowed 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 127.288 2.235 . . . . 0.0 110.629 173.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 8.2 mp -71.41 100.83 2.27 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 174.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.7 m -84.95 90.33 7.79 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 122.97 0.508 . . . . 0.0 110.714 -170.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 18.5 mttp 64.79 -82.68 0.03 OUTLIER 'General case' 0 C--O 1.232 0.152 0 C-N-CA 124.924 1.289 . . . . 0.0 113.115 169.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -51.97 -44.56 64.05 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.648 0.779 . . . . 0.0 109.507 -172.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -52.76 -50.01 64.37 Favored 'General case' 0 N--CA 1.437 -1.106 0 C-N-CA 124.032 0.933 . . . . 0.0 110.579 176.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.567 HD23 HG21 ' B' ' 68' ' ' VAL . 0.5 OUTLIER -67.45 -45.96 74.48 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 118.894 -1.123 . . . . 0.0 108.991 -175.504 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 58.2 mmtt -67.36 -26.24 66.38 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 119.568 -0.853 . . . . 0.0 110.799 -175.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -73.96 -35.92 64.57 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.846 0.858 . . . . 0.0 112.006 171.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.2 tt -68.4 -57.29 6.11 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 125.298 1.439 . . . . 0.0 110.776 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 19.4 tt -53.67 -36.45 29.0 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 C-N-CA 123.434 0.694 . . . . 0.0 112.682 -169.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -74.32 -19.48 60.45 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -93.23 -100.31 0.13 Allowed 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 178.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -86.73 -30.26 21.76 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 115.631 1.715 . . . . 0.0 115.631 -166.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -29.04 -61.63 0.13 Allowed 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 116.649 2.092 . . . . 0.0 116.649 -167.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 80.1 p -81.42 -110.19 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 120.88 0.371 . . . . 0.0 110.15 -169.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 7.1 mt -86.57 51.6 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 O-C-N 120.788 -1.195 . . . . 0.0 109.178 -174.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -171.433 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 . . . . . 0 N--CA 1.467 0.423 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -60.05 -4.32 0.75 Allowed 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.032 0.533 . . . . 0.0 110.141 163.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 59.9 tp -28.13 -30.92 0.0 OUTLIER 'General case' 0 C--N 1.344 0.348 1 C-N-CA 132.606 4.362 . . . . 0.0 114.933 169.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.564 ' HB2' HG22 ' B' ' 68' ' ' VAL . 2.8 p30 -44.33 -25.89 0.28 Allowed 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 122.649 1.214 . . . . 0.0 112.622 168.085 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -38.66 -36.75 0.28 Allowed 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 127.452 2.301 . . . . 0.0 111.674 167.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -41.42 -39.35 1.46 Allowed 'General case' 0 C--N 1.341 0.222 0 C-N-CA 127.459 2.304 . . . . 0.0 113.502 177.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.64 75.95 1.41 Allowed 'General case' 0 C--O 1.235 0.336 0 N-CA-C 105.407 -2.072 . . . . 0.0 105.407 -177.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 31.4 t0 16.95 55.9 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 130.256 3.422 . . . . 0.0 115.735 -174.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 61.31 10.2 2.95 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 115.799 1.777 . . . . 0.0 115.799 164.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.4 85.12 7.11 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 106.491 -1.67 . . . . 0.0 106.491 170.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.567 HG21 HD23 ' B' ' 34' ' ' LEU . 2.3 t -79.25 116.05 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -166.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -78.01 165.7 23.72 Favored 'General case' 0 CA--C 1.527 0.093 0 C-N-CA 124.647 1.179 . . . . 0.0 109.643 169.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -55.41 -45.63 76.7 Favored 'General case' 0 C--O 1.22 -0.455 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 177.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -51.07 -54.99 19.85 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 122.624 0.369 . . . . 0.0 110.803 175.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -59.77 -51.04 71.45 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.592 0.757 . . . . 0.0 109.857 -175.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -49.97 -52.12 36.17 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.663 1.185 . . . . 0.0 110.949 173.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 21.1 mm -61.07 -32.81 53.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 123.597 0.759 . . . . 0.0 110.789 178.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 26.4 m -56.29 -56.85 15.91 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 119.421 1.01 . . . . 0.0 109.91 -179.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.76 -44.61 69.83 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 119.207 -0.425 . . . . 0.0 111.304 -178.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 9.4 mt -50.1 -47.03 54.08 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 118.523 0.601 . . . . 0.0 110.374 174.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.27 -60.28 8.75 Favored Glycine 0 CA--C 1.523 0.567 0 C-N-CA 124.816 1.198 . . . . 0.0 111.49 174.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -49.81 -54.21 20.65 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.007 0.523 . . . . 0.0 110.978 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 42.2 mt -61.86 -48.51 80.21 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 123.571 0.748 . . . . 0.0 111.011 -179.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.26 -40.62 82.3 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 123.658 0.783 . . . . 0.0 110.041 -178.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 11.6 ttt -53.99 -26.11 24.41 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 122.643 0.377 . . . . 0.0 111.531 175.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 32.5 mm -90.85 -69.56 0.62 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 C-N-CA 123.883 0.873 . . . . 0.0 110.156 171.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 17.2 p90 -61.75 -33.38 73.96 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 -168.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -91.39 21.33 4.57 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.652 0.781 . . . . 0.0 111.704 -178.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 . . . . . 0 CA--C 1.54 0.57 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 -169.622 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 92.8 mt . . . . . 0 CA--C 1.534 0.336 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.35 -55.12 13.55 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 123.591 0.615 . . . . 0.0 111.911 176.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 50.4 tp -59.56 -53.28 59.85 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.959 0.904 . . . . 0.0 110.116 -176.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 mp -60.05 -50.96 71.65 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 124.218 1.007 . . . . 0.0 110.952 -176.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 55.6 mt -63.76 -41.68 93.4 Favored 'Isoleucine or valine' 0 C--N 1.339 0.15 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 178.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.21 -60.9 8.04 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 110.744 -0.943 . . . . 0.0 110.744 177.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 81.9 mt -59.36 -37.08 67.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 O-C-N 122.439 -0.448 . . . . 0.0 110.402 -178.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -58.75 -74.87 0.06 Allowed 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 118.777 0.717 . . . . 0.0 110.778 170.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -78.56 -31.05 47.15 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 117.326 2.343 . . . . 0.0 117.326 -164.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.37 -36.89 79.09 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 120.115 1.325 . . . . 0.0 109.65 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -67.65 -7.0 23.15 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.113 0.965 . . . . 0.0 112.076 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 51.1 m . . . . . 0 CA--C 1.54 0.588 0 O-C-N 120.985 -1.072 . . . . 0.0 109.978 167.73 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.6 mmtm . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 105.967 -1.864 . . . . 0.0 105.967 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 52.5 m80 -65.72 -34.37 78.05 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 122.128 -0.357 . . . . 0.0 110.255 -175.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.3 p -97.1 156.97 16.15 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 106.496 -1.668 . . . . 0.0 106.496 166.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.9 mp -71.62 137.97 48.34 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 120.956 -1.09 . . . . 0.0 109.034 175.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.5 p -83.13 50.99 1.85 Allowed 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -169.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 36.4 mttm 67.96 -73.81 0.08 Allowed 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 125.886 1.675 . . . . 0.0 114.401 168.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -38.92 90.95 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.968 -0.458 . . . . 0.0 110.427 -170.082 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 50.6 mp0 -56.11 -35.43 67.05 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 122.433 0.293 . . . . 0.0 110.534 174.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.88 -43.84 97.72 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 119.87 -0.732 . . . . 0.0 110.469 -174.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -62.82 -20.04 64.65 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.658 -0.651 . . . . 0.0 112.273 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -79.29 -51.55 9.3 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 121.56 0.695 . . . . 0.0 109.897 169.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 tt -52.39 -42.45 64.03 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 125.852 1.661 . . . . 0.0 111.639 -176.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 7.0 pt -62.72 -32.65 56.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 120.095 -1.628 . . . . 0.0 112.608 178.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -63.27 -59.27 4.95 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 115.198 1.555 . . . . 0.0 115.198 -165.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.3 mtmm -92.86 -48.49 6.52 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 122.159 0.981 . . . . 0.0 111.27 -166.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -89.77 -49.18 6.78 Favored 'General case' 0 N--CA 1.437 -1.086 0 C-N-CA 127.181 2.193 . . . . 0.0 112.15 -165.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.7 mt -77.79 -70.12 0.5 Allowed 'General case' 0 C--N 1.342 0.26 0 CA-C-N 119.869 1.213 . . . . 0.0 112.241 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 42.0 p -77.01 93.61 3.85 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -163.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.8 mm . . . . . 0 CA--C 1.537 0.47 0 CA-C-O 120.916 0.388 . . . . 0.0 110.181 170.274 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.4 mp . . . . . 0 CA--C 1.54 0.571 0 CA-C-O 119.753 -0.165 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.4 tmm? -67.12 -56.56 9.47 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 171.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -47.1 -53.13 13.5 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 123.911 0.884 . . . . 0.0 110.71 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -65.84 20.96 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.636 1.974 . . . . 0.0 115.897 -167.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 62.8 tp -65.18 -47.46 76.89 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 121.102 -0.999 . . . . 0.0 109.363 168.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -48.26 -39.51 21.75 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 124.42 1.088 . . . . 0.0 110.408 174.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -6.4 1.49 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.171 1.788 . . . . 0.0 114.099 -177.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -27.32 -77.73 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 128.203 2.601 . . . . 0.0 114.025 176.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -79.7 85.13 5.43 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 121.283 -0.886 . . . . 0.0 110.86 -172.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.1 t70 42.14 49.34 4.29 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 126.643 1.977 . . . . 0.0 111.501 177.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 62.11 4.93 1.32 Allowed 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 115.513 1.671 . . . . 0.0 115.513 175.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -99.05 103.73 15.7 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 119.911 1.232 . . . . 0.0 110.572 -178.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.7 m -93.36 141.52 14.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 121.455 0.645 . . . . 0.0 110.795 170.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -104.34 172.71 6.65 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 128.172 2.589 . . . . 0.0 105.622 166.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -54.28 -43.43 71.02 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-O 118.612 -0.709 . . . . 0.0 112.352 -169.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -54.79 -57.36 11.86 Favored 'General case' 0 C--N 1.338 0.107 0 CA-C-N 118.768 0.713 . . . . 0.0 110.542 -178.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.14 -52.32 65.83 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -176.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -47.05 -56.38 6.59 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.51 1.124 . . . . 0.0 111.127 177.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.9 tp -73.85 -39.76 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 CA-C-O 119.338 -0.363 . . . . 0.0 110.185 -171.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 76.4 m -52.59 -52.61 54.42 Favored 'General case' 0 C--N 1.341 0.196 0 C-N-CA 123.391 0.676 . . . . 0.0 109.274 173.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -53.64 -55.45 25.83 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.744 1.218 . . . . 0.0 110.739 175.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.06 -53.34 10.39 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.036 0.534 . . . . 0.0 111.23 173.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.58 -50.62 59.54 Favored Glycine 0 CA--C 1.526 0.729 0 C-N-CA 124.474 1.035 . . . . 0.0 111.43 178.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.42 -52.45 65.58 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 117.267 0.533 . . . . 0.0 110.719 -178.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.2 mp -70.07 -34.07 72.72 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 121.547 -0.72 . . . . 0.0 110.689 -177.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.7 -50.43 73.23 Favored 'General case' 0 N--CA 1.455 -0.186 0 O-C-N 121.785 -0.572 . . . . 0.0 110.582 173.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 66.5 mtp -48.47 -37.16 16.64 Favored 'General case' 0 C--N 1.341 0.205 0 CA-C-N 118.402 0.546 . . . . 0.0 111.333 175.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 92.9 mt -76.39 -65.4 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 C-N-CA 122.782 0.433 . . . . 0.0 110.126 179.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -77.07 -29.52 55.08 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 -168.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -91.15 24.7 2.76 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.108 0.963 . . . . 0.0 113.546 -167.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 . . . . . 0 CA--C 1.533 0.31 0 C-N-CA 126.017 1.727 . . . . 0.0 114.851 -169.876 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.457 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 25.2 mt -70.42 -43.83 77.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 174.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -40.93 -47.07 4.09 Favored Glycine 0 CA--C 1.527 0.81 0 C-N-CA 125.828 1.68 . . . . 0.0 112.236 170.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -53.25 -57.15 11.52 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.444 0.697 . . . . 0.0 109.271 176.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 78.5 mt -58.18 -47.05 84.63 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 122.861 0.464 . . . . 0.0 110.803 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 66.5 mt -52.16 -49.96 38.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 123.625 0.77 . . . . 0.0 109.918 177.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.92 -63.31 4.7 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 178.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.4 mp -52.65 -47.36 49.91 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.198 0 CA-C-O 117.737 -1.125 . . . . 0.0 111.032 -173.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -40.82 -71.04 0.09 Allowed 'General case' 0 C--N 1.342 0.242 0 CA-C-N 119.214 0.916 . . . . 0.0 109.414 176.069 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -79.18 -24.95 42.86 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 119.972 -0.691 . . . . 0.0 111.304 -169.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.45 -32.56 71.5 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 118.37 -1.332 . . . . 0.0 109.977 170.053 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -86.65 34.83 0.66 Allowed 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.913 1.685 . . . . 0.0 110.742 169.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . 0.415 ' HA ' ' H ' ' B' ' 30' ' ' SER . 95.0 p -122.79 24.94 8.89 Favored 'General case' 0 CA--C 1.529 0.171 0 O-C-N 121.101 -0.999 . . . . 0.0 109.463 165.229 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.64 0 N-CA-C 107.328 -2.309 . . . . 0.0 107.328 179.89 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.401 0 CA-C-O 119.413 -0.327 . . . . 0.0 110.357 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -173.55 -154.44 0.07 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 127.122 2.169 . . . . 0.0 107.225 171.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.89 162.57 6.72 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 125.391 1.476 . . . . 0.0 109.831 169.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 5.7 mp -68.44 91.38 0.4 Allowed 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -168.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.415 ' H ' ' HA ' ' B' ' 20' ' ' SER . 4.5 m -51.81 65.96 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 129.522 3.129 . . . . 0.0 118.091 -170.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 26.9 mttm 53.23 -76.92 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 115.859 1.8 . . . . 0.0 115.859 165.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.13 -36.44 72.95 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 121.916 0.865 . . . . 0.0 109.847 177.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -60.36 -48.97 79.47 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.039 173.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 18.7 tp -64.96 -40.95 95.77 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 -177.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -51.15 -50.16 59.46 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.272 0.629 . . . . 0.0 110.107 170.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -55.59 -49.42 72.8 Favored 'General case' 0 C--N 1.339 0.137 0 CA-C-N 118.585 0.63 . . . . 0.0 111.01 174.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.75 -46.3 74.31 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 124.029 0.932 . . . . 0.0 109.845 -175.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . 0.411 HG22 HD12 ' B' ' 42' ' ' LEU . 1.2 pp -70.78 -36.06 63.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 O-C-N 121.956 -0.465 . . . . 0.0 111.839 177.24 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -56.56 -55.33 35.28 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 121.552 0.691 . . . . 0.0 109.353 176.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -92.28 -92.01 0.16 Allowed 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 126.538 1.935 . . . . 0.0 110.268 -169.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 41.3 mp0 -45.75 -51.89 11.89 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 124.892 1.277 . . . . 0.0 113.221 -171.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.411 HD12 HG22 ' B' ' 38' ' ' ILE . 9.1 mt -74.62 9.05 1.96 Allowed 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 113.731 1.011 . . . . 0.0 113.731 -171.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.17 95.0 1.23 Allowed 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 170.013 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 30.6 mm 69.63 -29.61 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 N-CA-C 115.33 1.604 . . . . 0.0 115.33 168.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.718 0 O-C-N 120.56 -1.338 . . . . 0.0 110.058 -171.989 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . 0.424 ' C ' ' H ' ' B' ' 60' ' ' LEU . 0.3 OUTLIER . . . . . 0 CA--C 1.508 -0.656 0 N-CA-C 115.754 1.761 . . . . 0.0 115.754 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.79 26.77 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.211 0 O-C-N 120.918 -1.114 . . . . 0.0 110.936 164.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.424 ' H ' ' C ' ' B' ' 58' ' ' ASP . 60.6 tp -47.26 -32.14 4.34 Favored 'General case' 0 C--N 1.343 0.325 0 O-C-N 118.542 -2.599 . . . . 0.0 110.601 169.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -36.66 -35.69 0.09 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 129.003 2.921 . . . . 0.0 110.544 167.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 11.8 ptp85 -42.16 -42.04 2.87 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.4 1.08 . . . . 0.0 111.965 176.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -43.87 -38.35 3.29 Favored 'General case' 0 C--N 1.34 0.153 0 C-N-CA 126.104 1.762 . . . . 0.0 112.262 178.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.78 54.52 1.5 Allowed 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 46.61 42.02 10.71 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.989 1.315 . . . . 0.0 112.673 172.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 56.25 28.38 13.18 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.865 1.266 . . . . 0.0 112.432 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -148.27 82.34 1.48 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 122.521 1.153 . . . . 0.0 109.077 -172.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 29.3 m -78.44 154.76 5.04 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.697 0 CA-C-N 114.462 -1.245 . . . . 0.0 113.885 -168.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -105.22 171.06 7.52 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 129.081 2.952 . . . . 0.0 107.453 168.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -48.44 -45.25 36.2 Favored 'General case' 0 C--N 1.343 0.285 0 C-N-CA 124.919 1.287 . . . . 0.0 112.854 -169.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -60.76 -55.44 33.15 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 -175.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -65.74 -49.85 66.91 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 -174.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -41.02 -53.85 2.9 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 126.033 1.733 . . . . 0.0 110.234 171.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 6.3 mm -65.04 -60.52 2.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-O 118.665 -0.683 . . . . 0.0 110.718 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 96.7 m -45.32 -48.47 13.16 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 122.687 1.232 . . . . 0.0 109.473 -174.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -56.54 -61.44 2.41 Favored 'General case' 0 N--CA 1.437 -1.077 0 C-N-CA 126.263 1.825 . . . . 0.0 112.42 174.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.0 -39.08 71.34 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 118.438 0.563 . . . . 0.0 110.466 -177.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.56 -51.36 59.29 Favored Glycine 0 CA--C 1.527 0.816 0 C-N-CA 124.847 1.213 . . . . 0.0 112.179 172.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.66 -51.09 64.27 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 117.017 0.409 . . . . 0.0 110.464 178.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.27 -44.58 91.28 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 120.49 0.186 . . . . 0.0 110.535 178.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.13 -47.63 68.52 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 124.063 0.945 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 63.8 mtm -55.41 -19.61 9.73 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 175.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 35.5 mm -89.15 -66.46 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-N 119.605 1.093 . . . . 0.0 109.428 173.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -83.47 -37.18 23.47 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 -169.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -90.81 27.38 1.8 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.992 1.717 . . . . 0.0 111.759 -169.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 . . . . . 0 N--CA 1.448 -0.533 0 CA-C-O 123.727 1.727 . . . . 0.0 115.131 -171.168 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 40.5 mm . . . . . 0 C--O 1.235 0.292 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.39 -50.91 28.43 Favored Glycine 0 CA--C 1.528 0.89 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 173.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 46.6 mt -62.23 -43.17 99.44 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 117.967 -1.016 . . . . 0.0 111.287 178.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.4 mt -58.16 -46.98 84.77 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 120.463 1.483 . . . . 0.0 110.153 -175.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 83.0 mt -68.33 -50.39 57.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 124.252 1.021 . . . . 0.0 109.986 177.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.09 -53.07 47.93 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 124.078 0.846 . . . . 0.0 112.088 -173.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.0 tt -65.48 -30.34 49.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 O-C-N 121.928 -0.748 . . . . 0.0 111.051 -174.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -44.65 -65.76 0.48 Allowed 'General case' 0 C--O 1.225 -0.234 0 C-N-CA 123.901 0.88 . . . . 0.0 113.091 -169.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -79.61 -8.21 59.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 118.856 -0.592 . . . . 0.0 111.759 178.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 tpmp? -71.12 -54.11 12.22 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 174.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -76.54 88.21 3.26 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 106.288 -1.745 . . . . 0.0 106.288 176.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.3 p . . . . . 0 C--N 1.324 -0.512 0 C-N-CA 128.892 2.877 . . . . 0.0 106.335 -169.908 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? . . . . . 0 N--CA 1.449 -0.477 0 CA-C-O 121.277 0.561 . . . . 0.0 110.21 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -142.93 -46.06 0.31 Allowed 'General case' 0 C--O 1.225 -0.2 0 C-N-CA 124.565 1.146 . . . . 0.0 109.99 -176.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.31 142.43 55.53 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 125.18 1.392 . . . . 0.0 112.064 -175.181 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.0 mt -67.75 82.67 0.19 Allowed 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 125.708 1.603 . . . . 0.0 109.416 -177.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.1 m -69.59 77.72 0.42 Allowed 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 125.205 1.402 . . . . 0.0 112.83 -169.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.284 0.1 OUTLIER 50.08 -72.68 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 128.68 2.792 . . . . 0.0 114.953 170.042 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.74 -25.7 68.04 Favored 'General case' 0 N--CA 1.453 -0.285 0 O-C-N 121.277 -0.889 . . . . 0.0 109.851 175.258 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -72.73 -46.25 54.51 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -56.62 -52.02 66.46 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 173.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.07 -38.54 57.52 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.784 0.834 . . . . 0.0 111.542 176.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -62.65 -59.39 4.97 Favored 'General case' 0 C--O 1.232 0.156 0 O-C-N 121.046 -1.034 . . . . 0.0 109.875 175.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.86 -55.42 14.36 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 124.542 1.137 . . . . 0.0 111.119 -175.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.8 tt -66.0 -44.9 92.04 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.534 -175.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -69.6 -47.13 64.56 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 -174.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -90.68 -53.13 4.54 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -169.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -91.0 -54.34 4.0 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 -165.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.0 mt -49.91 -75.88 0.03 OUTLIER 'General case' 0 C--O 1.233 0.208 0 N-CA-C 116.469 2.026 . . . . 0.0 116.469 -165.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 66.2 p -53.29 -18.89 2.74 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 116.032 1.864 . . . . 0.0 116.032 -166.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 23.8 pt . . . . . 0 N--CA 1.449 -0.478 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -175.244 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.5 tp . . . . . 0 N--CA 1.454 -0.225 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 44.3 tpp -58.64 -51.89 67.99 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 121.088 0.47 . . . . 0.0 110.255 177.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.88 -33.82 57.58 Favored 'General case' 0 C--N 1.333 -0.109 0 C-N-CA 123.801 0.84 . . . . 0.0 112.079 173.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.06 5.96 0.45 Allowed 'General case' 0 C--O 1.22 -0.484 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 175.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 60.9 tp -54.23 -21.23 8.5 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 119.702 -1.874 . . . . 0.0 111.112 167.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -60.34 -16.23 33.06 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 169.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . 0.253 0.0 OUTLIER -29.03 -27.6 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 129.136 2.974 . . . . 0.0 117.921 -168.646 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -44.12 -44.81 7.85 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 116.907 -1.521 . . . . 0.0 111.007 168.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.0 mttp 32.81 58.8 0.43 Allowed 'General case' 0 CA--C 1.535 0.391 0 O-C-N 124.614 1.196 . . . . 0.0 110.161 169.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.25 29.31 0.05 Allowed 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 125.606 1.562 . . . . 0.0 114.64 -165.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 63.37 153.24 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 128.201 2.6 . . . . 0.0 112.236 -175.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 37.46 49.98 1.04 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.853 1.661 . . . . 0.0 112.412 173.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 32.9 m -74.96 157.34 6.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-O 121.328 0.585 . . . . 0.0 110.721 -171.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -106.94 168.75 8.98 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.022 1.729 . . . . 0.0 110.834 -169.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -56.48 -37.27 70.13 Favored 'General case' 0 C--O 1.219 -0.542 0 C-N-CA 123.747 0.819 . . . . 0.0 111.697 -173.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.57 -57.03 14.12 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 119.513 1.052 . . . . 0.0 110.174 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -54.95 -59.99 3.98 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 -177.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -45.57 -60.74 2.02 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 126.087 1.755 . . . . 0.0 111.087 177.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 8.0 tp -68.87 -37.36 77.26 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.229 0 C-N-CA 123.768 0.827 . . . . 0.0 110.744 -170.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 56.9 m -63.54 -48.94 75.45 Favored 'General case' 0 CA--C 1.528 0.101 0 CA-C-N 118.603 0.638 . . . . 0.0 109.448 178.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -52.11 -56.73 12.58 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.481 0.712 . . . . 0.0 110.737 171.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.43 -37.88 27.28 Favored 'General case' 0 C--O 1.222 -0.392 0 C-N-CA 124.208 1.003 . . . . 0.0 111.436 174.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.4 -51.79 20.53 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.46 -1.056 . . . . 0.0 110.46 174.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.31 -55.97 25.71 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 117.781 0.791 . . . . 0.0 110.316 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 65.9 mt -51.88 -49.71 62.45 Favored 'General case' 0 C--O 1.223 -0.29 0 C-N-CA 123.31 0.644 . . . . 0.0 110.166 -176.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.415 ' HA ' ' CE1' ' A' ' 84' ' ' TYR . . . -73.2 -45.06 58.51 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 125.295 1.438 . . . . 0.0 111.372 -172.058 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -49.69 -53.11 26.41 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 173.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 92.6 mt -68.36 -58.04 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 O-C-N 124.594 1.184 . . . . 0.0 109.876 -175.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.415 ' CE1' ' HA ' ' A' ' 81' ' ' ALA 0.401 0.0 OUTLIER -71.61 -18.94 62.18 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 -169.377 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 -90.98 -100.57 0.11 Allowed 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 104.293 -2.484 . . . . 0.0 104.293 166.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.519 -0.249 0 C-N-CA 129.254 3.022 . . . . 0.0 103.293 166.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.215 0 CA-C-O 119.374 -0.346 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 22.3 mt -58.36 -46.45 89.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 177.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.3 -50.26 47.57 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.301 -0.719 . . . . 0.0 111.301 175.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 47.9 tp -63.33 -55.91 20.76 Favored 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 121.768 -0.843 . . . . 0.0 110.263 -178.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 85.7 mt -63.59 -69.15 0.29 Allowed 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 -178.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 4.1 mm -90.54 -24.5 5.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-O 118.148 -0.929 . . . . 0.0 112.798 -169.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.23 -50.7 43.33 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 108.782 -1.727 . . . . 0.0 108.782 -179.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 32.2 mt -61.72 -50.22 81.14 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 C-N-CA 122.646 0.378 . . . . 0.0 111.363 175.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -28.94 -76.17 0.02 OUTLIER 'General case' 0 C--N 1.341 0.204 0 C-N-CA 126.325 1.85 . . . . 0.0 114.234 -166.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -76.16 -17.9 59.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.409 -172.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm -67.55 -35.56 79.29 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 118.765 0.711 . . . . 0.0 110.225 -173.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -74.88 72.72 2.09 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-O 123.142 1.449 . . . . 0.0 108.609 175.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 7.0 t -175.72 -31.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 128.005 2.522 . . . . 0.0 108.248 -168.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.762 0 N-CA-C 108.68 -1.768 . . . . 0.0 108.68 -173.375 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 21.7 ttpp . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 121.823 0.821 . . . . 0.0 108.869 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -53.62 -33.5 55.27 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.26 0.624 . . . . 0.0 110.831 170.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 5.3 p -74.43 148.08 41.45 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.372 1.069 . . . . 0.0 111.788 -177.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.465 ' N ' HD12 ' B' ' 29' ' ' LEU . 2.0 mp -85.54 138.72 32.01 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 104.912 -2.255 . . . . 0.0 104.912 169.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.31 165.59 20.22 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 119.095 -1.042 . . . . 0.0 108.915 170.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.518 ' HZ2' ' CG ' ' B' ' 61' ' ' ASP . 31.3 mttm -75.84 62.52 1.57 Allowed 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 121.958 0.885 . . . . 0.0 110.191 178.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -163.31 -58.36 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 126.942 2.097 . . . . 0.0 105.411 -175.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -56.23 -45.38 79.97 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 169.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 53.4 tp -56.91 -43.08 81.01 Favored 'General case' 0 C--N 1.343 0.322 0 C-N-CA 120.649 -0.42 . . . . 0.0 111.194 -179.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.25 -29.43 9.55 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.457 0.703 . . . . 0.0 111.847 178.511 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -82.5 -59.61 2.47 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 118.631 0.651 . . . . 0.0 109.987 178.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 tt -42.1 -53.6 3.9 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 125.302 1.441 . . . . 0.0 111.017 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 13.4 tt -61.21 -24.61 33.83 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.671 0 CA-C-N 114.779 -1.1 . . . . 0.0 112.481 -169.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -84.46 -59.87 2.25 Favored 'General case' 0 N--CA 1.45 -0.462 0 O-C-N 121.627 -0.67 . . . . 0.0 110.902 -177.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 13.2 mtmm -93.13 -61.88 1.49 Allowed 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 121.422 0.63 . . . . 0.0 112.416 -171.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 39.0 mp0 -55.61 -21.71 18.98 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 126.924 2.089 . . . . 0.0 116.026 -166.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 68.6 mt -65.13 27.01 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 116.699 2.111 . . . . 0.0 116.699 -176.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 39.6 m 69.49 -80.61 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.159 0 O-C-N 120.44 -1.413 . . . . 0.0 112.125 168.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 20.6 tt -59.51 -41.36 84.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 169.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.955 174.575 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . 0.48 ' C ' ' H ' ' B' ' 60' ' ' LEU . 73.9 m-20 . . . . . 0 N--CA 1.466 0.355 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -64.24 26.41 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.569 1.148 . . . . 0.0 111.078 163.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.48 ' H ' ' C ' ' B' ' 58' ' ' ASP . 3.4 pp -41.54 -27.42 0.09 Allowed 'General case' 0 C--N 1.345 0.405 0 C-N-CA 130.891 3.676 . . . . 0.0 114.604 -169.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.518 ' CG ' ' HZ2' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -44.44 -24.17 0.16 Allowed 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.998 1.319 . . . . 0.0 111.58 166.657 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 25.2 ttp85 -47.94 -13.16 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 127.585 2.354 . . . . 0.0 112.994 169.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -31.79 -44.45 0.08 Allowed 'General case' 0 C--N 1.343 0.299 0 C-N-CA 126.479 1.912 . . . . 0.0 110.834 165.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 106.99 -29.06 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 129.896 3.278 . . . . 0.0 110.848 173.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.3 9.93 3.46 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.281 1.432 . . . . 0.0 112.063 -168.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -156.42 163.44 39.45 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 125.729 1.611 . . . . 0.0 107.607 -178.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -121.1 151.3 40.02 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 168.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 6.7 t -63.03 102.27 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.186 0 O-C-N 123.668 0.605 . . . . 0.0 110.627 -167.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -100.34 -179.26 4.06 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 169.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -55.09 -39.66 69.55 Favored 'General case' 0 N--CA 1.449 -0.504 0 O-C-N 121.941 -0.474 . . . . 0.0 110.84 -176.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -55.59 -57.51 11.65 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 118.298 0.499 . . . . 0.0 111.803 175.076 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 57.1 mp0 -56.41 -54.42 45.83 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 -177.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -47.23 -52.24 16.51 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.349 1.06 . . . . 0.0 110.656 176.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 2.6 mm -55.15 -46.59 77.69 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.426 0 CA-C-O 117.334 -1.317 . . . . 0.0 110.88 -175.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 3.6 m -30.78 -61.02 0.19 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.603 1.161 . . . . 0.0 113.803 -169.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.15 -43.48 64.58 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 119.018 -0.515 . . . . 0.0 111.808 -179.432 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 4.5 mp -51.34 -47.92 62.58 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-N 119.004 0.82 . . . . 0.0 110.294 174.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.77 -57.3 20.51 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 177.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.81 -45.34 59.39 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.128 0.571 . . . . 0.0 112.044 -178.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 61.3 mt -81.27 -39.97 24.43 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.212 0.605 . . . . 0.0 110.897 -176.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.19 -36.08 67.98 Favored 'General case' 0 CA--C 1.521 -0.154 0 C-N-CA 125.251 1.421 . . . . 0.0 110.847 176.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.27 -43.15 1.09 Allowed 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.989 0.916 . . . . 0.0 110.1 169.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.9 mp -89.72 -70.23 0.56 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 C-N-CA 124.07 0.948 . . . . 0.0 109.669 173.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -60.94 -25.54 66.86 Favored 'General case' 0 C--N 1.341 0.213 0 N-CA-C 116.188 1.921 . . . . 0.0 116.188 -165.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -60.29 -59.25 5.71 Favored 'General case' 0 C--O 1.226 -0.146 0 CA-C-N 119.498 1.045 . . . . 0.0 110.108 -172.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.531 0.243 0 C-N-CA 127.132 2.173 . . . . 0.0 108.151 175.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 65.4 mt . . . . . 0 CA--C 1.533 0.29 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.71 -35.11 11.31 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-O 118.001 -1.444 . . . . 0.0 113.414 171.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 22.5 mt -58.59 -34.59 71.27 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 120.556 2.178 . . . . 0.0 111.71 175.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mp -63.56 -58.23 7.63 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.585 0.63 . . . . 0.0 109.665 -175.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.3 mt -68.51 -29.71 44.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-N 118.414 0.552 . . . . 0.0 110.839 173.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.93 -62.88 5.73 Favored Glycine 0 C--O 1.222 -0.602 0 C-N-CA 124.822 1.201 . . . . 0.0 111.223 -178.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 65.8 mt -52.38 -45.88 45.75 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-N 118.01 0.905 . . . . 0.0 109.961 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -49.49 -73.99 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.582 1.153 . . . . 0.0 110.883 171.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -79.52 0.02 31.46 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 116.021 1.86 . . . . 0.0 116.021 -172.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.6 tttt -51.91 -53.84 36.27 Favored 'General case' 0 CA--C 1.527 0.085 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 167.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -68.09 -27.19 66.28 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.498 -0.774 . . . . 0.0 112.022 -176.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.4 m . . . . . 0 CA--C 1.53 0.187 0 CA-C-O 118.896 -0.573 . . . . 0.0 112.439 170.697 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.537 0.445 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.473 ' CG ' ' H ' ' A' ' 28' ' ' THR . 1.9 p80 -58.14 -90.26 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 117.062 2.245 . . . . 0.0 117.062 -169.045 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.473 ' H ' ' CG ' ' A' ' 27' ' ' HIS . 9.6 p -153.75 171.55 18.7 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 126.273 1.829 . . . . 0.0 107.162 -165.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.1 pp -103.84 142.02 35.11 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 104.589 -2.375 . . . . 0.0 104.589 165.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 97.2 p -83.99 46.57 1.2 Allowed 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.117 -0.989 . . . . 0.0 113.282 -165.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.318 0.0 OUTLIER 64.2 -48.19 0.29 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 127.672 2.389 . . . . 0.0 116.913 173.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.08 -47.24 83.81 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 120.784 1.629 . . . . 0.0 109.012 -176.188 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -51.55 -29.26 16.36 Favored 'General case' 0 N--CA 1.44 -0.946 0 C-N-CA 125.178 1.391 . . . . 0.0 112.174 175.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.69 -37.09 77.87 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.454 -0.779 . . . . 0.0 109.893 176.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 43.1 mmtt -66.27 -15.83 63.53 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.618 -0.676 . . . . 0.0 112.46 175.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -90.64 -43.73 9.97 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 122.143 0.973 . . . . 0.0 110.267 174.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.7 tt -49.36 -54.98 14.51 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.409 1.884 . . . . 0.0 110.399 172.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 15.0 tt -55.42 -46.14 78.47 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 O-C-N 121.682 -0.636 . . . . 0.0 111.935 -176.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.9 mm100 -58.82 -57.65 12.1 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 122.552 0.341 . . . . 0.0 111.147 -172.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.9 mtmm -91.55 -64.74 1.08 Allowed 'General case' 0 N--CA 1.457 -0.125 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 -174.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.2 mp0 -60.65 -44.86 95.93 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 118.583 -0.723 . . . . 0.0 111.809 -171.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.3 mt -79.66 14.96 1.48 Allowed 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.695 1.134 . . . . 0.0 113.076 174.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m 72.0 -70.06 0.17 Allowed 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 125.187 1.395 . . . . 0.0 114.406 167.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 34.4 mt . . . . . 0 CA--C 1.534 0.349 0 C-N-CA 128.982 2.913 . . . . 0.0 109.991 -169.346 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 CA--C 1.536 0.432 0 CA-C-O 118.919 -0.562 . . . . 0.0 111.686 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 30.8 mmt -54.78 -55.32 31.35 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 119.286 0.948 . . . . 0.0 110.498 176.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -48.38 -58.6 4.37 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.964 0.888 . . . . 0.0 110.401 173.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.3 5.39 1.74 Allowed 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 118.466 -1.293 . . . . 0.0 112.997 -172.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 43.6 tp -56.69 -20.33 21.19 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 120.369 -1.457 . . . . 0.0 109.457 166.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -48.17 -26.69 2.01 Favored 'General case' 0 C--N 1.345 0.391 0 C-N-CA 124.073 0.949 . . . . 0.0 112.723 168.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.31 -21.34 14.43 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.291 1.436 . . . . 0.0 112.953 174.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -27.66 -75.71 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 126.663 1.985 . . . . 0.0 115.953 -169.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.92 43.5 2.26 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 119.606 1.094 . . . . 0.0 108.16 168.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.9 t0 8.79 53.74 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 130.706 3.602 . . . . 0.0 115.954 -168.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 173.18 175.48 0.11 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 128.528 2.731 . . . . 0.0 106.05 175.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 33.92 78.03 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 126.895 2.078 . . . . 0.0 113.173 169.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.1 m -91.17 127.84 43.32 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 174.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -93.66 171.03 9.14 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 126.987 2.115 . . . . 0.0 109.834 -179.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -51.83 -48.49 63.91 Favored 'General case' 0 C--O 1.217 -0.623 0 C-N-CA 123.716 0.806 . . . . 0.0 110.915 -175.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.65 -51.0 30.54 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.721 0.808 . . . . 0.0 111.748 177.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -60.4 -58.79 6.98 Favored 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 121.689 -0.632 . . . . 0.0 109.612 177.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -51.41 -44.18 62.17 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.378 1.071 . . . . 0.0 112.113 -177.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 8.7 tp -78.3 -39.8 24.67 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 O-C-N 121.418 -0.801 . . . . 0.0 108.847 -173.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 42.9 m -50.58 -47.77 57.9 Favored 'General case' 0 C--N 1.345 0.371 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 169.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -50.16 -67.52 0.25 Allowed 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 124.828 1.251 . . . . 0.0 110.968 175.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -38.87 -48.41 1.55 Allowed 'General case' 0 C--O 1.223 -0.303 0 C-N-CA 124.716 1.206 . . . . 0.0 111.863 171.246 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.49 -56.41 23.72 Favored Glycine 0 CA--C 1.525 0.698 0 C-N-CA 124.63 1.11 . . . . 0.0 111.457 178.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.39 -56.54 20.23 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -178.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -53.9 -49.74 67.92 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 122.978 0.511 . . . . 0.0 110.204 -177.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.71 -53.15 42.42 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-N 118.723 0.692 . . . . 0.0 111.255 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 71.0 mtp -55.32 -29.58 58.56 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 118.438 0.563 . . . . 0.0 112.413 177.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 71.8 mt -91.17 -38.08 10.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 C-N-CA 125.616 1.567 . . . . 0.0 112.486 -169.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 14.6 p90 -93.85 -48.63 6.2 Favored 'General case' 0 C--N 1.341 0.211 0 C-N-CA 124.134 0.974 . . . . 0.0 113.007 174.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -78.36 27.39 0.2 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.299 1.439 . . . . 0.0 113.005 -170.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 . . . . . 0 CA--C 1.54 0.585 0 C-N-CA 129.438 3.095 . . . . 0.0 113.616 -177.298 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.403 0 CA-C-O 121.25 0.548 . . . . 0.0 110.764 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . 0.43 HD12 ' H ' ' B' ' 9' ' ' ILE . 4.5 mp -60.23 -47.08 93.6 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 173.435 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -44.8 -49.19 9.05 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 124.309 0.957 . . . . 0.0 112.147 172.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 63.1 tp -62.72 -47.97 81.27 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 117.93 0.865 . . . . 0.0 110.215 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 96.1 mt -57.06 -44.7 83.26 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 118.412 0.551 . . . . 0.0 111.104 177.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 94.4 mt -60.25 -42.5 90.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 123.278 0.631 . . . . 0.0 109.842 174.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.37 -61.3 7.37 Favored Glycine 0 CA--C 1.524 0.613 0 C-N-CA 124.655 1.122 . . . . 0.0 110.54 176.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 35.8 mm -53.11 -52.81 26.55 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 CA-C-N 117.786 0.793 . . . . 0.0 109.716 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -42.21 -65.44 0.46 Allowed 'General case' 0 C--N 1.339 0.146 0 C-N-CA 123.693 0.797 . . . . 0.0 110.87 172.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . 0.4 1.1 m-70 -79.53 3.27 19.28 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 115.559 1.688 . . . . 0.0 115.559 -177.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.33 -32.49 62.83 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 106.037 -1.838 . . . . 0.0 106.037 163.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -102.28 42.0 1.18 Allowed 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 126.417 1.887 . . . . 0.0 109.925 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 57.3 m -67.59 -14.89 63.33 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 116.409 2.003 . . . . 0.0 116.409 -172.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.667 0 N-CA-C 105.038 -3.225 . . . . 0.0 105.038 -165.386 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.307 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 1.1 p80 179.33 -36.06 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.337 1.055 . . . . 0.0 113.569 174.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 3.1 p -136.14 170.76 15.5 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 -169.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 11.9 mt -73.35 73.94 1.35 Allowed 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.085 -1.079 . . . . 0.0 108.085 169.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 47.1 m -67.99 72.34 0.17 Allowed 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.771 1.228 . . . . 0.0 113.165 -174.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 21.8 mttm 67.51 -70.25 0.12 Allowed 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 127.211 2.204 . . . . 0.0 113.476 168.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.498 ' H ' ' HD3' ' B' ' 32' ' ' LYS . 0.0 OUTLIER -62.67 -50.53 70.82 Favored 'General case' 0 C--O 1.226 -0.181 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 -174.534 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . 0.441 ' CD ' ' H ' ' B' ' 33' ' ' GLU . 0.4 OUTLIER -47.6 -44.06 26.23 Favored 'General case' 0 N--CA 1.462 0.136 0 C-N-CA 125.484 1.513 . . . . 0.0 110.821 172.183 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.4 -45.97 85.3 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 -179.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 39.9 mmtt -66.64 -30.15 70.35 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 120.864 -1.148 . . . . 0.0 112.363 176.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -50.5 -43.35 55.6 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.086 1.754 . . . . 0.0 108.577 168.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.35 -58.86 4.02 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.301 1.441 . . . . 0.0 111.321 171.224 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . 0.255 1.4 pt -56.49 -46.02 82.19 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.561 0 CA-C-N 118.356 0.525 . . . . 0.0 112.409 -168.304 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -68.92 -40.68 78.91 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 118.51 -1.276 . . . . 0.0 109.715 -169.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -92.83 -86.77 0.24 Allowed 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 -172.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 37.1 mp0 -78.11 -27.81 48.44 Favored 'General case' 0 C--N 1.341 0.199 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 -165.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -29.22 -61.85 0.13 Allowed 'General case' 0 C--N 1.34 0.18 0 N-CA-C 117.218 2.303 . . . . 0.0 117.218 -168.335 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 12.3 t -151.48 129.98 12.18 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 -166.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 6.0 pt -140.19 -112.3 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 N-CA-C 106.876 -1.527 . . . . 0.0 106.876 169.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.887 0 C-N-CA 125.365 1.46 . . . . 0.0 112.363 177.203 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.469 0.476 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -65.93 -1.67 3.23 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.715 0.806 . . . . 0.0 111.366 167.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -56.85 -6.53 0.34 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.489 1.516 . . . . 0.0 114.946 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -52.46 -24.55 8.14 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 122.258 1.027 . . . . 0.0 109.448 163.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 35.1 ttm-85 -47.55 -27.99 2.06 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 125.411 1.484 . . . . 0.0 112.896 170.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -47.85 -34.89 9.42 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.258 0.623 . . . . 0.0 112.09 173.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -119.07 50.73 1.19 Allowed 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 107.818 -1.179 . . . . 0.0 107.818 175.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 16.3 t0 28.93 51.92 0.07 Allowed 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 126.394 1.878 . . . . 0.0 112.873 -175.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 57.9 29.63 17.88 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.451 -0.78 . . . . 0.0 111.03 168.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -127.87 57.56 1.53 Allowed 'General case' 0 C--O 1.234 0.288 0 C-N-CA 124.985 1.314 . . . . 0.0 109.293 -169.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 32.1 m -91.24 132.38 35.91 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 CA-C-O 121.158 0.504 . . . . 0.0 111.163 -169.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -85.8 175.52 8.63 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.189 1.396 . . . . 0.0 107.696 168.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -52.81 -44.7 66.84 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 119.372 0.987 . . . . 0.0 111.939 -172.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -54.93 -50.94 67.62 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 118.291 0.496 . . . . 0.0 109.766 178.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -68.59 -47.4 66.84 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.231 1.012 . . . . 0.0 109.805 -172.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -49.66 -52.12 33.2 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 124.558 1.143 . . . . 0.0 109.664 169.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 11.8 mm -61.56 -51.7 69.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 CA-C-O 118.688 -0.673 . . . . 0.0 110.096 -178.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 90.5 m -49.8 -49.97 46.64 Favored 'General case' 0 CA--C 1.523 -0.064 0 CA-C-N 119.397 0.999 . . . . 0.0 110.117 177.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -56.82 -53.93 52.18 Favored 'General case' 0 N--CA 1.445 -0.689 0 C-N-CA 124.549 1.14 . . . . 0.0 111.372 179.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 78.0 mt -54.53 -58.97 5.42 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 173.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -34.32 -51.56 0.72 Allowed Glycine 0 CA--C 1.528 0.854 0 C-N-CA 127.731 2.586 . . . . 0.0 113.918 173.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.23 -42.02 76.64 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 117.823 0.812 . . . . 0.0 111.444 -179.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 48.7 mt -82.77 -29.58 29.56 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.095 0.558 . . . . 0.0 110.578 178.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -49.67 -57.81 6.51 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 125.411 1.484 . . . . 0.0 113.229 -168.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 67.9 mmm -66.6 -12.57 58.58 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.771 0.714 . . . . 0.0 112.786 -178.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 36.0 mt -84.32 -62.37 1.5 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 171.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -90.25 -43.36 10.44 Favored 'General case' 0 C--N 1.339 0.109 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 -169.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -87.04 27.91 0.97 Allowed 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 127.034 2.134 . . . . 0.0 112.911 -166.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 . . . . . 0 CA--C 1.538 0.512 0 CA-C-N 119.355 0.979 . . . . 0.0 111.629 172.788 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 22.5 mm . . . . . 0 CA--C 1.531 0.236 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -51.65 -53.57 28.6 Favored Glycine 0 CA--C 1.526 0.779 0 C-N-CA 124.357 0.98 . . . . 0.0 111.648 174.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -58.4 -55.23 37.73 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.01 0.905 . . . . 0.0 109.566 -177.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 12' ' ' LEU . 3.8 mm? -59.21 -52.16 66.9 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.645 0.378 . . . . 0.0 111.083 -176.122 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 49.7 mt -61.8 -42.82 95.97 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 118.121 0.419 . . . . 0.0 110.02 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.67 -59.61 9.91 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 111.696 -0.562 . . . . 0.0 111.696 -178.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.1 mt -53.73 -41.96 49.68 Favored 'Isoleucine or valine' 0 C--N 1.341 0.205 0 CA-C-O 118.143 -0.932 . . . . 0.0 111.869 -169.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -32.14 -68.36 0.09 Allowed 'General case' 0 C--N 1.342 0.259 0 C-N-CA 124.828 1.251 . . . . 0.0 110.079 172.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -91.1 10.41 26.97 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -169.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.6 tttt -53.18 -42.03 65.82 Favored 'General case' 0 C--N 1.342 0.251 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 170.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -73.42 83.07 1.45 Allowed 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 169.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.2 m . . . . . 0 CA--C 1.541 0.614 1 C-N-CA 131.898 4.079 . . . . 0.0 111.057 -172.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.8 tttp . . . . . 0 CA--C 1.531 0.231 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 22.0 p80 179.07 151.17 0.32 Allowed 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 124.513 1.125 . . . . 0.0 109.592 166.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.76 154.61 32.77 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.518 1.127 . . . . 0.0 109.27 168.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -104.66 -177.42 3.36 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 167.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 79.0 p -113.04 162.03 16.38 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 168.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.54 -28.27 53.79 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -171.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.2 pttm -66.26 -29.97 70.32 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 118.288 -0.863 . . . . 0.0 112.4 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -70.73 -51.92 24.24 Favored 'General case' 0 C--N 1.342 0.242 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 169.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -50.45 -46.59 56.79 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.433 -175.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -41.72 -43.03 2.74 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.845 1.658 . . . . 0.0 112.5 174.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.08 -41.85 27.75 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 117.873 0.306 . . . . 0.0 111.229 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.9 tt -57.73 -59.9 4.5 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 125.307 1.443 . . . . 0.0 110.459 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.416 HG23 ' N ' ' A' ' 39' ' ' GLN . 18.2 tt -54.26 -57.74 5.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 C-N-CA 124.599 1.159 . . . . 0.0 111.571 -169.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.416 ' N ' HG23 ' A' ' 38' ' ' ILE . 0.4 OUTLIER -81.59 -31.69 32.43 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -168.555 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.6 mtmm -77.88 -55.58 5.19 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 118.335 -1.346 . . . . 0.0 110.001 -178.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -91.99 -57.44 2.72 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -169.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -70.79 -56.98 5.12 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 -167.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 68.7 p -76.3 101.17 5.37 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -168.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 19.2 mt . . . . . 0 CA--C 1.536 0.432 0 N-CA-C 106.508 -1.664 . . . . 0.0 106.508 167.089 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.1 tp . . . . . 0 CA--C 1.531 0.239 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 50.8 ttm -58.66 -53.35 59.29 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 177.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -53.69 -43.87 69.27 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.348 1.859 . . . . 0.0 110.83 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.401 ' HA ' ' CD1' ' A' ' 76' ' ' PHE . 10.6 t70 -56.02 -70.83 0.1 Allowed 'General case' 0 C--O 1.224 -0.273 0 CA-C-O 121.25 0.548 . . . . 0.0 110.632 170.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 97.2 mt -55.73 -39.07 70.61 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 123.929 0.892 . . . . 0.0 112.628 -169.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -45.1 -34.55 2.65 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 123.85 0.86 . . . . 0.0 111.844 174.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 26.5 ptt-85 -41.94 -40.03 2.04 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.79 1.236 . . . . 0.0 114.297 -175.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -43.75 24.08 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.812 1 C-N-CA 133.414 4.686 . . . . 0.0 120.787 -168.358 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -88.31 -8.09 55.7 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 120.54 -1.35 . . . . 0.0 112.505 -169.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -105.72 -63.52 1.24 Allowed 'General case' 0 C--N 1.342 0.275 0 CA-C-N 119.498 1.045 . . . . 0.0 109.089 173.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -154.08 -61.53 0.13 Allowed 'General case' 0 CA--C 1.522 -0.096 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -169.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -164.27 -59.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -168.21 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.4 p -160.49 83.89 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 124.472 1.109 . . . . 0.0 110.13 168.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -97.34 174.89 6.47 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.818 2.047 . . . . 0.0 108.985 168.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -53.47 -53.58 49.29 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 120.289 1.404 . . . . 0.0 111.235 -176.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -47.41 -37.75 12.02 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 124.171 0.988 . . . . 0.0 111.294 175.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -77.2 -65.72 0.92 Allowed 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 -176.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -36.52 -56.26 0.81 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.991 2.117 . . . . 0.0 112.658 173.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 10.1 tp -60.53 -25.48 34.7 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 C-N-CA 123.56 0.744 . . . . 0.0 112.301 -175.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 94.8 m -49.17 -64.8 0.7 Allowed 'General case' 0 C--N 1.342 0.282 0 C-N-CA 124.063 0.945 . . . . 0.0 111.439 -170.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.401 ' CD1' ' HA ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER -73.15 -40.31 64.97 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.074 -176.335 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -37.62 -48.52 1.04 Allowed 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.853 0.861 . . . . 0.0 111.025 169.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -51.6 -62.45 5.52 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 123.616 0.627 . . . . 0.0 112.608 173.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.24 -48.44 81.44 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.817 0.818 . . . . 0.0 110.822 -175.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -54.93 -49.56 71.02 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 124.089 0.956 . . . . 0.0 109.613 177.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.9 -54.22 49.08 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 119.224 0.92 . . . . 0.0 110.707 174.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 11.6 tmm? -44.76 -50.6 10.02 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.587 1.555 . . . . 0.0 110.3 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 84.1 mt -80.91 -54.75 9.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 123.887 0.875 . . . . 0.0 111.261 -173.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . 0.351 0.1 OUTLIER -73.13 -27.11 61.49 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -168.653 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -70.29 -45.35 66.49 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 118.795 -1.162 . . . . 0.0 111.666 -169.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 . . . . . 0 C--N 1.332 -0.195 0 C-N-CA 129.931 3.292 . . . . 0.0 104.622 -175.595 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.204 0 CA-C-O 120.621 0.248 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 96.4 mt -54.46 -45.22 69.95 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 175.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.68 -44.33 23.17 Favored Glycine 0 CA--C 1.522 0.499 0 C-N-CA 126.619 2.056 . . . . 0.0 112.186 175.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -62.65 -49.59 74.55 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 118.939 1.37 . . . . 0.0 110.124 176.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 64.1 mt -57.59 -42.6 83.47 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 120.69 0.281 . . . . 0.0 110.32 179.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 82.2 mt -63.76 -42.57 96.38 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 C-N-CA 123.403 0.681 . . . . 0.0 109.648 174.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -41.15 -66.67 0.88 Allowed Glycine 0 C--N 1.334 0.442 0 C-N-CA 126.242 1.877 . . . . 0.0 109.58 169.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 29.5 mm -60.48 -33.86 55.92 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 123.976 0.91 . . . . 0.0 110.999 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -51.7 -48.12 63.66 Favored 'General case' 0 C--O 1.225 -0.216 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 178.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . 0.31 0.1 OUTLIER -93.52 21.79 5.94 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 115.919 1.822 . . . . 0.0 115.919 169.669 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -61.78 -33.62 74.42 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 104.728 -2.323 . . . . 0.0 104.728 163.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . 0.527 ' CE1' ' CB ' ' B' ' 37' ' ' LEU . 81.2 m-85 -65.53 108.82 2.14 Favored 'General case' 0 N--CA 1.439 -0.984 0 N-CA-C 105.604 -1.999 . . . . 0.0 105.604 164.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 19.1 m 89.48 12.99 0.06 Allowed 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 127.685 2.394 . . . . 0.0 112.577 -168.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 C-N-CA 125.236 1.398 . . . . 0.0 114.981 169.626 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? . . . . . 0 N--CA 1.45 -0.47 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 21.5 m170 -75.3 64.49 1.5 Allowed 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 171.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 159.61 115.52 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 131.565 3.946 . . . . 0.0 105.025 -176.455 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -94.61 129.24 41.54 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 -168.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 70.7 m -89.17 163.48 15.42 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 123.281 0.632 . . . . 0.0 109.426 175.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -45.25 -43.26 10.27 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -53.75 53.71 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 122.632 0.373 . . . . 0.0 110.965 -174.393 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -53.84 -49.1 69.19 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 170.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.24 -43.45 64.33 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 111.949 0.352 . . . . 0.0 111.949 -175.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.18 -23.37 3.26 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.19 0.996 . . . . 0.0 112.634 179.068 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -55.1 15.06 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 119.538 1.063 . . . . 0.0 111.28 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.527 ' CB ' ' CE1' ' B' ' 19' ' ' TYR 0.287 0.4 OUTLIER -90.93 -39.82 12.06 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -169.209 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 13.9 pt -53.62 -35.36 25.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -167.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -54.23 -27.87 37.51 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 178.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 44.1 tttm -81.27 -58.81 2.88 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 122.795 0.438 . . . . 0.0 110.08 170.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -68.28 -25.94 65.4 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 114.85 1.426 . . . . 0.0 114.85 -166.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 96.7 mt -69.34 26.78 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.361 1.464 . . . . 0.0 113.3 175.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -54.56 9.09 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 128.745 2.818 . . . . 0.0 118.265 -167.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 5.4 mt 74.52 -51.19 0.22 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.177 0 C-N-CA 128.912 2.885 . . . . 0.0 113.802 167.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.59 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -169.561 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 t70 . . . . . 0 CA--C 1.533 0.323 0 CA-C-O 121.338 0.59 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.97 -15.34 60.18 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -172.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 23.4 tp -66.84 -61.21 2.07 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 124.401 1.081 . . . . 0.0 109.835 -175.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -52.26 -43.26 64.27 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 122.579 0.352 . . . . 0.0 110.906 -171.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . 0.449 ' CD ' HG22 ' B' ' 68' ' ' VAL . 5.5 ptt-85 -78.03 -99.6 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.0 -0.545 . . . . 0.0 112.061 -174.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -86.55 0.55 54.12 Favored 'General case' 0 C--O 1.224 -0.246 0 O-C-N 121.057 -1.027 . . . . 0.0 113.242 -167.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 14.8 mmtm 65.77 51.13 1.46 Allowed 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 -169.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . 0.33 6.4 t0 60.48 97.84 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 128.575 2.75 . . . . 0.0 114.6 -169.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -178.15 -164.63 0.08 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.165 1.386 . . . . 0.0 108.942 174.427 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -74.28 176.14 6.95 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.642 0.777 . . . . 0.0 109.522 -178.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.449 HG22 ' CD ' ' B' ' 62' ' ' ARG . 5.2 t -128.88 125.81 63.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -167.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -94.04 171.2 9.0 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.033 0.933 . . . . 0.0 110.735 169.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -57.08 -48.77 77.79 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-O 119.229 -0.415 . . . . 0.0 110.43 -177.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 7.9 tm0? -52.57 -51.21 60.85 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -54.93 -62.96 1.32 Allowed 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 118.205 0.457 . . . . 0.0 110.218 176.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -43.64 -58.33 2.72 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.961 0.904 . . . . 0.0 110.639 -179.122 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 11.3 tp -69.96 -41.33 79.39 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 O-C-N 122.119 -0.363 . . . . 0.0 110.346 -170.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 87.3 m -63.73 -47.48 80.89 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 -178.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -58.18 -60.33 3.91 Favored 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 125.577 1.551 . . . . 0.0 110.883 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 22.7 mt -59.02 -36.73 75.47 Favored 'General case' 0 C--O 1.225 -0.196 0 O-C-N 122.096 -0.378 . . . . 0.0 110.366 177.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.85 -48.69 76.45 Favored Glycine 0 CA--C 1.526 0.72 0 C-N-CA 124.048 0.833 . . . . 0.0 111.203 174.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.12 -49.6 73.76 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 117.811 0.806 . . . . 0.0 109.856 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 46.1 mt -57.52 -47.28 82.39 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 178.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.9 -49.68 76.72 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.198 0.999 . . . . 0.0 110.705 178.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 30.1 ttp -50.78 -55.4 16.96 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.892 0.877 . . . . 0.0 109.879 175.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 89.0 mt -58.27 -54.24 35.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 123.086 0.555 . . . . 0.0 110.064 -178.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . 0.351 2.0 p90 -81.61 -6.37 58.94 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 -173.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -85.34 -108.21 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 105.791 -1.929 . . . . 0.0 105.791 166.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 . . . . . 0 C--O 1.236 0.361 0 C-N-CA 127.552 2.341 . . . . 0.0 108.711 168.334 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 93.1 mt . . . . . 0 CA--C 1.533 0.325 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.6 -51.26 12.8 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 124.459 1.028 . . . . 0.0 111.924 176.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.1 tt -57.52 -52.61 64.69 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.686 0.794 . . . . 0.0 110.244 178.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.2 mt -60.21 -48.09 83.22 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 122.72 0.408 . . . . 0.0 111.329 -176.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.3 mp -66.17 -39.4 84.24 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 177.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.07 -56.7 17.66 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.005 -1.238 . . . . 0.0 110.005 175.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.5 mt -59.38 -47.46 90.52 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 123.014 0.525 . . . . 0.0 110.277 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -45.61 -61.93 1.5 Allowed 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 119.001 0.819 . . . . 0.0 111.461 170.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . 0.284 0.1 OUTLIER -80.94 -36.87 30.4 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 -167.437 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -33.77 67.01 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 120.463 1.483 . . . . 0.0 112.201 -170.389 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -66.14 -4.19 7.03 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 112.856 0.688 . . . . 0.0 112.856 178.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.8 m . . . . . 0 CA--C 1.538 0.481 0 O-C-N 121.624 -0.672 . . . . 0.0 110.939 167.787 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? . . . . . 0 CA--C 1.534 0.356 0 CA-C-O 121.714 0.769 . . . . 0.0 110.183 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 52.5 m170 -80.1 -39.19 30.12 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 124.36 1.064 . . . . 0.0 109.419 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.54 -178.04 5.63 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 128.034 2.534 . . . . 0.0 108.008 167.487 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.6 mp -138.09 132.21 31.7 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 119.423 1.01 . . . . 0.0 108.601 169.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.0 p -81.92 58.66 3.98 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 121.71 -0.619 . . . . 0.0 112.521 -169.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.4 ' NZ ' ' OE2' ' A' ' 67' ' ' GLU . 14.3 mtmm 61.86 -70.78 0.05 OUTLIER 'General case' 0 C--O 1.225 -0.188 0 C-N-CA 127.121 2.168 . . . . 0.0 113.361 176.499 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -40.22 -52.16 2.64 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 126.218 1.807 . . . . 0.0 110.24 -174.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.407 ' H ' ' CD ' ' A' ' 33' ' ' GLU . 30.7 mp0 -56.16 -43.73 78.62 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 125.364 1.465 . . . . 0.0 110.288 -177.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.7 mt -81.96 -29.01 32.41 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-O 117.53 -1.224 . . . . 0.0 111.549 176.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 45.5 tptt -57.78 -47.53 82.27 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 121.431 1.923 . . . . 0.0 109.713 177.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -44.16 -55.23 4.95 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.925 1.29 . . . . 0.0 110.83 170.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 tt -65.57 -74.24 0.11 Allowed 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 125.269 1.427 . . . . 0.0 111.806 -178.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.4 pp -42.95 -56.76 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 C-N-CA 126.991 2.116 . . . . 0.0 111.902 -167.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -61.32 -49.39 77.18 Favored 'General case' 0 N--CA 1.443 -0.821 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 -170.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.6 mtmm -77.01 -59.58 2.72 Favored 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 119.779 -0.768 . . . . 0.0 110.251 -173.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -84.03 -28.69 27.48 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -167.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 31.8 mt -92.32 -63.0 1.29 Allowed 'General case' 0 C--N 1.339 0.133 0 CA-C-N 119.343 0.974 . . . . 0.0 112.049 178.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.8 p -59.89 156.33 14.63 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -167.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.26 10.0 tt . . . . . 0 C--N 1.34 0.184 0 C-N-CA 126.865 2.066 . . . . 0.0 111.346 177.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 69.0 mt . . . . . 0 CA--C 1.532 0.275 0 N-CA-C 110.629 -0.137 . . . . 0.0 110.629 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 21.2 mmt -73.82 -45.92 48.39 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-O 119.471 -0.3 . . . . 0.0 111.733 -172.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 53.4 p-10 -29.24 -61.24 0.14 Allowed 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 126.074 1.75 . . . . 0.0 114.36 -173.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -61.85 -8.91 5.55 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -171.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 pp -51.06 -39.42 55.97 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 120.578 1.535 . . . . 0.0 113.203 -172.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -64.96 -39.2 93.12 Favored 'General case' 0 CA--C 1.529 0.14 0 O-C-N 121.631 -0.668 . . . . 0.0 110.379 177.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.7 mtp85 -73.84 25.57 0.07 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.597 1.959 . . . . 0.0 113.73 -169.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -89.04 -15.96 32.76 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.681 1.592 . . . . 0.0 113.613 -173.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.8 mttp -78.42 -44.51 24.6 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 123.959 0.903 . . . . 0.0 110.609 -167.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -115.58 96.27 5.55 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 172.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -40.85 -35.1 0.46 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 113.559 -1.655 . . . . 0.0 114.369 169.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.4 ' OE2' ' NZ ' ' A' ' 31' ' ' LYS . 26.8 mm-40 -100.39 46.68 0.95 Allowed 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 120.035 1.289 . . . . 0.0 110.39 178.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 8.3 m -16.09 83.77 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 C-N-CA 130.957 3.703 . . . . 0.0 115.7 -169.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -68.52 -178.89 1.21 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.149 1.38 . . . . 0.0 111.98 169.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -54.42 -43.71 71.78 Favored 'General case' 0 C--O 1.225 -0.227 0 C-N-CA 123.82 0.848 . . . . 0.0 111.692 -176.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.8 tm0? -49.79 -54.58 18.27 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-O 118.835 -0.602 . . . . 0.0 110.371 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -61.22 -57.86 10.69 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 118.756 0.707 . . . . 0.0 110.442 -178.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -41.55 -52.59 3.68 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.684 1.194 . . . . 0.0 111.475 177.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.1 tp -79.1 -41.79 23.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-O 118.629 -0.7 . . . . 0.0 111.419 -173.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 49.9 m -48.7 -54.77 13.54 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 119.342 0.974 . . . . 0.0 108.862 173.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -52.05 -55.67 19.2 Favored 'General case' 0 N--CA 1.442 -0.857 0 C-N-CA 125.513 1.525 . . . . 0.0 110.728 175.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.98 -44.92 51.19 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.671 0.669 . . . . 0.0 112.262 174.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.94 -51.98 53.9 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 123.987 0.803 . . . . 0.0 111.105 177.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.75 -54.36 47.17 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 122.489 -0.418 . . . . 0.0 110.115 176.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 74.8 mt -53.35 -46.06 69.37 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.201 1.0 . . . . 0.0 112.126 -178.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.62 -45.3 81.58 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 121.743 -0.598 . . . . 0.0 110.51 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 67.8 mtm -67.69 -8.12 32.56 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 175.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 85.8 mt -92.69 -69.9 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 168.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.5 p90 -80.8 -40.45 24.99 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -169.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -92.97 23.17 4.39 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 124.539 1.136 . . . . 0.0 111.549 -170.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 . . . . . 0 CA--C 1.539 0.549 0 N-CA-C 117.724 2.49 . . . . 0.0 117.724 -165.072 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.268 0 CA-C-O 120.838 0.351 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 62.3 mt -55.32 -43.71 72.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 172.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -40.73 -46.22 3.76 Favored Glycine 0 CA--C 1.525 0.703 0 C-N-CA 127.296 2.379 . . . . 0.0 113.162 173.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.9 mp -59.82 -48.37 81.97 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.988 1.394 . . . . 0.0 110.223 176.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.4 mp -62.81 -35.25 79.27 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.844 -0.535 . . . . 0.0 110.641 179.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 97.9 mt -61.19 -48.31 89.53 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 C-N-CA 123.935 0.894 . . . . 0.0 109.267 172.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.54 -40.44 69.86 Favored Glycine 0 CA--C 1.526 0.768 0 C-N-CA 124.639 1.114 . . . . 0.0 111.391 177.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 30.0 mm -70.15 -55.02 16.1 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 CA-C-N 117.437 0.618 . . . . 0.0 110.674 174.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . 0.508 ' CZ ' ' CE1' ' B' ' 17' ' ' HIS . 5.3 t80 -39.61 -61.33 0.83 Allowed 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.006 1.322 . . . . 0.0 111.228 173.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . 0.508 ' CE1' ' CZ ' ' B' ' 16' ' ' PHE . 3.7 m-70 -90.2 21.3 3.84 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -178.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.63 -54.85 33.3 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 121.419 -0.8 . . . . 0.0 109.375 169.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -67.85 -33.63 75.13 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.077 -178.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 2.3 m -58.94 -27.05 64.95 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 120.804 0.335 . . . . 0.0 111.799 169.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.74 0 C-N-CA 123.711 0.672 . . . . 0.0 113.096 -168.545 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? . . . . . 0 CA--C 1.541 0.596 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 26.6 p80 -160.02 142.42 13.31 Favored 'General case' 0 CA--C 1.517 -0.324 0 O-C-N 121.246 -0.909 . . . . 0.0 113.07 165.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 3.4 p -38.98 145.56 0.09 Allowed 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 127.623 2.369 . . . . 0.0 111.527 171.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 35.8 mt -70.65 124.98 25.55 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 107.694 -1.225 . . . . 0.0 107.694 171.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -82.83 50.35 1.68 Allowed 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.894 0.878 . . . . 0.0 110.896 -169.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 34.1 mtmm 60.26 -68.93 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 126.898 2.079 . . . . 0.0 113.119 -175.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 45.1 tttm -55.32 -41.09 71.96 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.012 -1.055 . . . . 0.0 110.134 -178.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -53.54 -48.14 69.34 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 122.865 0.466 . . . . 0.0 110.524 174.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 37.0 tp -60.31 -43.03 96.7 Favored 'General case' 0 C--N 1.341 0.196 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 175.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 45.3 tptt -56.36 -52.33 64.99 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.2 0.455 . . . . 0.0 110.914 178.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -57.43 -43.93 84.25 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.469 -0.769 . . . . 0.0 111.568 175.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 tt -51.63 -51.5 55.26 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.916 0.886 . . . . 0.0 111.033 176.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.12 -45.09 91.29 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.101 0 O-C-N 121.083 -1.011 . . . . 0.0 111.282 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -53.54 -52.01 61.03 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.409 0.549 . . . . 0.0 110.56 177.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . 0.408 ' HZ3' ' CD ' ' B' ' 41' ' ' GLU . 18.6 ttpp -92.73 -95.01 0.14 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.6 0.76 . . . . 0.0 111.626 179.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.408 ' CD ' ' HZ3' ' B' ' 40' ' ' LYS . 23.5 mp0 -38.13 -53.09 1.44 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.431 1.892 . . . . 0.0 115.199 -168.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 20.0 mt -65.02 -26.8 68.43 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 119.555 1.07 . . . . 0.0 112.757 -174.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 8.4 p 80.89 144.42 0.08 Allowed 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 127.807 2.443 . . . . 0.0 109.222 -167.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 16.6 tt -146.95 -38.35 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 123.378 0.671 . . . . 0.0 111.782 -169.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.872 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 178.473 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 . . . . . 0 N--CA 1.466 0.369 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -35.82 -48.41 0.56 Allowed 'General case' 0 C--O 1.223 -0.301 0 C-N-CA 125.91 1.684 . . . . 0.0 112.051 -178.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 33.9 mt -61.97 -11.96 16.05 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 127.162 2.185 . . . . 0.0 114.041 -167.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.41 -38.6 43.78 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 165.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.77 20.4 4.77 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 177.044 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -24.67 -81.21 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 128.215 2.606 . . . . 0.0 114.057 -168.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.66 -74.27 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.787 1.635 . . . . 0.0 112.139 176.097 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 174.16 142.08 0.04 OUTLIER 'General case' 0 N--CA 1.436 -1.131 0 C-N-CA 131.089 3.756 . . . . 0.0 103.146 -177.058 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 32.96 -112.7 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 127.307 2.243 . . . . 0.0 113.175 166.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -91.08 165.17 13.66 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.843 0.857 . . . . 0.0 113.071 -168.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 46.8 t -98.21 114.25 35.13 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 C-N-CA 125.67 1.588 . . . . 0.0 112.458 -165.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -82.91 173.7 11.58 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 125.165 1.386 . . . . 0.0 109.774 168.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -56.84 -45.12 82.57 Favored 'General case' 0 C--O 1.221 -0.413 0 O-C-N 122.157 -0.339 . . . . 0.0 110.383 -177.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.1 tm0? -50.65 -50.28 54.92 Favored 'General case' 0 C--O 1.222 -0.363 0 C-N-CA 122.719 0.408 . . . . 0.0 110.598 176.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -63.67 -54.42 36.01 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 124.251 1.02 . . . . 0.0 109.797 -173.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -49.19 -46.8 46.12 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.799 0.839 . . . . 0.0 110.153 172.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 6.9 mm -64.36 -57.81 9.89 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 CA-C-O 118.375 -0.821 . . . . 0.0 111.101 -177.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 99.1 m -43.76 -51.57 7.17 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 124.468 1.107 . . . . 0.0 109.216 -178.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -58.54 -57.14 14.25 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 113.499 -1.682 . . . . 0.0 111.793 178.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.97 -39.24 77.68 Favored 'General case' 0 C--O 1.222 -0.347 0 O-C-N 121.851 -0.53 . . . . 0.0 110.769 -178.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.33 -52.33 53.88 Favored Glycine 0 CA--C 1.527 0.788 0 C-N-CA 124.297 0.951 . . . . 0.0 112.204 173.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.77 -49.38 68.36 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-O 121.161 0.505 . . . . 0.0 109.897 179.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 34.9 mt -65.35 -44.44 87.7 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.032 0.533 . . . . 0.0 111.066 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.75 -44.03 90.45 Favored 'General case' 0 CA--C 1.522 -0.103 0 C-N-CA 124.332 1.053 . . . . 0.0 110.746 -177.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 66.7 mtm -52.96 -22.9 6.19 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 118.225 -0.893 . . . . 0.0 112.359 173.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 52.2 mt -90.66 -71.47 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-N 119.674 1.125 . . . . 0.0 109.423 171.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 39.8 p90 -65.0 -36.9 85.89 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.081 -1.012 . . . . 0.0 112.495 -168.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -92.87 22.21 5.05 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.622 1.169 . . . . 0.0 112.183 174.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 . . . . . 0 C--N 1.346 0.429 0 CA-C-O 123.093 1.425 . . . . 0.0 112.394 -175.834 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 24.4 mm . . . . . 0 CA--C 1.533 0.291 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -42.99 -52.71 5.67 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 125.162 1.363 . . . . 0.0 111.416 169.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.1 tp -61.86 -47.3 85.64 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.705 -0.88 . . . . 0.0 111.317 177.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -55.23 -33.5 63.16 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.361 0.982 . . . . 0.0 112.068 174.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 52.4 mt -70.03 -44.55 78.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 123.497 0.719 . . . . 0.0 109.519 174.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.19 -31.88 62.69 Favored Glycine 0 CA--C 1.531 1.051 0 C-N-CA 125.241 1.401 . . . . 0.0 111.931 172.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.2 mm -67.58 -66.1 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 168.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -43.06 -82.79 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 127.398 2.279 . . . . 0.0 112.191 -178.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . 0.526 1.5 m-70 -70.36 22.27 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 120.923 3.675 . . . . 0.0 120.923 -167.033 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.1 mtmm -77.44 -50.59 12.37 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 103.116 -2.92 . . . . 0.0 103.116 159.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.447 ' CD2' HD12 ' A' ' 37' ' ' LEU . 29.6 m-85 -68.94 129.54 40.22 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 126.688 1.995 . . . . 0.0 107.547 174.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 93.4 p . . . . . 0 CA--C 1.535 0.385 0 CA-C-O 121.763 0.792 . . . . 0.0 109.47 -167.877 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.243 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -85.82 55.51 3.55 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 122.021 0.915 . . . . 0.0 110.901 -171.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 66.5 p -138.8 152.06 47.57 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 130.104 3.362 . . . . 0.0 102.895 168.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.4 mp -78.73 143.19 36.43 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 106.709 -1.589 . . . . 0.0 106.709 175.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.8 p -95.28 -85.79 0.31 Allowed 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 106.261 -1.755 . . . . 0.0 106.261 172.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.42 -51.21 0.69 Allowed 'General case' 0 N--CA 1.448 -0.525 0 C-N-CA 126.933 2.093 . . . . 0.0 107.779 168.329 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -44.28 -48.94 9.55 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 119.145 0.884 . . . . 0.0 112.192 -173.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.0 mp0 -62.38 -40.24 95.83 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 124.878 1.271 . . . . 0.0 109.837 -177.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.09 -46.46 74.19 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 178.062 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 46.1 mmtt -65.86 -19.09 65.76 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 121.538 -0.726 . . . . 0.0 111.675 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -73.32 -59.73 2.57 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 121.845 0.831 . . . . 0.0 109.254 168.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.447 HD12 ' CD2' ' A' ' 19' ' ' TYR . 7.3 tt -49.36 -58.12 5.67 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 128.159 2.583 . . . . 0.0 113.757 -178.215 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -31.18 -59.7 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.23 0.057 0 C-N-CA 128.011 2.524 . . . . 0.0 113.931 -168.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -57.57 -49.55 76.02 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.696 0.798 . . . . 0.0 111.863 -168.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.14 -35.95 11.68 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 -172.375 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -91.51 -29.08 17.19 Favored 'General case' 0 CA--C 1.528 0.111 0 N-CA-C 118.248 2.684 . . . . 0.0 118.248 -163.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.8 mt -69.59 22.32 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 116.097 1.888 . . . . 0.0 116.097 -168.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.1 m 50.53 58.88 5.02 Favored 'General case' 0 C--O 1.224 -0.25 0 C-N-CA 125.941 1.697 . . . . 0.0 110.932 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.437 ' H ' HD12 ' A' ' 44' ' ' ILE . 3.2 mp . . . . . 0 N--CA 1.451 -0.424 0 CA-C-O 123.164 1.459 . . . . 0.0 108.2 -177.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.5 tp . . . . . 0 CA--C 1.537 0.454 0 N-CA-C 111.37 0.137 . . . . 0.0 111.37 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.7 mmt -86.46 -40.59 15.17 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.093 0.957 . . . . 0.0 110.53 -176.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -48.91 -33.41 10.74 Favored 'General case' 0 CA--C 1.517 -0.293 0 C-N-CA 124.376 1.071 . . . . 0.0 112.333 -174.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.78 -4.74 1.61 Allowed 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 -173.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.0 mp -54.76 -19.72 6.93 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.08 -1.012 . . . . 0.0 111.002 165.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.83 -18.61 3.43 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.038 1.335 . . . . 0.0 112.896 168.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 55.4 ttm-85 -65.59 -6.69 11.75 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.269 1.427 . . . . 0.0 113.185 169.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -29.22 -73.54 0.03 OUTLIER 'General case' 0 C--N 1.339 0.152 0 C-N-CA 128.368 2.667 . . . . 0.0 116.987 -171.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -130.0 131.05 45.74 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -169.431 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.264 0.4 OUTLIER 66.28 -48.76 0.43 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 129.577 3.151 . . . . 0.0 113.542 -179.108 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? 146.41 -54.59 0.01 OUTLIER 'General case' 0 C--O 1.231 0.112 0 C-N-CA 128.9 2.88 . . . . 0.0 109.064 -169.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -77.79 167.08 22.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.979 0.895 . . . . 0.0 112.593 -170.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 58.7 t -140.03 94.43 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 C-N-CA 126.66 1.984 . . . . 0.0 107.954 -172.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -78.68 -176.21 4.77 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 124.773 1.229 . . . . 0.0 108.575 168.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -58.64 -42.38 88.19 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-O 119.123 -0.465 . . . . 0.0 110.738 -178.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -53.63 -57.13 11.88 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-N 118.197 0.453 . . . . 0.0 110.014 177.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -56.92 -56.11 25.85 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.114 0.966 . . . . 0.0 110.446 -178.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -48.76 -51.68 27.75 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 123.64 0.776 . . . . 0.0 110.052 178.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.7 mm -62.61 -53.23 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -178.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 60.7 m -50.98 -48.86 61.13 Favored 'General case' 0 CA--C 1.52 -0.18 0 C-N-CA 124.529 1.132 . . . . 0.0 108.792 -175.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -58.23 -60.29 3.98 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 114.284 -1.325 . . . . 0.0 111.691 176.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.13 -42.08 76.36 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 120.99 0.424 . . . . 0.0 109.948 -176.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -63.48 -45.0 95.84 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 124.749 1.166 . . . . 0.0 113.404 177.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.27 -47.6 75.24 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 118.099 0.95 . . . . 0.0 109.485 174.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 70.6 mt -61.0 -41.0 95.67 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 116.768 -0.197 . . . . 0.0 110.762 174.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.27 -43.13 87.79 Favored 'General case' 0 N--CA 1.457 -0.102 0 O-C-N 121.423 -0.798 . . . . 0.0 112.688 -179.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 42.1 mtm -57.01 -18.95 15.83 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 118.056 -0.973 . . . . 0.0 112.744 173.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 30.8 mm -90.33 -70.64 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 119.488 1.04 . . . . 0.0 108.863 169.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 25.7 p90 -56.66 -38.44 72.19 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 121.1 -1.0 . . . . 0.0 112.268 -169.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.56 26.08 3.2 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.646 1.578 . . . . 0.0 113.243 179.279 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 . . . . . 0 N--CA 1.478 0.961 0 C-N-CA 129.04 2.936 . . . . 0.0 117.986 -169.891 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.135 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.7 mp -52.93 -50.4 44.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 173.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.99 -56.24 9.11 Favored Glycine 0 CA--C 1.526 0.743 0 C-N-CA 125.515 1.531 . . . . 0.0 111.522 174.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 58.7 tp -57.96 -49.28 77.33 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.032 0.916 . . . . 0.0 110.71 179.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 45.0 mt -56.9 -41.06 77.42 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.008 0.523 . . . . 0.0 111.215 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 58.9 mt -66.64 -46.15 86.69 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.124 0 C-N-CA 123.368 0.667 . . . . 0.0 110.225 174.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.46 -55.68 27.32 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 109.918 -1.273 . . . . 0.0 109.918 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 4.3 tp -64.9 -46.23 92.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-O 118.78 -0.629 . . . . 0.0 109.901 -177.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -42.97 -57.12 2.99 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 119.157 0.889 . . . . 0.0 110.586 169.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -74.52 -32.68 62.56 Favored 'General case' 0 N--CA 1.434 -1.23 0 CA-C-O 118.215 -0.898 . . . . 0.0 112.667 -168.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 3.6 tpmp? -69.14 -31.2 69.7 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 119.14 -1.024 . . . . 0.0 113.607 -172.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -77.69 69.11 3.88 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 119.346 0.975 . . . . 0.0 110.749 178.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 9.1 p -133.26 38.29 3.32 Favored 'General case' 0 N--CA 1.442 -0.849 0 C-N-CA 125.947 1.699 . . . . 0.0 110.011 -172.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.728 0 C-N-CA 125.921 1.724 . . . . 0.0 114.867 168.043 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.313 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 35.1 m170 -57.89 -48.43 79.88 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 123.16 0.584 . . . . 0.0 111.693 -172.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 24.4 p -97.65 134.83 40.32 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 105.296 -2.113 . . . . 0.0 105.296 169.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.23 138.36 32.4 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 119.185 0.902 . . . . 0.0 109.686 -172.159 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.7 m -80.66 39.97 0.5 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.762 1.225 . . . . 0.0 111.008 -174.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.49 -67.03 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 127.105 2.162 . . . . 0.0 113.953 -171.019 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 15.1 tptp -53.96 -29.71 43.89 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 119.275 0.943 . . . . 0.0 112.034 -174.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -66.57 -54.45 23.53 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 173.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.455 ' O ' HD13 ' B' ' 34' ' ' LEU . 1.8 tm? -61.6 -34.62 75.94 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.772 -0.58 . . . . 0.0 110.95 -178.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -43.12 -41.01 3.46 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.658 1.183 . . . . 0.0 111.102 174.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.91 -26.39 65.08 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -178.111 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 tt -71.43 -64.95 0.82 Allowed 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.747 1.219 . . . . 0.0 107.986 172.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 3.4 tp -56.13 -48.62 78.87 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 C-N-CA 123.245 0.618 . . . . 0.0 112.286 -171.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -55.85 -31.94 63.18 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 118.382 0.537 . . . . 0.0 112.021 -173.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -93.75 -101.07 0.14 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.618 1.167 . . . . 0.0 113.225 -178.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 9.7 pm0 -63.08 -36.1 82.46 Favored 'General case' 0 C--N 1.342 0.266 0 N-CA-C 116.443 2.016 . . . . 0.0 116.443 -165.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 15.4 mt -59.72 -68.41 0.29 Allowed 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 119.924 1.238 . . . . 0.0 111.636 -169.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.78 -7.01 30.02 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 115.202 1.556 . . . . 0.0 115.202 -168.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 pp -89.17 -5.23 10.59 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.15 0 CA-C-N 118.836 0.744 . . . . 0.0 112.976 177.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.187 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 176.988 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 52.9 t0 . . . . . 0 CA--C 1.513 -0.457 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -91.93 16.92 10.03 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 114.755 1.391 . . . . 0.0 114.755 -169.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 85.1 mt -80.36 -7.86 59.26 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.692 -0.63 . . . . 0.0 112.591 171.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 29.0 p-10 -72.89 -32.89 65.68 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 124.08 0.952 . . . . 0.0 109.072 169.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.48 25.17 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 126.494 1.918 . . . . 0.0 114.613 174.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -56.34 -100.9 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 127.131 2.172 . . . . 0.0 116.01 -168.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.87 86.41 3.28 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-N 120.345 1.429 . . . . 0.0 110.562 -168.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 2.3 p30 60.08 -23.59 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 118.725 2.861 . . . . 0.0 118.725 167.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 25.5 pt20 -85.27 51.15 2.1 Favored 'General case' 0 C--N 1.332 -0.187 0 O-C-N 120.748 -1.22 . . . . 0.0 112.485 -166.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 43.48 -96.27 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 126.128 1.771 . . . . 0.0 109.668 -168.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 45.3 t -156.72 135.49 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 C-N-CA 128.101 2.56 . . . . 0.0 104.288 166.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -148.4 179.08 8.06 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 173.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -54.71 -38.37 66.99 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-O 118.446 -0.788 . . . . 0.0 112.118 -170.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -56.44 -57.78 10.85 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 118.946 0.793 . . . . 0.0 109.027 177.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -63.97 -47.47 80.29 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 121.897 -0.502 . . . . 0.0 110.559 -176.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -51.58 -46.43 63.47 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.002 0.921 . . . . 0.0 111.609 176.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 4.0 tp -81.39 -40.63 18.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 O-C-N 121.819 -0.551 . . . . 0.0 110.206 -172.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 56.1 m -49.26 -52.34 27.93 Favored 'General case' 0 C--N 1.341 0.219 0 C-N-CA 124.129 0.972 . . . . 0.0 108.905 169.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -52.36 -61.76 2.07 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.801 1.64 . . . . 0.0 109.901 174.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -45.3 -52.58 9.55 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 118.407 0.549 . . . . 0.0 111.094 178.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.97 -54.53 33.14 Favored Glycine 0 CA--C 1.533 1.187 0 C-N-CA 123.315 0.483 . . . . 0.0 112.717 176.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.3 -54.16 47.56 Favored 'General case' 0 N--CA 1.457 -0.094 0 C-N-CA 123.141 0.576 . . . . 0.0 110.24 -175.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 9.2 mp -54.92 -50.65 68.29 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 124.455 1.102 . . . . 0.0 109.303 177.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.85 -46.32 78.23 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 123.35 0.66 . . . . 0.0 111.343 -177.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 53.1 mtm -52.53 -24.62 8.45 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 119.066 0.848 . . . . 0.0 113.163 175.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 38.4 mm -90.83 -70.53 0.56 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-N 119.035 0.834 . . . . 0.0 110.287 171.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -65.75 -36.42 83.51 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 120.966 -1.084 . . . . 0.0 111.796 -169.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -91.12 26.74 2.06 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.861 2.065 . . . . 0.0 110.453 176.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 . . . . . 0 C--O 1.238 0.466 0 C-N-CA 130.746 3.618 . . . . 0.0 114.228 -169.359 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.6 mm . . . . . 0 CA--C 1.527 0.068 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -42.03 -51.87 5.02 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 123.401 0.524 . . . . 0.0 112.435 174.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.1 mt -55.31 -27.17 45.13 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 118.195 -0.907 . . . . 0.0 113.172 -178.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -59.69 -39.83 85.87 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 120.678 1.581 . . . . 0.0 110.312 174.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 mt -82.51 -31.24 9.56 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 CA-C-N 118.129 0.422 . . . . 0.0 110.199 172.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.77 -55.45 28.87 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 121.109 -0.994 . . . . 0.0 111.533 177.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.6 mm -52.2 -65.83 0.26 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.175 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 176.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.443 ' CD1' HD23 ' A' ' 29' ' ' LEU . 7.7 t80 -28.77 -65.36 0.09 Allowed 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 126.121 1.768 . . . . 0.0 111.404 170.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . 0.358 1.9 m-70 -76.94 -8.19 56.94 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 117.09 2.255 . . . . 0.0 117.09 -175.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -56.76 -42.89 80.14 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 121.223 1.828 . . . . 0.0 108.045 166.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.504 ' CD2' HD12 ' A' ' 37' ' ' LEU . 94.4 m-85 -73.34 3.84 5.39 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.896 0.878 . . . . 0.0 112.892 -177.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 38.6 m . . . . . 0 N--CA 1.455 -0.198 0 O-C-N 121.492 -0.755 . . . . 0.0 111.663 168.63 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.541 0.611 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.6 p80 -72.15 -35.29 69.02 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 120.467 1.485 . . . . 0.0 107.95 168.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.44 172.54 6.92 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 127.466 2.306 . . . . 0.0 107.189 167.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.443 HD23 ' CD1' ' A' ' 16' ' ' PHE . 4.0 pp -112.14 -179.81 3.79 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 120.955 -1.091 . . . . 0.0 109.361 173.221 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.4 t -109.4 144.59 37.4 Favored 'General case' 0 C--N 1.343 0.325 0 CA-C-N 119.195 0.907 . . . . 0.0 112.994 -177.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.5 pttm -56.55 -37.42 70.5 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.674 1.189 . . . . 0.0 112.613 -175.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -62.5 -54.35 41.28 Favored 'General case' 0 CA--C 1.528 0.125 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 -177.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.2 mp0 -60.57 -41.43 94.59 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 124.507 1.123 . . . . 0.0 109.078 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 26.7 tp -50.73 -38.91 50.16 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 120.805 -1.184 . . . . 0.0 111.987 172.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.401 ' NZ ' ' OD1' ' A' ' 59' ' ' ASP . 35.6 mttm -72.48 -17.29 61.77 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.519 -0.738 . . . . 0.0 111.67 178.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -77.49 -41.16 40.46 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.232 -0.917 . . . . 0.0 108.681 166.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.504 HD12 ' CD2' ' A' ' 19' ' ' TYR . 3.6 tt -54.66 -63.92 1.0 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.172 1.389 . . . . 0.0 110.024 179.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.6 tt -44.38 -44.22 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 C-N-CA 124.338 1.055 . . . . 0.0 112.792 -171.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -55.09 -48.97 72.83 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 123.551 0.74 . . . . 0.0 111.922 -174.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.23 -86.66 0.25 Allowed 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 117.932 0.333 . . . . 0.0 111.793 -176.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -50.32 -45.01 54.49 Favored 'General case' 0 C--O 1.232 0.132 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 -167.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.9 mt -69.37 -1.54 8.59 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -175.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.5 m 63.64 31.77 14.31 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.48 1.037 . . . . 0.0 111.334 167.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.5 tp . . . . . 0 CA--C 1.534 0.327 0 O-C-N 121.33 -0.856 . . . . 0.0 110.961 -178.579 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 tt . . . . . 0 CA--C 1.536 0.432 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 41.7 tpp -57.87 -40.62 80.61 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.246 -0.909 . . . . 0.0 111.767 176.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.46 ' C ' ' H ' ' A' ' 60' ' ' LEU . 61.2 m-20 -70.13 -0.44 7.76 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 113.93 1.085 . . . . 0.0 113.93 176.017 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.401 ' OD1' ' NZ ' ' A' ' 35' ' ' LYS . 0.5 OUTLIER -68.93 27.92 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 119.404 1.002 . . . . 0.0 111.221 168.024 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.46 ' H ' ' C ' ' A' ' 58' ' ' ASP . 84.8 mt -56.3 -23.85 39.46 Favored 'General case' 0 C--N 1.344 0.365 0 C-N-CA 126.561 1.944 . . . . 0.0 111.92 -175.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -52.8 -22.92 5.93 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 123.875 0.87 . . . . 0.0 111.579 169.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.1 ptp85 -53.54 -18.36 2.77 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 172.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -28.03 -63.03 0.1 Allowed 'General case' 0 C--N 1.345 0.373 0 C-N-CA 128.121 2.568 . . . . 0.0 114.008 -173.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.77 -53.52 0.14 Allowed 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 169.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -68.53 -43.73 76.08 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 119.312 -0.375 . . . . 0.0 111.312 -169.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 70.08 -63.15 0.41 Allowed 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 126.292 1.837 . . . . 0.0 110.301 -178.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.03 71.2 1.08 Allowed 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 105.182 -2.155 . . . . 0.0 105.182 165.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.429 HG22 HD11 ' A' ' 29' ' ' LEU . 35.0 m -59.96 155.0 3.51 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 -167.261 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -103.74 176.85 5.02 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 127.785 2.434 . . . . 0.0 106.811 168.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -57.58 -48.64 78.81 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 -175.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . 0.308 0.0 OUTLIER -54.72 -43.14 72.33 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 118.228 -0.892 . . . . 0.0 113.021 179.436 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -70.68 -46.04 63.93 Favored 'General case' 0 C--O 1.227 -0.099 0 CA-C-N 119.957 1.253 . . . . 0.0 111.487 177.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -46.22 -48.04 17.82 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.194 0.598 . . . . 0.0 110.033 172.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 14.2 mm -66.57 -53.6 33.99 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 CA-C-O 118.916 -0.564 . . . . 0.0 111.269 177.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 64.9 m -47.24 -48.46 24.38 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.857 0.837 . . . . 0.0 109.538 -179.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -57.82 -62.39 1.84 Allowed 'General case' 0 N--CA 1.44 -0.95 0 C-N-CA 126.112 1.765 . . . . 0.0 111.211 175.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.75 -42.56 75.6 Favored 'General case' 0 C--N 1.339 0.137 0 CA-C-N 118.769 0.713 . . . . 0.0 110.92 -175.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -62.41 -47.73 87.33 Favored Glycine 0 CA--C 1.529 0.935 0 CA-C-O 119.34 -0.7 . . . . 0.0 112.486 175.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.82 -46.87 78.0 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.873 1.337 . . . . 0.0 110.453 176.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 73.9 mt -61.07 -46.29 91.29 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 122.548 0.339 . . . . 0.0 110.546 176.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.01 -41.02 74.26 Favored 'General case' 0 C--O 1.227 -0.121 0 C-N-CA 123.634 0.774 . . . . 0.0 111.177 177.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -53.13 -26.94 18.43 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 173.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 44.1 mt -89.2 -68.82 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 173.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 19.6 p90 -66.83 -38.07 85.71 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 112.778 0.658 . . . . 0.0 112.778 -168.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -91.56 23.57 3.44 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.893 1.277 . . . . 0.0 111.621 -176.406 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 . . . . . 0 N--CA 1.449 -0.505 0 CA-C-O 122.44 1.114 . . . . 0.0 111.748 -176.353 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.279 0 CA-C-O 121.241 0.543 . . . . 0.0 110.653 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 95.2 mt -56.5 -47.26 82.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 175.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.2 -52.18 18.52 Favored Glycine 0 CA--C 1.53 0.975 0 C-N-CA 124.213 0.911 . . . . 0.0 112.127 173.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 63.3 tp -57.86 -49.82 75.39 Favored 'General case' 0 CA--C 1.529 0.168 0 O-C-N 121.875 -0.779 . . . . 0.0 109.948 178.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 65.8 mt -57.8 -41.9 83.07 Favored 'General case' 0 CA--C 1.535 0.404 0 O-C-N 122.185 -0.322 . . . . 0.0 111.457 178.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 91.2 mt -60.58 -43.35 94.43 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.127 0 C-N-CA 124.271 1.028 . . . . 0.0 109.553 174.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.76 -59.24 11.2 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 176.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 32.9 mm -54.28 -47.07 68.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 122.99 0.516 . . . . 0.0 110.104 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -51.13 -74.89 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.668 1.187 . . . . 0.0 110.982 171.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -84.49 10.39 11.01 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 116.861 2.171 . . . . 0.0 116.861 -168.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -57.94 -46.69 84.67 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 106.18 -1.785 . . . . 0.0 106.18 164.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -61.57 131.36 49.81 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 114.236 -1.347 . . . . 0.0 109.913 169.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 13.7 p -169.95 -13.74 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 114.82 -1.082 . . . . 0.0 113.488 -166.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.75 0 C-N-CA 127.7 2.572 . . . . 0.0 111.694 171.55 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 30.1 mmtm . . . . . 0 CA--C 1.534 0.361 0 CA-C-O 118.954 -0.546 . . . . 0.0 111.83 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 15.4 p-80 -93.01 -33.89 13.94 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 169.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.9 169.87 8.23 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 125.757 1.623 . . . . 0.0 109.77 174.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 40.4 mt -98.26 134.02 41.86 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 168.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 5.7 m -75.81 67.47 2.23 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.521 0.729 . . . . 0.0 111.916 -175.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 49.0 mttm 42.94 -78.01 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 128.925 2.89 . . . . 0.0 115.296 174.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -43.89 -47.42 8.34 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 124.467 1.107 . . . . 0.0 109.405 175.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -43.48 -59.11 2.28 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 125.055 1.342 . . . . 0.0 111.291 173.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -62.78 -44.5 96.01 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 123.443 0.697 . . . . 0.0 110.111 -178.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -61.91 -19.22 62.46 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.736 -0.602 . . . . 0.0 112.001 177.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -82.58 -48.0 11.48 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.451 1.023 . . . . 0.0 110.675 169.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 tt -44.58 -51.29 9.13 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 126.184 1.794 . . . . 0.0 110.269 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 21.2 pt -56.6 -38.03 55.16 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.102 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -71.83 -58.1 3.76 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 -175.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.39 -71.22 0.63 Allowed 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.757 -171.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 43.0 mp0 -59.07 -37.47 77.16 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.256 1.023 . . . . 0.0 113.536 -169.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 17.7 mt -70.35 -0.99 9.22 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 119.849 1.204 . . . . 0.0 113.308 175.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m 92.1 -2.28 0.16 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 126.552 1.941 . . . . 0.0 111.857 169.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 28.7 mt -58.9 -56.28 17.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-N 119.589 1.086 . . . . 0.0 110.292 -172.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.78 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 175.501 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 t70 . . . . . 0 N--CA 1.464 0.257 0 N-CA-C 115.154 1.539 . . . . 0.0 115.154 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -63.73 0.82 0.72 Allowed 'General case' 0 CA--C 1.557 1.223 0 O-C-N 121.437 -0.789 . . . . 0.0 111.341 166.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.7 pp -48.73 -12.59 0.04 OUTLIER 'General case' 0 C--N 1.345 0.384 0 C-N-CA 127.712 2.405 . . . . 0.0 114.541 169.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -47.24 -26.99 1.34 Allowed 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 120.155 1.343 . . . . 0.0 110.157 165.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 7.8 ptp85 -54.89 -12.88 0.9 Allowed 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 114.028 1.121 . . . . 0.0 114.028 175.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 -29.04 -49.55 0.08 Allowed 'General case' 0 C--N 1.342 0.252 0 C-N-CA 128.677 2.791 . . . . 0.0 113.683 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 18.7 pttm -150.32 -52.26 0.14 Allowed 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.422 0.289 . . . . 0.0 111.076 -174.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -114.66 -46.64 2.94 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.418 1.087 . . . . 0.0 112.944 -168.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . 0.313 4.3 pt20 43.68 41.38 3.54 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.963 0.905 . . . . 0.0 112.687 -164.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -107.45 69.24 0.74 Allowed 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 101.46 -3.533 . . . . 0.0 101.46 165.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 43.2 t -67.29 100.09 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.697 0 CA-C-O 122.584 1.183 . . . . 0.0 113.023 -166.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -88.34 -162.48 0.84 Allowed 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 104.663 -2.347 . . . . 0.0 104.663 164.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -63.81 -26.49 68.65 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 120.606 -1.308 . . . . 0.0 111.49 -176.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -60.29 -71.47 0.13 Allowed 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 118.703 -0.665 . . . . 0.0 112.266 -172.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -57.29 -41.7 80.29 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 120.186 1.357 . . . . 0.0 111.227 -175.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -44.65 -64.46 0.69 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.852 0.861 . . . . 0.0 110.314 170.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 3.6 tp -67.86 -30.62 48.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 O-C-N 121.494 -0.754 . . . . 0.0 110.798 -173.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 51.8 m -54.17 -53.98 45.98 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 118.774 -0.631 . . . . 0.0 110.522 170.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.74 -46.8 86.39 Favored 'General case' 0 C--N 1.343 0.315 0 C-N-CA 118.659 -1.217 . . . . 0.0 111.606 178.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 4.7 mp -48.12 -52.91 18.46 Favored 'General case' 0 C--N 1.343 0.316 0 CA-C-N 119.002 0.819 . . . . 0.0 109.905 175.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.67 -48.67 60.59 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 123.799 0.714 . . . . 0.0 112.591 176.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.71 -53.8 54.24 Favored 'General case' 0 CA--C 1.527 0.072 0 C-N-CA 123.463 0.705 . . . . 0.0 111.056 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 93.1 mt -60.62 -43.56 97.35 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 178.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -47.51 -53.58 13.93 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.968 1.307 . . . . 0.0 113.612 -169.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 93.5 mtp -49.2 -33.69 13.04 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 118.629 0.65 . . . . 0.0 111.683 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 37.7 mm -90.48 -73.39 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 C-N-CA 123.516 0.727 . . . . 0.0 109.917 177.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . 0.254 0.0 OUTLIER -74.92 -22.14 58.78 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 -168.036 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -93.7 22.78 5.2 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 123.729 0.812 . . . . 0.0 110.173 169.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 . . . . . 0 N--CA 1.445 -0.692 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 171.145 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.0 mm . . . . . 0 CA--C 1.536 0.412 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.43 -45.25 11.45 Favored Glycine 0 CA--C 1.522 0.53 0 C-N-CA 127.076 2.274 . . . . 0.0 112.631 174.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 93.0 mt -54.64 -54.73 37.69 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 118.863 1.331 . . . . 0.0 110.075 175.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.38 -40.34 90.5 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.4 mt -61.32 -38.21 79.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 O-C-N 121.741 -0.6 . . . . 0.0 110.776 173.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.55 -61.48 6.99 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 109.427 -1.469 . . . . 0.0 109.427 174.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.1 mp -53.9 -42.19 52.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 178.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.42 ' CD1' ' HB2' ' A' ' 29' ' ' LEU . 52.0 t80 -44.4 -75.56 0.03 OUTLIER 'General case' 0 C--N 1.342 0.262 0 C-N-CA 124.147 0.979 . . . . 0.0 112.213 -170.279 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.22 -17.58 60.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 118.196 -0.907 . . . . 0.0 111.889 -178.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -54.05 -37.3 64.0 Favored 'General case' 0 C--N 1.346 0.427 0 CA-C-N 120.006 1.275 . . . . 0.0 109.187 169.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -74.69 52.85 0.53 Allowed 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 121.961 0.886 . . . . 0.0 110.92 172.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.1 m . . . . . 0 CA--C 1.532 0.251 0 C-N-CA 127.244 2.217 . . . . 0.0 109.905 167.053 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 45.1 tttp . . . . . 0 CA--C 1.538 0.501 0 CA-C-O 117.893 -1.051 . . . . 0.0 113.183 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.2 p80 -88.48 -147.75 0.16 Allowed 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 120.502 1.501 . . . . 0.0 110.966 -172.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.2 p -58.41 165.86 1.94 Allowed 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 126.195 1.798 . . . . 0.0 111.057 169.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.42 ' HB2' ' CD1' ' A' ' 16' ' ' PHE . 5.6 tt -84.74 148.85 26.14 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 104.468 -2.419 . . . . 0.0 104.468 166.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.4 t -102.19 136.25 42.34 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.872 0.844 . . . . 0.0 111.107 -174.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.6 ptpp? -49.9 -23.65 2.07 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.28 -66.07 0.59 Allowed 'General case' 0 C--N 1.341 0.215 0 CA-C-N 119.597 1.09 . . . . 0.0 109.825 175.047 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.7 mp0 -62.3 -29.59 70.54 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -175.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 26.6 tp -46.91 -40.27 13.83 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 118.071 -0.966 . . . . 0.0 111.238 169.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.29 -40.21 47.8 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-N 119.526 1.057 . . . . 0.0 111.763 178.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -71.38 -51.07 26.07 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 -178.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 tt -52.62 -53.37 47.75 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.261 -1.336 . . . . 0.0 109.463 -173.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.4 pt -65.61 -14.39 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.125 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -173.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -94.42 -73.82 0.56 Allowed 'General case' 0 N--CA 1.449 -0.504 0 O-C-N 121.556 -0.715 . . . . 0.0 109.795 169.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -69.79 -67.23 0.5 Allowed 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.956 -167.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -64.14 -38.48 91.21 Favored 'General case' 0 CA--C 1.526 0.057 0 C-N-CA 122.16 0.184 . . . . 0.0 110.77 -170.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.4 mt -65.62 -54.7 24.12 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.38 173.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.4 m 72.51 148.07 0.09 Allowed 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.252 0.933 . . . . 0.0 111.85 -178.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 17.8 pt . . . . . 0 CA--C 1.539 0.557 0 O-C-N 120.658 -1.276 . . . . 0.0 109.974 168.972 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.7 tt . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 73.7 mtm -61.1 -52.23 65.78 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 120.905 0.384 . . . . 0.0 110.249 179.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -49.16 -44.59 42.89 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.859 1.263 . . . . 0.0 111.577 174.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -50.48 -33.99 23.36 Favored 'General case' 0 C--O 1.224 -0.255 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -173.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 67.9 mt -56.35 -29.33 61.24 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.305 1.042 . . . . 0.0 112.606 -173.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -60.29 -16.28 32.93 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.733 -0.604 . . . . 0.0 112.108 177.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -55.5 -22.54 21.58 Favored 'General case' 0 C--N 1.34 0.181 0 C-N-CA 124.394 1.077 . . . . 0.0 113.558 172.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -40.78 -50.72 3.15 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 114.336 1.236 . . . . 0.0 114.336 -176.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.1 pttm -79.78 18.75 0.74 Allowed 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 118.175 -0.917 . . . . 0.0 111.331 -174.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -28.5 -66.87 0.08 Allowed 'General case' 0 CA--C 1.509 -0.616 0 C-N-CA 127.425 2.29 . . . . 0.0 110.714 -178.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 50.7 -80.5 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.685 0 O-C-N 125.666 1.854 . . . . 0.0 108.952 -167.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -144.56 131.32 20.15 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 103.963 -2.606 . . . . 0.0 103.963 161.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.5 t -46.2 120.98 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 -163.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -102.15 147.72 26.28 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.559 1.544 . . . . 0.0 109.346 -170.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -63.1 -44.9 94.37 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-O 119.098 -0.477 . . . . 0.0 110.507 -170.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -46.98 -56.49 6.32 Favored 'General case' 0 C--O 1.223 -0.31 0 O-C-N 123.672 0.608 . . . . 0.0 109.564 175.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -55.71 -65.77 0.54 Allowed 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -40.3 -51.65 2.74 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.609 1.164 . . . . 0.0 112.103 -178.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 5.8 tp -81.42 -34.91 13.54 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 123.122 0.569 . . . . 0.0 112.175 -174.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 45.9 m -56.42 -47.43 79.07 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 172.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -64.7 -59.59 4.08 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 128.211 2.604 . . . . 0.0 109.424 -174.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 19.7 mt -46.99 -45.6 21.11 Favored 'General case' 0 C--N 1.343 0.319 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 169.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.54 -53.81 40.79 Favored Glycine 0 CA--C 1.527 0.826 0 C-N-CA 125.51 1.529 . . . . 0.0 113.096 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.02 -47.97 81.46 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.063 0.945 . . . . 0.0 109.461 -177.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 70.8 mt -61.16 -52.92 62.82 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 176.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -48.53 -60.2 2.89 Favored 'General case' 0 CA--C 1.516 -0.337 0 C-N-CA 126.041 1.736 . . . . 0.0 110.367 -176.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -34.23 -57.65 0.48 Allowed 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 126.077 1.751 . . . . 0.0 110.055 178.018 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 31.4 mm -75.52 -71.27 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 C-N-CA 123.715 0.806 . . . . 0.0 110.995 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . 0.284 0.0 OUTLIER -69.69 -9.82 55.84 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 116.336 1.976 . . . . 0.0 116.336 -165.209 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.25 -70.36 0.27 Allowed 'General case' 0 C--N 1.342 0.266 0 CA-C-N 119.907 1.23 . . . . 0.0 109.005 171.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 . . . . . 0 N--CA 1.455 -0.196 0 C-N-CA 125.814 1.646 . . . . 0.0 110.874 -179.708 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.17 0 CA-C-O 121.002 0.43 . . . . 0.0 110.248 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 19.4 mm -51.61 -44.81 35.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 C-N-CA 123.699 0.799 . . . . 0.0 109.378 171.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -51.07 -45.02 51.57 Favored Glycine 0 CA--C 1.523 0.562 0 C-N-CA 126.7 2.095 . . . . 0.0 111.692 176.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 73.0 mt -56.75 -53.42 58.04 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 118.765 1.283 . . . . 0.0 109.674 174.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 73.1 mt -56.11 -43.28 77.99 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 122.649 0.38 . . . . 0.0 110.938 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.41 -34.78 67.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 123.722 0.809 . . . . 0.0 111.109 177.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.02 -47.66 64.12 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.088 -1.205 . . . . 0.0 110.088 178.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 78.4 mt -61.36 -48.9 86.75 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 C-N-CA 125.928 1.691 . . . . 0.0 109.765 177.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -29.93 -71.13 0.05 OUTLIER 'General case' 0 C--O 1.225 -0.185 0 C-N-CA 127.236 2.215 . . . . 0.0 113.683 -170.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -92.05 3.02 56.18 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -175.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.12 -34.8 64.02 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 119.159 0.89 . . . . 0.0 111.013 176.619 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -55.34 -38.82 69.26 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 124.178 0.991 . . . . 0.0 111.294 176.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 67.3 m -73.21 5.53 3.46 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-O 118.446 -0.788 . . . . 0.0 112.888 175.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.128 0 CA-C-N 119.702 1.137 . . . . 0.0 114.261 -174.648 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.574 0 CA-C-O 121.022 0.439 . . . . 0.0 111.753 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -73.55 44.84 0.17 Allowed 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 116.594 2.072 . . . . 0.0 116.594 -163.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 10.8 p -150.05 134.0 16.96 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.932 2.093 . . . . 0.0 105.726 168.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 2.5 tt -88.61 115.26 26.01 Favored 'General case' 0 CA--C 1.528 0.125 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -169.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.6 p -62.67 130.79 46.58 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 121.594 -0.691 . . . . 0.0 111.041 177.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 2.4 pttm -46.13 -45.15 16.35 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 122.874 0.47 . . . . 0.0 112.156 -179.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 17.9 pttp -68.8 -17.29 64.0 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -176.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -93.83 -7.56 42.96 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 119.482 1.037 . . . . 0.0 112.043 168.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 9.3 tp -67.2 -33.54 75.6 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.901 0.773 . . . . 0.0 110.265 171.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 3.0 pptp? -41.36 -53.47 3.29 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 119.117 0.871 . . . . 0.0 112.376 176.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -42.99 -48.9 6.03 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 125.207 1.403 . . . . 0.0 112.235 174.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 tt -72.44 -46.75 53.55 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 125.916 1.686 . . . . 0.0 108.767 -171.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 2.2 pt -72.72 -49.62 39.3 Favored 'Isoleucine or valine' 0 C--N 1.341 0.233 0 CA-C-O 118.986 -0.53 . . . . 0.0 111.648 -177.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -50.1 -50.01 49.77 Favored 'General case' 0 C--N 1.339 0.119 0 CA-C-N 118.609 0.641 . . . . 0.0 110.254 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -94.19 -102.93 0.14 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.238 0.615 . . . . 0.0 112.349 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -30.49 -64.2 0.13 Allowed 'General case' 0 C--N 1.343 0.319 0 C-N-CA 129.155 2.982 . . . . 0.0 114.511 -168.09 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.4 HD21 ' CE2' ' B' ' 76' ' ' PHE 0.402 2.2 pp -89.5 15.16 9.79 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 -169.289 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 45.6 p -133.29 -166.67 1.8 Allowed 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 167.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . 0.271 61.2 mt 78.99 -47.41 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 125.997 1.719 . . . . 0.0 112.204 178.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.112 0 N-CA-C 108.793 -1.723 . . . . 0.0 108.793 168.323 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . 0.458 ' C ' ' H ' ' B' ' 60' ' ' LEU . 72.1 m-20 . . . . . 0 CA--C 1.517 -0.323 0 CA-C-O 118.214 -0.898 . . . . 0.0 113.174 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -69.67 27.96 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 120.101 1.319 . . . . 0.0 110.136 165.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.458 ' H ' ' C ' ' B' ' 58' ' ' ASP . 39.2 tp -60.25 -23.91 64.46 Favored 'General case' 0 C--N 1.343 0.304 0 C-N-CA 127.173 2.189 . . . . 0.0 112.542 -169.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -61.28 -7.29 2.73 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 125.56 1.544 . . . . 0.0 112.57 167.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 10.0 ttm105 -25.19 -37.55 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 131.076 3.75 . . . . 0.0 116.374 -172.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -47.7 -23.62 0.74 Allowed 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 171.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -6.5 1.5 Allowed 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 114.857 1.428 . . . . 0.0 114.857 173.056 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -26.56 -48.42 0.03 OUTLIER 'General case' 0 C--N 1.343 0.29 0 C-N-CA 127.06 2.144 . . . . 0.0 115.79 -169.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -48.56 -65.5 0.56 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 122.625 0.37 . . . . 0.0 111.862 177.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -169.33 153.23 5.22 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 130.422 3.489 . . . . 0.0 105.192 170.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 1.8 t -85.99 121.64 37.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 C-N-CA 123.601 0.76 . . . . 0.0 108.969 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -86.06 164.58 17.24 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 168.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -55.35 -41.72 72.91 Favored 'General case' 0 N--CA 1.454 -0.226 0 O-C-N 121.903 -0.498 . . . . 0.0 111.351 -172.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -58.23 -55.12 39.13 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -176.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -56.87 -52.53 64.77 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 121.731 -0.606 . . . . 0.0 109.739 178.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -45.92 -55.52 6.63 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.582 1.153 . . . . 0.0 111.512 177.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 11.0 tp -75.96 -36.92 33.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 O-C-N 121.845 -0.535 . . . . 0.0 111.501 -173.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 82.2 m -55.12 -53.53 54.71 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 122.124 0.964 . . . . 0.0 109.021 173.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.4 ' CE2' HD21 ' B' ' 42' ' ' LEU . 32.6 t80 -55.6 -56.51 19.44 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 126.366 1.866 . . . . 0.0 111.044 178.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 16.7 mt -48.0 -48.58 32.56 Favored 'General case' 0 C--O 1.224 -0.246 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 173.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.76 -60.13 7.28 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 124.31 0.957 . . . . 0.0 112.827 175.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.71 -50.0 71.52 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.539 0.735 . . . . 0.0 110.397 -176.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 95.2 mt -66.85 -46.03 76.32 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 119.488 -0.291 . . . . 0.0 111.123 -178.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -48.44 -48.44 37.43 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 124.756 1.223 . . . . 0.0 111.723 -174.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 86.4 mtp -45.25 -43.18 10.2 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.437 0.695 . . . . 0.0 111.387 176.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 33.0 mm -90.3 -62.2 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 C-N-CA 123.714 0.806 . . . . 0.0 110.326 -175.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -74.75 -32.23 62.02 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -168.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.38 -84.6 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 119.384 0.993 . . . . 0.0 112.358 -167.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 . . . . . 0 C--O 1.234 0.248 0 C-N-CA 124.916 1.286 . . . . 0.0 110.54 -174.117 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.4 mp . . . . . 0 CA--C 1.537 0.459 0 N-CA-C 107.686 -1.228 . . . . 0.0 107.686 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.42 -44.83 11.25 Favored Glycine 0 C--O 1.225 -0.415 0 C-N-CA 127.78 2.61 . . . . 0.0 112.01 -179.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.72 -52.66 55.29 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 117.789 0.794 . . . . 0.0 109.999 176.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.1 mp -69.2 -37.38 78.08 Favored 'General case' 0 CA--C 1.531 0.233 0 O-C-N 121.707 -0.621 . . . . 0.0 110.819 -177.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.5 mm -60.5 -43.14 93.68 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 O-C-N 121.665 -0.647 . . . . 0.0 110.445 173.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.71 -57.87 14.44 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 109.9 -1.28 . . . . 0.0 109.9 174.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 75.0 mt -56.31 -47.4 81.24 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 C-N-CA 122.974 0.509 . . . . 0.0 111.261 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -38.46 -62.7 0.57 Allowed 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 115.726 1.751 . . . . 0.0 115.726 -167.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -82.77 9.47 9.67 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -174.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 tptp -64.62 -34.33 78.03 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 119.218 0.917 . . . . 0.0 112.366 -176.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.407 ' CZ ' ' HG ' ' A' ' 37' ' ' LEU . 86.3 m-85 -72.44 156.3 39.19 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 -166.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 96.1 p . . . . . 0 N--CA 1.454 -0.23 0 C-N-CA 128.437 2.695 . . . . 0.0 114.932 -174.267 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm . . . . . 0 N--CA 1.451 -0.376 0 N-CA-C 102.025 -3.324 . . . . 0.0 102.025 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.3 p-80 -51.74 -38.2 54.32 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 126.637 1.975 . . . . 0.0 110.724 -169.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.1 p -134.57 150.14 50.7 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 106.166 -1.79 . . . . 0.0 106.166 168.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -107.43 179.42 4.25 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.962 1.705 . . . . 0.0 107.913 174.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.2 p -158.71 96.79 1.4 Allowed 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.092 -1.005 . . . . 0.0 110.297 -178.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.283 0.1 OUTLIER 58.02 -61.63 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 128.622 2.769 . . . . 0.0 115.901 175.196 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.08 -42.23 85.12 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.508 0.723 . . . . 0.0 110.009 -172.101 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 59.2 mp0 -60.49 -46.49 89.93 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 175.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -60.81 -39.92 90.78 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 -176.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -61.75 -45.09 95.39 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 118.076 0.398 . . . . 0.0 111.844 171.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -55.97 -35.97 67.33 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 121.753 0.787 . . . . 0.0 111.371 173.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.462 ' CD2' ' HG ' ' A' ' 42' ' ' LEU . 4.9 tt -89.02 -78.89 0.33 Allowed 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 127.262 2.225 . . . . 0.0 111.889 -168.27 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 7.5 pt -54.91 -37.77 42.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.175 0 C-N-CA 123.746 0.818 . . . . 0.0 112.599 -166.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -68.06 -29.96 69.05 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 122.943 0.497 . . . . 0.0 110.728 -175.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -91.73 -62.31 1.45 Allowed 'General case' 0 C--O 1.235 0.291 0 C-N-CA 123.015 0.526 . . . . 0.0 110.624 175.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.3 mp0 -86.47 -100.69 0.07 Allowed 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.084 0.954 . . . . 0.0 111.968 -169.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.462 ' HG ' ' CD2' ' A' ' 37' ' ' LEU . 23.0 mt -28.66 -93.51 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 116.967 2.21 . . . . 0.0 116.967 -164.217 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.9 p -81.39 48.54 1.17 Allowed 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 124.203 1.001 . . . . 0.0 112.799 -166.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.8 tt . . . . . 0 CA--C 1.527 0.074 0 C-N-CA 124.311 1.044 . . . . 0.0 109.273 175.716 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 64.3 tp . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.3 tpt -62.22 -53.66 52.05 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.091 0.405 . . . . 0.0 110.993 -177.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -35.01 -64.46 0.27 Allowed 'General case' 0 C--N 1.337 0.065 0 C-N-CA 126.374 1.869 . . . . 0.0 110.659 -176.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -55.96 -13.07 1.66 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.886 1.674 . . . . 0.0 114.412 -169.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.0 mt -90.74 -36.42 14.31 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.919 1.288 . . . . 0.0 111.766 -175.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -54.64 -45.58 73.81 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-O 121.374 0.607 . . . . 0.0 109.616 -177.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 25.3 ptt85 -65.24 23.14 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.496 1.918 . . . . 0.0 114.634 174.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -29.51 -34.43 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 129.77 3.228 . . . . 0.0 117.412 -176.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -72.86 57.05 0.43 Allowed 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 119.665 1.121 . . . . 0.0 109.714 172.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -55.04 -24.15 23.43 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.644 1.578 . . . . 0.0 110.947 176.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -57.98 -47.83 81.81 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.286 0.634 . . . . 0.0 112.656 170.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -154.91 112.05 3.33 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 126.351 1.86 . . . . 0.0 107.613 -169.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.4 t -115.9 126.11 73.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -176.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -110.54 179.62 4.02 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 125.118 1.367 . . . . 0.0 108.563 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -53.27 -39.78 64.16 Favored 'General case' 0 C--O 1.221 -0.397 0 C-N-CA 123.373 0.669 . . . . 0.0 109.327 172.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.22 -53.85 31.21 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.459 1.104 . . . . 0.0 111.028 -177.476 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 58.4 mp0 -64.89 -55.33 20.02 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 177.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -45.65 -41.59 10.46 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.981 1.312 . . . . 0.0 112.826 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 9.3 tp -82.57 -45.21 19.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.291 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.0 m -48.35 -46.7 37.05 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 119.465 1.03 . . . . 0.0 109.875 176.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -50.21 -55.86 13.49 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 127.305 2.242 . . . . 0.0 111.688 177.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 92.9 mt -58.07 -48.62 79.59 Favored 'General case' 0 C--O 1.224 -0.24 0 O-C-N 121.72 -0.613 . . . . 0.0 109.667 171.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -43.96 -37.28 4.14 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 126.165 1.841 . . . . 0.0 113.495 175.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -82.97 -60.49 2.14 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 117.763 0.782 . . . . 0.0 112.396 173.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -78.82 -34.06 45.59 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 -166.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . 0.312 . . -61.91 -21.94 65.17 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 117.25 2.315 . . . . 0.0 117.25 -166.271 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 2.1 mmm -69.89 -35.68 74.82 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 120.725 1.602 . . . . 0.0 108.064 173.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 30.6 mm -69.59 -53.11 26.29 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 -179.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -91.27 -49.47 6.35 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 114.946 1.462 . . . . 0.0 114.946 -170.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -95.23 -104.73 0.15 Allowed 'General case' 0 C--N 1.346 0.428 0 CA-C-N 119.932 1.242 . . . . 0.0 111.377 -170.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 . . . . . 0 N--CA 1.445 -0.721 1 C-N-CA 131.798 4.039 . . . . 0.0 104.552 176.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.7 mp -58.09 -53.93 39.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 175.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.28 -46.0 28.09 Favored Glycine 0 CA--C 1.532 1.141 0 CA-C-N 118.33 0.514 . . . . 0.0 111.861 176.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 49.2 tp -56.02 -27.4 52.89 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.24 1.016 . . . . 0.0 112.044 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.75 -43.04 99.63 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 120.408 1.458 . . . . 0.0 110.639 174.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -68.11 -42.24 84.87 Favored 'Isoleucine or valine' 0 C--N 1.342 0.271 0 CA-C-N 118.762 0.71 . . . . 0.0 109.258 169.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -46.11 -59.21 5.23 Favored Glycine 0 CA--C 1.533 1.204 0 CA-C-N 118.806 0.73 . . . . 0.0 111.851 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 21.5 mm -58.34 -52.74 55.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 125.435 1.494 . . . . 0.0 110.069 176.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . 0.431 ' CD2' ' HD2' ' B' ' 70' ' ' PHE . 5.7 t80 -37.14 -76.44 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 125.165 1.386 . . . . 0.0 114.456 -167.49 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -71.04 -21.19 62.29 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 122.253 -0.279 . . . . 0.0 111.464 -176.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.32 -33.85 72.0 Favored 'General case' 0 C--N 1.341 0.206 0 O-C-N 121.496 -0.752 . . . . 0.0 109.699 -179.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -78.51 53.44 1.3 Allowed 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 121.995 0.902 . . . . 0.0 111.132 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 7.1 m -129.67 25.85 5.34 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 126.216 1.807 . . . . 0.0 110.135 168.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.618 0 C-N-CA 126.435 1.969 . . . . 0.0 113.905 168.048 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 39.5 mmtm . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 14.2 p80 -76.88 60.87 1.83 Allowed 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.444 0.698 . . . . 0.0 109.9 -177.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 3.3 p -163.61 162.69 24.43 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 128.175 2.59 . . . . 0.0 105.48 -171.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 mp -111.36 131.4 55.2 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 104.833 -2.284 . . . . 0.0 104.833 168.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 28.0 m -87.97 152.93 21.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 118.558 0.617 . . . . 0.0 110.722 -174.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 7.4 pttm -59.73 140.63 56.34 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.878 -0.514 . . . . 0.0 109.866 175.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . 0.409 0.0 OUTLIER 92.04 -41.71 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 129.979 3.311 . . . . 0.0 110.834 -169.674 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 58.3 mp0 -66.56 -36.36 82.45 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.902 1.228 . . . . 0.0 111.45 174.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.91 -49.5 75.92 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 119.497 1.044 . . . . 0.0 109.544 174.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.77 -25.85 12.52 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.184 0.594 . . . . 0.0 111.3 171.196 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -77.86 -58.93 3.0 Favored 'General case' 0 N--CA 1.449 -0.514 0 O-C-N 121.048 -1.033 . . . . 0.0 111.502 177.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . 0.278 4.0 pp -53.67 -41.83 67.27 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -178.123 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 20.8 tt -60.86 -34.53 59.78 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 120.294 -0.563 . . . . 0.0 111.754 178.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 11.8 tp60 -72.45 -60.79 2.06 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 119.187 -0.435 . . . . 0.0 111.131 -169.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 16.2 mtmm -93.57 -63.68 1.18 Allowed 'General case' 0 CA--C 1.529 0.168 0 CA-C-O 121.57 0.7 . . . . 0.0 110.361 -175.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 33.5 mp0 -54.2 -55.46 27.74 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 126.803 2.041 . . . . 0.0 111.473 -167.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 22.1 mt -63.06 -9.68 11.37 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 178.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 32.1 m 73.22 -68.08 0.24 Allowed 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 125.227 1.411 . . . . 0.0 113.201 168.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 43.6 pt 38.53 44.63 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 126.784 2.034 . . . . 0.0 113.477 -178.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.608 0 N-CA-C 109.207 -1.557 . . . . 0.0 109.207 179.591 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . 0.473 ' C ' ' H ' ' B' ' 60' ' ' LEU . 60.9 m-20 . . . . . 0 CA--C 1.518 -0.263 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -68.2 32.03 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.856 1.662 . . . . 0.0 108.543 163.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.473 ' H ' ' C ' ' B' ' 58' ' ' ASP . 25.4 tp -47.37 -19.89 0.18 Allowed 'General case' 0 C--N 1.348 0.509 0 C-N-CA 129.446 3.098 . . . . 0.0 112.398 -170.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -36.46 -37.26 0.12 Allowed 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.878 2.071 . . . . 0.0 110.021 162.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.65 -10.98 21.7 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 126.483 1.913 . . . . 0.0 113.549 -177.121 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -51.34 -37.69 49.14 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.897 0.879 . . . . 0.0 109.252 168.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . 0.267 18.1 pttp 60.63 -53.43 0.09 Allowed 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 118.191 2.663 . . . . 0.0 118.191 168.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -78.06 32.57 0.18 Allowed 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 120.426 1.466 . . . . 0.0 113.544 -166.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.2 -174.11 0.86 Allowed 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 127.014 2.126 . . . . 0.0 106.735 -177.157 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -110.66 159.69 17.36 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 105.361 -2.089 . . . . 0.0 105.361 165.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 25.0 t -97.07 149.58 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 123.437 0.695 . . . . 0.0 109.251 -168.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -107.12 166.4 10.65 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.717 1.207 . . . . 0.0 110.451 176.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.431 ' HD2' ' CD2' ' B' ' 16' ' ' PHE . 7.4 t80 -48.81 -48.62 41.31 Favored 'General case' 0 C--N 1.343 0.304 0 C-N-CA 124.26 1.024 . . . . 0.0 110.526 -175.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -51.96 -56.23 15.47 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 122.866 0.466 . . . . 0.0 109.775 -174.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -56.0 -50.33 71.15 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 122.859 0.464 . . . . 0.0 110.488 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -48.56 -66.43 0.4 Allowed 'General case' 0 C--O 1.231 0.09 0 C-N-CA 123.733 0.813 . . . . 0.0 110.286 175.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 9.2 tp -62.54 -32.79 56.49 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 -171.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 85.2 m -62.14 -46.48 88.79 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 118.453 -0.784 . . . . 0.0 111.1 174.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . 0.276 0.3 OUTLIER -65.35 -44.22 88.37 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 119.798 1.181 . . . . 0.0 110.597 176.903 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 6.9 mp -51.78 -37.96 53.58 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.436 -0.79 . . . . 0.0 111.224 169.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -69.58 -45.17 60.57 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 124.481 1.039 . . . . 0.0 112.802 178.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.41 -48.68 74.01 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.459 0.703 . . . . 0.0 109.278 174.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 85.7 mt -59.53 -48.54 81.26 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 119.215 -0.421 . . . . 0.0 110.537 171.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -46.02 -57.38 4.48 Favored 'General case' 0 CA--C 1.517 -0.318 0 C-N-CA 125.476 1.51 . . . . 0.0 111.732 -175.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 75.2 mtm -42.85 -47.5 5.58 Favored 'General case' 0 CA--C 1.529 0.168 0 O-C-N 124.268 0.98 . . . . 0.0 110.461 178.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 65.2 mt -77.55 -73.98 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.628 0 C-N-CA 124.061 0.944 . . . . 0.0 110.267 -177.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.45 -25.96 68.24 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 113.348 0.869 . . . . 0.0 113.348 -167.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -68.64 -55.84 10.17 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 119.159 0.891 . . . . 0.0 110.702 -179.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 27.1 pt-20 . . . . . 0 C--N 1.332 -0.192 0 N-CA-C 115.636 1.717 . . . . 0.0 115.636 -174.709 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 43.1 mm . . . . . 0 CA--C 1.534 0.353 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.53 -53.19 13.08 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 123.653 0.644 . . . . 0.0 112.275 169.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.5 mt -57.08 -48.13 79.34 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 121.281 -1.129 . . . . 0.0 110.53 177.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 mp -57.77 -40.74 80.51 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.32 0.648 . . . . 0.0 111.645 178.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 67.4 mt -58.83 -44.57 90.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 C-N-CA 123.856 0.862 . . . . 0.0 109.478 171.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -50.06 -64.21 3.71 Favored Glycine 0 CA--C 1.528 0.859 0 N-CA-C 110.427 -1.069 . . . . 0.0 110.427 171.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.8 mp -52.58 -48.43 47.54 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 117.731 0.765 . . . . 0.0 110.172 -177.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -43.12 -73.82 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 124.351 1.061 . . . . 0.0 110.178 170.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . 0.331 1.0 OUTLIER -75.0 -7.12 52.73 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 115.177 1.547 . . . . 0.0 115.177 -170.811 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -64.0 -20.01 65.59 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 118.738 -0.648 . . . . 0.0 112.406 170.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -87.72 -40.02 14.47 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 120.022 1.283 . . . . 0.0 110.83 -179.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.3 p . . . . . 0 CA--C 1.538 0.51 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 179.306 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? . . . . . 0 CA--C 1.534 0.359 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -167.1 -44.88 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.043 0.937 . . . . 0.0 110.067 169.3 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 48.3 p -98.46 -149.32 0.34 Allowed 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 169.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 21.1 mt -138.43 134.39 34.01 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 106.218 -1.771 . . . . 0.0 106.218 167.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.4 m -68.44 140.04 55.75 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 173.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -43.24 -51.28 6.23 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.163 1.385 . . . . 0.0 111.547 -177.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.8 tmtt? -48.49 -43.95 35.37 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.599 1.16 . . . . 0.0 111.834 177.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -66.29 -39.09 89.13 Favored 'General case' 0 N--CA 1.451 -0.424 0 O-C-N 121.845 -0.534 . . . . 0.0 109.88 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 34' ' ' LEU . 18.5 tp -66.03 -37.49 86.0 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 119.712 -0.795 . . . . 0.0 110.238 177.652 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -59.53 -37.63 78.88 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 118.068 0.394 . . . . 0.0 111.925 171.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -68.37 -44.39 75.3 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 123.167 1.46 . . . . 0.0 110.702 176.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 tt -62.45 -66.55 0.52 Allowed 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 125.379 1.472 . . . . 0.0 109.822 -177.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -35.9 -49.13 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 C-N-CA 125.462 1.505 . . . . 0.0 113.797 -169.224 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -51.22 -39.23 56.11 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 118.706 -0.664 . . . . 0.0 112.403 -169.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.23 -86.92 0.26 Allowed 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 121.476 0.655 . . . . 0.0 112.636 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.4 mp0 -50.76 -46.72 59.53 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 126.455 1.902 . . . . 0.0 114.743 -165.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.4 mt -77.16 -9.89 59.05 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -168.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.1 p -73.76 177.07 5.74 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 118.454 0.57 . . . . 0.0 110.633 -175.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 31.7 pt . . . . . 0 CA--C 1.54 0.563 0 CA-C-O 121.191 0.52 . . . . 0.0 110.955 169.792 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 66.8 tp . . . . . 0 C--O 1.234 0.26 0 CA-C-O 118.961 -0.542 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 66.9 mtt -90.36 -55.15 3.71 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 122.998 0.519 . . . . 0.0 111.876 -175.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.48 -19.39 56.57 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 126.211 1.804 . . . . 0.0 115.379 -168.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -57.94 -7.19 0.69 Allowed 'General case' 0 CA--C 1.556 1.183 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.541 165.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 pp -36.69 -15.88 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 131.088 3.755 . . . . 0.0 117.413 177.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.41 -17.42 0.76 Allowed 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 119.036 0.835 . . . . 0.0 109.32 163.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -39.61 -46.09 1.74 Allowed 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.899 -0.5 . . . . 0.0 111.699 165.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -63.36 -75.79 0.07 Allowed 'General case' 0 C--N 1.338 0.08 0 N-CA-C 115.097 1.517 . . . . 0.0 115.097 -167.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -63.97 130.12 42.8 Favored 'General case' 0 N--CA 1.436 -1.131 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 -164.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 19.02 43.86 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.389 1 C-N-CA 134.104 4.961 . . . . 0.0 116.035 167.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 59.13 -121.76 1.15 Allowed 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.37 1.068 . . . . 0.0 110.575 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -59.66 157.83 11.16 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 119.277 0.944 . . . . 0.0 111.205 -173.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.0 m -122.95 129.14 75.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 113.094 0.775 . . . . 0.0 113.094 -164.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -105.06 -164.66 1.06 Allowed 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 169.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -57.64 -40.52 79.45 Favored 'General case' 0 C--N 1.339 0.143 0 CA-C-N 119.053 0.842 . . . . 0.0 110.738 -178.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.76 -61.78 2.04 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 176.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.4 mp0 -56.72 -48.5 77.6 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-O 118.898 -0.572 . . . . 0.0 111.129 -179.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -50.57 -57.48 8.06 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.489 0.715 . . . . 0.0 111.051 178.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 7.6 mm -62.28 -47.1 94.64 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.136 0 CA-C-O 121.066 0.46 . . . . 0.0 110.386 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.41 ' HA ' ' CG2' ' B' ' 74' ' ' ILE . 31.0 m -54.21 -47.5 72.06 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.656 1.182 . . . . 0.0 110.923 -176.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -56.05 -60.65 3.19 Favored 'General case' 0 N--CA 1.436 -1.174 0 C-N-CA 125.039 1.336 . . . . 0.0 110.038 169.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -38.84 -60.88 0.79 Allowed 'General case' 0 C--N 1.343 0.289 0 C-N-CA 124.217 1.007 . . . . 0.0 111.95 176.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.19 -53.88 32.16 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 174.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.7 -36.68 57.69 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 118.338 1.069 . . . . 0.0 112.868 -179.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 40.9 mt -51.68 -30.39 21.76 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.805 0.73 . . . . 0.0 111.748 175.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -49.32 -44.83 44.72 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.375 0.67 . . . . 0.0 111.157 173.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 72.3 mtm -62.12 -17.61 58.28 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.245 0.618 . . . . 0.0 112.289 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 20.9 mm -93.66 -70.77 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 C-N-CA 124.033 0.933 . . . . 0.0 109.369 169.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -77.52 -41.04 40.67 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 113.866 1.062 . . . . 0.0 113.866 -168.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -92.53 21.08 5.65 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.579 0.751 . . . . 0.0 111.544 -176.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 . . . . . 0 N--CA 1.444 -0.726 0 CA-C-O 122.277 1.036 . . . . 0.0 112.095 -168.547 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.145 0 CA-C-O 120.693 0.282 . . . . 0.0 110.773 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 58.5 mt -45.97 -43.58 4.74 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 C-N-CA 125.204 1.402 . . . . 0.0 110.049 174.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -40.41 -49.26 3.81 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 124.991 1.281 . . . . 0.0 112.878 172.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 63.3 tp -62.45 -47.49 83.8 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.128 0.964 . . . . 0.0 110.178 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.68 -40.28 94.41 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 119.281 -0.39 . . . . 0.0 110.632 -178.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 71.3 mt -61.28 -51.28 74.89 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.141 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 172.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -45.27 -55.26 6.78 Favored Glycine 0 C--N 1.336 0.55 0 N-CA-C 110.019 -1.232 . . . . 0.0 110.019 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 94.9 mt -60.68 -61.25 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 CA-C-O 119.179 -0.439 . . . . 0.0 110.077 177.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -38.53 -62.77 0.56 Allowed 'General case' 0 C--N 1.344 0.349 0 C-N-CA 125.148 1.379 . . . . 0.0 111.072 179.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . 0.294 0.9 OUTLIER -90.72 16.78 8.58 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -175.195 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 tmtm? -74.66 -50.32 18.11 Favored 'General case' 0 C--N 1.338 0.094 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 166.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -83.21 44.85 0.98 Allowed 'General case' 0 CA--C 1.518 -0.268 0 C-N-CA 124.219 1.008 . . . . 0.0 111.255 -176.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 19.4 m -79.38 51.73 1.26 Allowed 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.455 0.702 . . . . 0.0 110.393 177.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 0.461 0 N-CA-C 107.705 -2.158 . . . . 0.0 107.705 -178.374 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? . . . . . 0 CA--C 1.535 0.385 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -76.06 -22.77 55.28 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -167.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 22.0 p -105.33 163.92 12.24 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.414 1.086 . . . . 0.0 109.968 172.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 85.5 mt -117.27 129.48 55.94 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.805 1.642 . . . . 0.0 109.242 176.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 90.6 p -86.7 153.51 21.68 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 125.12 1.368 . . . . 0.0 108.529 170.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.5 mttp -54.48 -31.92 56.8 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 115.101 1.519 . . . . 0.0 115.101 -169.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 2.2 tmtm? -56.48 -38.15 71.32 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 119.477 1.035 . . . . 0.0 111.672 173.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -68.07 -47.5 68.12 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 178.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.41 -45.22 72.92 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-O 118.552 -0.737 . . . . 0.0 112.447 176.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 9.4 mmpt? -53.86 -31.27 49.02 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 119.119 0.872 . . . . 0.0 111.719 177.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -75.98 -54.96 6.09 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-O 121.944 0.878 . . . . 0.0 110.36 174.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.07 -47.06 75.37 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 125.765 1.626 . . . . 0.0 111.838 -173.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 10.1 pt -67.03 -24.6 32.55 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-N 118.203 0.456 . . . . 0.0 112.165 177.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -61.79 -44.47 96.81 Favored 'General case' 0 N--CA 1.448 -0.528 0 O-C-N 121.99 -0.444 . . . . 0.0 110.077 -169.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -90.83 -102.96 0.1 Allowed 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 -173.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.95 -34.98 12.17 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 120.381 3.474 . . . . 0.0 120.381 -161.187 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -41.15 -50.19 3.51 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 -165.186 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 56.3 p -25.85 -83.56 0.0 OUTLIER 'General case' 0 C--O 1.231 0.102 0 C-N-CA 128.057 2.543 . . . . 0.0 112.417 -169.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mt -106.34 39.46 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 126.276 1.831 . . . . 0.0 107.984 -179.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.341 0.834 0 C-N-CA 127.834 2.635 . . . . 0.0 113.885 -170.047 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 21.1 t70 . . . . . 0 N--CA 1.468 0.428 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -66.49 9.2 0.18 Allowed 'General case' 0 CA--C 1.552 1.054 0 O-C-N 121.525 -0.734 . . . . 0.0 110.628 165.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.6 mt -53.72 -7.75 0.13 Allowed 'General case' 0 C--N 1.348 0.517 0 C-N-CA 127.178 2.191 . . . . 0.0 111.338 165.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -41.68 -28.59 0.15 Allowed 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.887 1.275 . . . . 0.0 109.603 160.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -51.67 -13.52 0.26 Allowed 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.946 1.461 . . . . 0.0 114.946 172.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -25.6 -80.44 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 130.241 3.416 . . . . 0.0 114.792 -169.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 10.4 pttp 178.92 -42.11 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 123.807 0.843 . . . . 0.0 110.847 178.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -71.64 3.2 4.22 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -168.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . 0.263 0.1 OUTLIER 75.74 -103.85 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.44 1.496 . . . . 0.0 112.698 168.411 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -73.72 146.36 44.46 Favored 'General case' 0 C--O 1.231 0.112 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 -176.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 93.7 t -107.76 125.73 64.2 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 CA-C-O 121.606 0.717 . . . . 0.0 112.623 -168.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -101.92 175.55 5.51 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 105.502 -2.036 . . . . 0.0 105.502 165.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -53.73 -45.55 70.56 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 119.189 0.904 . . . . 0.0 111.164 -176.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -53.86 -39.12 65.4 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.077 0.551 . . . . 0.0 110.701 178.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.51 -29.99 37.25 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 119.401 1.001 . . . . 0.0 111.776 -179.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -60.91 -46.32 91.12 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 169.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . 0.41 ' CG2' ' HA ' ' A' ' 75' ' ' THR . 24.4 mm -67.46 -37.72 79.39 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 CA-C-O 117.767 -1.111 . . . . 0.0 110.677 177.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 2.9 m -38.74 -52.57 1.69 Allowed 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 120.208 1.367 . . . . 0.0 112.018 -179.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -77.49 -49.45 14.73 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 119.535 -0.866 . . . . 0.0 112.283 178.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.25 -37.84 75.73 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 118.933 0.788 . . . . 0.0 111.064 -173.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.94 -45.81 79.4 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 124.697 1.141 . . . . 0.0 112.914 169.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.98 -50.39 73.59 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 118.299 1.05 . . . . 0.0 109.353 175.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -52.66 -42.13 64.44 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.187 174.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.96 -46.92 87.16 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 118.814 0.734 . . . . 0.0 110.273 178.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 8.8 ttt -50.92 -45.71 60.52 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 173.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 96.5 mt -67.5 -63.16 0.98 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 122.921 0.489 . . . . 0.0 111.434 -179.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -68.69 -34.97 76.58 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 120.951 -1.093 . . . . 0.0 112.036 -171.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -91.3 25.52 2.53 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.692 1.197 . . . . 0.0 112.07 -175.083 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.541 0.599 0 N-CA-C 116.699 2.111 . . . . 0.0 116.699 -168.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 45.7 mt . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -44.77 -47.57 9.2 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 124.936 1.255 . . . . 0.0 111.715 172.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -66.2 -51.92 53.01 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.113 0.956 . . . . 0.0 109.841 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.8 mp -52.98 -47.76 67.94 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 118.225 0.466 . . . . 0.0 111.386 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 90.8 mt -65.2 -44.33 95.26 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.135 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 175.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -50.58 -53.6 24.48 Favored Glycine 0 C--O 1.223 -0.593 0 C-N-CA 125.307 1.432 . . . . 0.0 111.179 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 33.9 mm -58.26 -60.98 1.56 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 CA-C-N 117.918 0.859 . . . . 0.0 109.893 178.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -38.79 -59.3 0.97 Allowed 'General case' 0 C--N 1.341 0.212 0 C-N-CA 124.94 1.296 . . . . 0.0 111.401 176.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . 0.331 0.1 OUTLIER -90.07 -12.64 37.83 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 -170.626 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 43.8 tttm -62.06 -45.1 95.05 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 166.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.505 ' HB2' HD13 ' A' ' 29' ' ' LEU . 11.0 m-30 -78.51 52.35 1.16 Allowed 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 122.583 1.182 . . . . 0.0 110.537 -176.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 83.0 p . . . . . 0 N--CA 1.445 -0.716 0 CA-C-O 122.357 1.075 . . . . 0.0 109.49 176.441 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? . . . . . 0 CA--C 1.539 0.532 0 CA-C-O 121.837 0.827 . . . . 0.0 112.013 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -145.81 -62.41 0.33 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 128.794 2.838 . . . . 0.0 105.537 174.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.57 160.73 19.6 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 127.149 2.18 . . . . 0.0 111.008 -172.452 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.505 HD13 ' HB2' ' A' ' 19' ' ' TYR . 3.0 tp -94.54 125.42 39.17 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 124.955 1.302 . . . . 0.0 107.786 -176.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.6 m -65.73 131.29 45.97 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.8 pttm -54.97 -32.13 61.31 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.491 -0.755 . . . . 0.0 112.268 176.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.23 -59.2 2.85 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -177.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -55.89 -26.27 46.57 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.313 0.961 . . . . 0.0 112.885 173.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.6 tt -54.61 -34.25 61.73 Favored 'General case' 0 C--N 1.342 0.249 0 CA-C-N 120.238 1.381 . . . . 0.0 110.103 171.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.411 ' HA ' HG22 ' A' ' 38' ' ' ILE 0.287 5.1 mptt -67.98 -1.18 5.27 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 120.493 -1.38 . . . . 0.0 113.864 176.625 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -74.84 -47.34 30.96 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 163.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 tt -47.16 -52.48 15.44 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 126.845 2.058 . . . . 0.0 109.783 178.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.411 HG22 ' HA ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -60.41 -44.46 96.19 Favored 'Isoleucine or valine' 0 C--N 1.343 0.3 0 C-N-CA 120.33 -0.548 . . . . 0.0 111.202 -176.449 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.17 -60.99 2.89 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 -177.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.41 ' NZ ' ' OE2' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -92.99 -84.18 0.3 Allowed 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.974 1.102 . . . . 0.0 113.974 -173.143 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.41 ' OE2' ' NZ ' ' A' ' 40' ' ' LYS . 18.2 mp0 -44.11 -57.22 3.52 Favored 'General case' 0 C--O 1.231 0.101 0 N-CA-C 115.877 1.806 . . . . 0.0 115.877 -164.396 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . 0.305 0.2 OUTLIER -68.45 -2.25 8.25 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 118.378 -1.329 . . . . 0.0 113.332 -171.79 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.0 m 60.69 -114.77 0.63 Allowed 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.095 -1.003 . . . . 0.0 110.283 168.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.6 mt . . . . . 0 CA--C 1.534 0.331 0 C-N-CA 124.042 0.937 . . . . 0.0 111.39 178.042 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 CA--C 1.535 0.371 0 N-CA-C 110.27 -0.271 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 27.2 ttt -57.48 -52.35 65.75 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 122.131 -0.356 . . . . 0.0 110.628 175.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -61.25 -33.83 74.16 Favored 'General case' 0 CA--C 1.522 -0.127 0 O-C-N 121.413 -0.804 . . . . 0.0 111.85 178.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -67.75 15.99 0.04 OUTLIER 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 170.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.4 mt -55.44 -27.6 49.09 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 120.304 1.411 . . . . 0.0 108.409 163.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.71 -38.83 10.48 Favored 'General case' 0 C--N 1.346 0.448 0 CA-C-O 121.857 0.837 . . . . 0.0 111.138 169.151 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.77 -11.18 60.05 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 113.383 0.883 . . . . 0.0 113.383 -176.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -55.36 -38.71 69.14 Favored 'General case' 0 CA--C 1.521 -0.15 0 C-N-CA 123.906 0.882 . . . . 0.0 113.363 -174.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -152.5 162.05 41.74 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 107.192 -1.411 . . . . 0.0 107.192 170.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 75.55 -35.49 0.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 127.081 2.152 . . . . 0.0 112.788 169.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 74.24 -73.0 0.1 Allowed 'General case' 0 N--CA 1.457 -0.088 0 C-N-CA 125.751 1.62 . . . . 0.0 109.424 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -80.9 78.89 7.66 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 105.052 -2.203 . . . . 0.0 105.052 169.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 13.0 m -52.72 147.93 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 N-CA-C 115.874 1.805 . . . . 0.0 115.874 -166.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.2 p30 -81.9 174.93 10.83 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.494 1.118 . . . . 0.0 110.051 169.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -61.74 -37.06 82.84 Favored 'General case' 0 C--O 1.225 -0.22 0 C-N-CA 123.56 0.744 . . . . 0.0 112.452 -176.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -64.44 -51.06 65.03 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 118.899 0.772 . . . . 0.0 109.951 176.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.25 -49.55 73.85 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.476 0.58 . . . . 0.0 110.173 178.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -47.16 -58.26 4.25 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.608 0.763 . . . . 0.0 110.73 171.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.3 mm -57.74 -43.76 84.52 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 C-N-CA 123.967 0.907 . . . . 0.0 111.478 -176.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -54.08 -52.34 61.27 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 115.366 1.617 . . . . 0.0 115.366 -167.357 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . 0.274 24.2 p90 -65.39 -43.05 91.88 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 117.526 -1.669 . . . . 0.0 111.222 -178.6 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 44.5 mt -50.9 -48.69 60.43 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.299 0.64 . . . . 0.0 110.347 176.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -60.11 -59.07 11.06 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 176.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.7 -54.24 10.05 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 124.407 1.083 . . . . 0.0 110.777 -178.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 39.0 mt -56.98 -23.44 45.9 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.502 1.121 . . . . 0.0 112.164 -178.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.21 -42.57 69.93 Favored 'General case' 0 C--N 1.339 0.139 0 CA-C-N 119.842 1.201 . . . . 0.0 111.249 173.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 67.0 mtm -59.97 -21.04 60.71 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 119.034 -0.508 . . . . 0.0 111.256 178.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 32.2 mm -91.74 -73.7 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 C-N-CA 124.201 1.0 . . . . 0.0 110.549 172.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . 0.256 0.1 OUTLIER -71.31 -21.81 62.02 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 114.509 1.299 . . . . 0.0 114.509 -168.066 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -91.18 22.59 3.71 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 119.286 0.948 . . . . 0.0 111.434 -176.267 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 . . . . . 0 N--CA 1.445 -0.676 0 CA-C-O 122.946 1.355 . . . . 0.0 112.942 -169.849 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.228 0 N-CA-C 111.288 0.107 . . . . 0.0 111.288 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 59.2 mt -53.33 -51.56 39.53 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 177.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.09 -50.88 43.77 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 123.913 0.768 . . . . 0.0 111.324 175.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 7.8 tt -54.59 -55.62 27.47 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.623 0.769 . . . . 0.0 109.445 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 8.9 mp -54.13 -49.74 68.5 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 118.279 0.491 . . . . 0.0 110.642 177.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 48.1 mt -64.53 -31.07 52.09 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 123.354 0.661 . . . . 0.0 112.256 -175.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -84.47 -51.0 4.04 Favored Glycine 0 CA--C 1.532 1.105 0 C-N-CA 124.171 0.891 . . . . 0.0 111.78 179.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 7.5 tt -58.67 -32.79 47.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 O-C-N 122.047 -0.678 . . . . 0.0 109.938 -177.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -35.79 -43.85 0.32 Allowed 'General case' 0 C--N 1.343 0.319 0 C-N-CA 126.109 1.764 . . . . 0.0 113.772 168.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -94.31 -46.26 7.13 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 120.792 0.329 . . . . 0.0 111.505 -178.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 8.8 mmtm -48.3 -33.55 9.03 Favored 'General case' 0 N--CA 1.462 0.127 0 N-CA-C 117.408 2.374 . . . . 0.0 117.408 -167.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . 0.269 14.1 m-30 -55.87 143.72 30.57 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.215 0.916 . . . . 0.0 112.975 -168.169 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 16.9 m 71.49 -28.54 0.18 Allowed 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 127.736 2.415 . . . . 0.0 113.081 -166.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.914 0 CA-C-N 119.791 1.178 . . . . 0.0 111.937 179.645 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 48.9 mttp . . . . . 0 CA--C 1.534 0.332 0 CA-C-O 120.328 0.108 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 35.0 p80 -120.76 -158.38 0.75 Allowed 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.67 0.788 . . . . 0.0 110.926 -169.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 15.1 p -44.7 140.74 2.34 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 126.412 1.885 . . . . 0.0 111.239 171.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 52.0 mt -70.47 124.52 24.4 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.07 60.79 4.37 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 124.199 1.0 . . . . 0.0 109.914 -175.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp 68.71 -76.93 0.05 Allowed 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 124.57 1.148 . . . . 0.0 112.898 172.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -55.06 -45.63 75.32 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 119.484 1.038 . . . . 0.0 110.729 -170.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -44.82 -39.34 5.22 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.789 0.836 . . . . 0.0 112.797 172.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.58 -36.41 69.33 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 119.091 0.86 . . . . 0.0 110.775 -178.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 27.8 mmtt -62.91 -24.58 67.91 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 120.988 -1.07 . . . . 0.0 113.133 -177.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -60.15 -49.69 76.65 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-O 122.187 0.994 . . . . 0.0 109.023 172.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 tt -54.04 -54.03 44.92 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 114.726 -1.124 . . . . 0.0 109.144 177.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . 0.282 0.8 OUTLIER -63.98 -43.13 97.57 Favored 'Isoleucine or valine' 0 C--N 1.341 0.219 0 C-N-CA 119.037 -1.065 . . . . 0.0 111.815 -173.579 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -67.85 -45.87 73.39 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 118.764 -1.175 . . . . 0.0 111.12 -177.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -94.26 -90.18 0.21 Allowed 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 16.2 mp0 -47.92 -29.27 3.21 Favored 'General case' 0 N--CA 1.462 0.141 0 N-CA-C 116.701 2.111 . . . . 0.0 116.701 -165.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 70.2 mt -54.49 -22.44 12.86 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 119.844 1.202 . . . . 0.0 113.023 174.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 31.1 m 77.76 -58.49 0.47 Allowed 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 125.063 1.345 . . . . 0.0 112.34 169.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 pp 27.99 59.43 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 128.02 2.528 . . . . 0.0 114.882 169.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 C-N-CA 125.259 1.409 . . . . 0.0 111.015 -178.52 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 . . . . . 0 N--CA 1.458 -0.062 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -62.28 -7.68 4.65 Favored 'General case' 0 CA--C 1.539 0.519 0 O-C-N 121.15 -0.969 . . . . 0.0 111.073 168.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 18.9 mt -41.45 -11.06 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 128.172 2.589 . . . . 0.0 114.798 168.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -49.43 -21.0 0.8 Allowed 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.198 -0.939 . . . . 0.0 111.144 163.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -39.97 -37.97 0.65 Allowed 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.665 1.186 . . . . 0.0 111.642 166.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -48.2 -30.2 4.45 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -177.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.58 43.91 2.11 Favored 'General case' 0 CA--C 1.53 0.173 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 169.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 19.3 t70 19.36 56.4 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 128.196 2.598 . . . . 0.0 113.614 -169.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . 0.282 10.2 pt20 49.5 10.61 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 117.395 2.368 . . . . 0.0 117.395 -179.367 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -83.38 62.76 6.91 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 106.063 -1.828 . . . . 0.0 106.063 169.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -74.13 135.21 27.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 116.183 1.92 . . . . 0.0 116.183 -163.308 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -99.88 155.15 17.83 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 125.548 1.539 . . . . 0.0 107.049 165.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -52.76 -43.61 65.91 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 118.31 0.505 . . . . 0.0 110.769 -178.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -40.88 -56.54 2.2 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.434 1.094 . . . . 0.0 110.902 171.276 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -76.59 -45.78 28.91 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 125.38 1.472 . . . . 0.0 110.2 -168.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -47.21 -49.13 23.56 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.875 1.67 . . . . 0.0 108.755 170.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 21.1 mm -67.96 -45.4 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 CA-C-O 118.286 -0.864 . . . . 0.0 111.519 175.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 48.9 m -47.65 -51.33 21.92 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 119.97 1.259 . . . . 0.0 108.734 177.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -59.45 -58.98 6.22 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 126.251 1.821 . . . . 0.0 111.521 178.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 14.7 mt -49.99 -46.82 52.97 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.455 0.571 . . . . 0.0 111.505 177.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -62.84 -46.39 93.71 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 125.742 1.639 . . . . 0.0 112.279 178.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.96 -54.53 45.58 Favored 'General case' 0 C--N 1.338 0.104 0 CA-C-N 117.989 0.895 . . . . 0.0 108.873 176.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.15 -30.44 71.59 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.384 -178.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.86 -41.72 71.14 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-N 119.498 1.044 . . . . 0.0 112.102 175.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 59.8 mtm -61.83 -16.62 51.61 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 118.753 -0.641 . . . . 0.0 112.213 176.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 25.1 mt -91.27 -71.79 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 124.947 1.299 . . . . 0.0 109.14 169.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -63.45 -39.11 93.61 Favored 'General case' 0 N--CA 1.464 0.252 0 O-C-N 120.513 -1.367 . . . . 0.0 112.264 -170.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -93.68 24.5 4.05 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.991 1.316 . . . . 0.0 111.934 173.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.517 0 N-CA-C 116.746 2.128 . . . . 0.0 116.746 -169.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.8 mt . . . . . 0 C--O 1.236 0.384 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -44.86 -43.87 8.47 Favored Glycine 0 C--N 1.337 0.624 0 C-N-CA 126.568 2.032 . . . . 0.0 111.89 -179.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.9 tp -82.1 -65.66 0.98 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 117.988 0.894 . . . . 0.0 110.941 173.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 68.4 mt -63.66 -51.7 63.95 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 -165.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.3 mt -77.05 -30.95 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 CA-C-N 119.751 1.16 . . . . 0.0 109.596 174.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.63 -81.96 0.06 OUTLIER Glycine 0 CA--C 1.528 0.88 0 CA-C-O 118.585 -1.12 . . . . 0.0 111.636 173.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.2 mp -38.69 -57.6 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 126.38 1.872 . . . . 0.0 110.565 -177.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -31.14 -58.17 0.23 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.983 1.713 . . . . 0.0 113.438 170.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -95.55 -4.82 44.02 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 116.952 2.204 . . . . 0.0 116.952 173.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 tmmm? -67.57 -53.77 25.5 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 106.221 -1.77 . . . . 0.0 106.221 172.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.407 ' O ' ' HB2' ' A' ' 20' ' ' SER . 47.5 m-85 -68.82 149.73 48.62 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 105.223 -2.14 . . . . 0.0 105.223 166.281 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.407 ' HB2' ' O ' ' A' ' 19' ' ' TYR . 60.6 m . . . . . 0 CA--C 1.528 0.101 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 -165.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 20.4 p80 -137.81 -175.31 4.04 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 124.017 0.927 . . . . 0.0 109.222 175.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.9 p -66.96 151.88 46.8 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 127.268 2.227 . . . . 0.0 108.599 175.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 72.1 mt -70.37 106.46 3.39 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.044 0.938 . . . . 0.0 109.996 -170.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.9 p -76.67 63.48 2.13 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.896 0.878 . . . . 0.0 112.578 -178.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.309 0.0 OUTLIER 61.12 -66.97 0.06 Allowed 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 128.286 2.634 . . . . 0.0 115.808 173.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.9 pttp -51.59 -42.98 62.31 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.634 0.774 . . . . 0.0 110.132 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -40.94 -56.78 2.16 Favored 'General case' 0 C--O 1.222 -0.387 0 C-N-CA 123.752 0.821 . . . . 0.0 111.368 170.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.424 HD11 ' CZ ' ' A' ' 76' ' ' PHE . 1.3 tm? -61.11 -46.6 89.94 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 -170.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -62.98 -36.89 85.03 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 121.018 0.437 . . . . 0.0 110.614 179.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -68.24 -34.7 76.69 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.255 1.022 . . . . 0.0 111.38 176.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 tt -73.87 -61.08 1.97 Allowed 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 127.259 2.224 . . . . 0.0 110.453 -174.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.4 tt -46.29 -34.74 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 C-N-CA 125.579 1.551 . . . . 0.0 113.116 -169.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -58.46 -56.13 26.12 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 122.904 0.482 . . . . 0.0 111.804 176.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . 0.315 12.6 pttm -97.63 -83.14 0.4 Allowed 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 118.537 2.792 . . . . 0.0 118.537 -168.586 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . 0.252 22.1 mt-10 -57.8 -39.2 76.98 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 116.46 2.022 . . . . 0.0 116.46 -163.486 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . 0.261 0.4 OUTLIER -75.22 24.27 0.1 Allowed 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 115.376 1.621 . . . . 0.0 115.376 -175.598 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.9 m 81.68 -82.88 0.02 OUTLIER 'General case' 0 C--O 1.227 -0.109 0 C-N-CA 125.377 1.471 . . . . 0.0 110.337 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.289 11.3 tp . . . . . 0 N--CA 1.472 0.655 0 C-N-CA 130.703 3.601 . . . . 0.0 116.295 -178.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.9 mp . . . . . 0 CA--C 1.54 0.56 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 73.2 mtp -91.09 -49.49 6.37 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 168.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.514 ' C ' ' H ' ' A' ' 60' ' ' LEU . 87.5 m-20 -73.18 -6.61 46.93 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 114.922 1.452 . . . . 0.0 114.922 -172.248 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . 0.254 4.3 p-10 -70.2 32.52 0.04 OUTLIER 'General case' 0 CA--C 1.557 1.228 0 CA-C-N 119.925 1.239 . . . . 0.0 109.861 163.501 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.514 ' H ' ' C ' ' A' ' 58' ' ' ASP . 4.0 pp -57.11 -6.72 0.41 Allowed 'General case' 0 C--N 1.347 0.474 0 C-N-CA 130.739 3.616 . . . . 0.0 113.794 -170.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -47.48 -27.86 1.93 Allowed 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 163.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.6 ttm-85 -30.35 -44.85 0.06 Allowed 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 126.485 1.914 . . . . 0.0 112.555 167.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -43.75 -48.5 8.04 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 126.134 1.773 . . . . 0.0 113.898 -177.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -125.43 83.43 2.16 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 117.928 -1.034 . . . . 0.0 109.23 -175.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.1 p30 57.66 -15.57 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 117.665 2.468 . . . . 0.0 117.665 168.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . 0.25 25.3 mt-30 77.7 -9.2 1.55 Allowed 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 127.47 2.308 . . . . 0.0 113.228 178.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.13 82.63 5.28 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 104.347 -2.464 . . . . 0.0 104.347 166.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.7 m -94.92 138.71 20.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-O 121.366 0.603 . . . . 0.0 111.972 -171.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -98.85 -175.91 3.19 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 124.043 0.937 . . . . 0.0 108.841 176.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -52.36 -38.13 58.01 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 119.03 -0.51 . . . . 0.0 110.486 -179.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -55.2 -65.55 0.57 Allowed 'General case' 0 C--O 1.234 0.256 0 CA-C-N 118.764 0.711 . . . . 0.0 111.647 178.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -66.28 -39.98 89.78 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 118.233 -1.387 . . . . 0.0 109.0 -171.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -46.25 -60.94 2.01 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.083 0.953 . . . . 0.0 111.465 172.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 8.2 tp -71.51 -35.18 55.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 O-C-N 121.666 -0.647 . . . . 0.0 110.466 -172.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 31.0 m -60.78 -45.14 95.51 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 176.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.424 ' CZ ' HD11 ' A' ' 34' ' ' LEU . 3.1 t80 -59.46 -55.26 36.88 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 125.138 1.375 . . . . 0.0 110.579 174.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 33.0 mt -49.88 -55.57 13.86 Favored 'General case' 0 C--O 1.225 -0.205 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 177.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.09 -53.36 43.1 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.762 -0.535 . . . . 0.0 111.762 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.03 -56.24 24.56 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -175.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 86.9 mt -63.86 -43.97 94.51 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 119.54 -0.267 . . . . 0.0 110.51 -177.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.53 -43.15 75.48 Favored 'General case' 0 CA--C 1.523 -0.096 0 CA-C-N 118.378 0.535 . . . . 0.0 110.957 178.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 3.3 ttt -55.73 -27.61 51.5 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 177.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.2 mp -83.86 -72.52 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 168.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -56.89 -44.15 82.03 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 114.849 1.425 . . . . 0.0 114.849 -167.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . 0.27 40.6 m-20 -77.23 31.79 0.15 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.028 1.331 . . . . 0.0 112.565 177.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 . . . . . 0 C--N 1.344 0.367 0 C-N-CA 130.254 3.422 . . . . 0.0 115.978 -170.458 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.57 0 N-CA-C 111.52 0.193 . . . . 0.0 111.52 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 26.2 mt -66.77 -43.78 89.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 169.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -38.72 -45.63 2.06 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 125.414 1.483 . . . . 0.0 112.868 172.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 33.6 tp -52.98 -37.25 61.17 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.954 1.377 . . . . 0.0 112.354 178.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.1 mp -64.84 -30.96 71.98 Favored 'General case' 0 CA--C 1.532 0.275 0 O-C-N 121.268 -0.895 . . . . 0.0 110.735 176.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 16.0 mt -67.08 -48.05 80.17 Favored 'Isoleucine or valine' 0 C--N 1.341 0.207 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 168.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -45.5 -50.02 10.89 Favored Glycine 0 CA--C 1.525 0.698 0 C-N-CA 124.659 1.123 . . . . 0.0 111.21 176.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 39.0 mm -68.16 -60.48 2.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 123.55 0.74 . . . . 0.0 110.175 176.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -39.13 -64.54 0.45 Allowed 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 125.261 1.424 . . . . 0.0 110.81 178.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . 0.34 1.6 m-70 -90.6 21.66 3.89 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 116.248 1.944 . . . . 0.0 116.248 178.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -59.13 -46.03 89.4 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 105.484 -2.043 . . . . 0.0 105.484 165.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -79.9 124.92 29.09 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 126.874 2.07 . . . . 0.0 108.837 169.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.5 p -47.92 -49.45 30.04 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 168.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.067 0 C-N-CA 124.494 1.045 . . . . 0.0 113.472 -175.531 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 19.6 mttp . . . . . 0 CA--C 1.534 0.338 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -144.25 -68.21 0.32 Allowed 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 118.949 0.795 . . . . 0.0 111.203 -178.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.24 -177.46 6.65 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 127.884 2.474 . . . . 0.0 109.51 -177.23 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 10.0 tp -127.18 153.42 46.09 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.673 1.189 . . . . 0.0 109.244 -172.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 99.0 p -83.97 147.87 27.21 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.228 0.611 . . . . 0.0 109.448 177.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.78 -45.66 93.52 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 107.035 -1.469 . . . . 0.0 107.035 169.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.07 -54.16 39.57 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 117.93 -1.034 . . . . 0.0 111.307 -174.016 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -75.31 -28.92 59.87 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 119.606 1.094 . . . . 0.0 110.965 -177.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.428 HD23 ' O ' ' B' ' 34' ' ' LEU . 4.5 tt -58.59 -38.3 77.64 Favored 'General case' 0 C--N 1.341 0.236 0 C-N-CA 119.918 -0.713 . . . . 0.0 109.264 171.395 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.58 -49.35 62.28 Favored 'General case' 0 C--N 1.345 0.386 0 CA-C-N 119.485 1.038 . . . . 0.0 111.207 -176.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 25.8 mp0 -54.15 -51.94 62.7 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 119.783 1.174 . . . . 0.0 111.96 173.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 tt -47.38 -58.65 3.92 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.178 1.391 . . . . 0.0 110.311 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -68.4 -48.49 72.58 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.242 0 O-C-N 122.039 -0.413 . . . . 0.0 110.729 -179.287 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -46.2 -58.21 3.86 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.45 1.1 . . . . 0.0 111.181 -177.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 6.4 tptp -97.34 -42.62 7.68 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 -172.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -91.92 -71.22 0.65 Allowed 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 -164.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . 0.275 1.0 OUTLIER -79.42 3.17 19.26 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 -167.184 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.2 p -76.46 -107.48 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.901 1.228 . . . . 0.0 111.018 174.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 15.1 mt -94.51 -32.53 4.66 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 C-N-CA 123.868 0.867 . . . . 0.0 108.758 -177.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.732 0 N-CA-C 108.998 -1.641 . . . . 0.0 108.998 -179.113 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 . . . . . 0 CA--C 1.528 0.131 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -49.65 -15.67 0.18 Allowed 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 119.027 0.831 . . . . 0.0 112.977 169.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 7.6 tt -43.04 -22.62 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 128.679 2.792 . . . . 0.0 112.48 165.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -45.77 -28.52 1.07 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 119.796 1.18 . . . . 0.0 111.418 167.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.57 13.21 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 115.184 1.55 . . . . 0.0 115.184 171.088 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -28.46 -57.45 0.12 Allowed 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 128.302 2.641 . . . . 0.0 114.415 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 18.6 pttm -120.17 20.95 11.95 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.63 1.172 . . . . 0.0 110.326 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 7.5 t0 25.68 41.52 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 130.579 3.552 . . . . 0.0 113.268 -167.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -149.44 145.27 26.84 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 -179.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 28.59 81.67 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 127.049 2.14 . . . . 0.0 114.295 169.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 16.4 t -70.22 119.66 16.69 Favored 'Isoleucine or valine' 0 C--O 1.231 0.117 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 -178.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -92.24 169.57 10.5 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.305 0.574 . . . . 0.0 110.503 178.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -54.19 -43.84 71.05 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.809 0.844 . . . . 0.0 110.95 -178.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -59.1 -44.96 91.98 Favored 'General case' 0 N--CA 1.456 -0.158 0 O-C-N 121.953 -0.467 . . . . 0.0 110.511 179.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -61.39 -60.29 3.94 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 176.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -39.32 -52.97 2.0 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 125.39 1.476 . . . . 0.0 112.348 176.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 5.2 tp -75.12 -16.1 15.93 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -170.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 98.6 m -55.47 -56.19 23.02 Favored 'General case' 0 C--N 1.341 0.238 0 CA-C-N 118.82 0.736 . . . . 0.0 111.78 -170.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.83 -43.95 94.69 Favored 'General case' 0 CA--C 1.521 -0.146 0 O-C-N 122.046 -0.409 . . . . 0.0 110.118 -177.363 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -43.24 -55.96 3.72 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.16 0.584 . . . . 0.0 110.005 170.423 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.99 -53.72 38.34 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 124.18 0.895 . . . . 0.0 112.659 176.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.57 -49.03 77.71 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 118.006 0.903 . . . . 0.0 111.557 -177.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 52.2 mt -73.44 -26.67 61.04 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.335 1.054 . . . . 0.0 111.593 -176.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -31.1 -66.93 0.1 Allowed 'General case' 0 C--O 1.222 -0.38 0 C-N-CA 127.152 2.181 . . . . 0.0 113.664 -172.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 51.9 mtp -72.28 -13.62 61.55 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -170.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . 0.403 HD12 ' N ' ' B' ' 83' ' ' ILE . 3.5 mp -82.09 -65.61 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 106.829 -1.545 . . . . 0.0 106.829 172.264 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . 0.356 0.0 OUTLIER -79.41 32.95 0.24 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.363 1.465 . . . . 0.0 113.08 -177.242 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -41.59 -36.04 0.85 Allowed 'General case' 0 C--O 1.232 0.136 0 N-CA-C 116.884 2.179 . . . . 0.0 116.884 -167.05 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 119.444 1.02 . . . . 0.0 108.604 173.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.2 mt . . . . . 0 CA--C 1.534 0.348 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.59 -47.54 29.59 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 125.689 1.614 . . . . 0.0 112.211 173.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.11 -52.36 65.69 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 118.907 1.354 . . . . 0.0 110.403 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -57.64 -44.66 85.78 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 122.451 0.3 . . . . 0.0 111.135 -179.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 36.6 mt -63.17 -44.17 99.22 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 123.941 0.896 . . . . 0.0 110.236 175.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.16 -63.91 4.89 Favored Glycine 0 CA--C 1.525 0.71 0 C-N-CA 125.061 1.315 . . . . 0.0 110.684 -179.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.1 tp -61.08 -36.65 73.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 C-N-CA 123.309 0.643 . . . . 0.0 110.863 -169.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -30.69 -66.46 0.1 Allowed 'General case' 0 C--N 1.344 0.347 0 C-N-CA 126.338 1.855 . . . . 0.0 112.504 177.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -90.52 -6.22 55.03 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 -179.251 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.18 -43.23 78.6 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 106.66 -1.608 . . . . 0.0 106.66 169.091 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 -75.85 67.52 2.26 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.632 0.773 . . . . 0.0 109.924 174.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 75.2 m . . . . . 0 CA--C 1.532 0.274 0 C-N-CA 124.1 0.96 . . . . 0.0 109.494 169.109 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.534 0.333 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -52.05 160.75 0.69 Allowed 'General case' 0 N--CA 1.44 -0.97 0 C-N-CA 125.808 1.643 . . . . 0.0 109.302 174.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 73.7 p 63.58 151.69 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 127.132 2.173 . . . . 0.0 109.105 -168.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.3 mp -109.62 58.95 0.6 Allowed 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 -166.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.3 p -65.34 71.9 0.05 OUTLIER 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 115.348 1.61 . . . . 0.0 115.348 -177.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.251 12.9 tptt 66.38 -55.12 0.4 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 128.863 2.865 . . . . 0.0 115.769 173.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.58 -10.78 58.03 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.828 1.195 . . . . 0.0 112.29 179.54 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.0 mp0 -90.64 -51.5 5.36 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 128.065 2.546 . . . . 0.0 107.375 167.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tp -50.68 -34.45 26.64 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 118.545 -0.74 . . . . 0.0 111.854 -178.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.2 pptp? -38.92 -40.99 0.7 Allowed 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.235 1.014 . . . . 0.0 113.297 171.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -64.26 -34.33 77.86 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.404 1.082 . . . . 0.0 111.372 -177.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 tt -91.01 -53.93 4.17 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 127.52 2.328 . . . . 0.0 111.231 -175.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.1 tt -61.49 -44.64 98.92 Favored 'Isoleucine or valine' 0 CA--C 1.524 -0.039 0 C-N-CA 124.842 1.257 . . . . 0.0 112.294 -169.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -65.71 -47.81 74.12 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -92.48 -94.21 0.15 Allowed 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.087 0.955 . . . . 0.0 113.268 -170.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.2 mp0 -58.03 -32.19 67.74 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 -165.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.6 mt -53.63 -32.72 52.45 Favored 'General case' 0 C--O 1.224 -0.265 0 C-N-CA 118.589 -1.244 . . . . 0.0 111.856 175.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.0 m 63.25 41.87 7.5 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 119.977 1.262 . . . . 0.0 109.835 -179.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 32.4 pt . . . . . 0 CA--C 1.532 0.267 0 C-N-CA 123.47 0.708 . . . . 0.0 112.167 -175.597 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.4 tp . . . . . 0 CA--C 1.534 0.346 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.7 mmt -91.52 -43.46 9.66 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.447 1.099 . . . . 0.0 111.807 176.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.491 ' C ' ' H ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -71.05 -9.11 57.47 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 127.64 2.376 . . . . 0.0 113.446 -174.403 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -68.51 28.98 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.372 1.069 . . . . 0.0 108.578 160.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.491 ' H ' ' C ' ' A' ' 58' ' ' ASP . 48.5 tp -37.4 -30.04 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.577 1 C-N-CA 131.705 4.002 . . . . 0.0 114.651 -167.299 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -37.67 -34.93 0.12 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.98 0.912 . . . . 0.0 110.887 165.442 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -40.85 -35.25 0.48 Allowed 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 127.557 2.343 . . . . 0.0 112.926 176.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -62.82 -34.29 77.0 Favored 'General case' 0 C--N 1.339 0.151 0 C-N-CA 122.848 0.459 . . . . 0.0 111.298 -176.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.4 mmtm 67.53 -54.91 0.48 Allowed 'General case' 0 C--N 1.34 0.195 0 C-N-CA 126.74 2.016 . . . . 0.0 114.225 176.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 53.66 61.71 2.97 Favored 'General case' 0 CA--C 1.528 0.103 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 -169.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . 0.424 1.5 pp0? 66.23 -44.19 0.4 Allowed 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 129.243 3.017 . . . . 0.0 115.027 -169.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.64 134.35 4.5 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 106.518 -1.66 . . . . 0.0 106.518 177.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.37 98.23 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 CA-C-O 122.419 1.104 . . . . 0.0 108.241 -171.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -75.97 172.58 12.49 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 113.982 -1.463 . . . . 0.0 109.06 170.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -48.79 -39.16 24.2 Favored 'General case' 0 C--O 1.22 -0.476 0 C-N-CA 123.32 0.648 . . . . 0.0 109.997 173.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -42.61 -74.52 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.831 1.253 . . . . 0.0 111.307 169.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -59.02 -44.14 91.66 Favored 'General case' 0 N--CA 1.455 -0.18 0 O-C-N 121.563 -0.71 . . . . 0.0 110.761 -175.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -46.47 -53.88 10.31 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.238 1.415 . . . . 0.0 111.067 174.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 7.6 tp -76.86 -39.44 30.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 O-C-N 121.684 -0.635 . . . . 0.0 110.905 -174.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 57.1 m -51.79 -53.72 36.82 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 119.409 1.004 . . . . 0.0 109.827 171.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -52.9 -54.96 27.09 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 125.237 1.415 . . . . 0.0 111.302 175.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.3 mt -52.66 -40.43 62.83 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 117.839 0.29 . . . . 0.0 111.091 174.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -62.09 -53.97 38.5 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.431 -1.068 . . . . 0.0 110.431 178.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.13 -48.43 67.9 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 124.049 0.939 . . . . 0.0 110.121 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 42.0 mt -58.79 -60.0 4.53 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 175.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -48.43 -49.35 35.56 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 125.984 1.714 . . . . 0.0 111.426 -172.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 17.0 ttt -44.89 -39.9 5.81 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 126.501 1.921 . . . . 0.0 111.702 176.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 48.0 mm -91.44 -61.13 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 C-N-CA 123.913 0.885 . . . . 0.0 110.902 -177.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -90.2 -29.33 18.3 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 116.366 1.987 . . . . 0.0 116.366 -166.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.464 HD22 ' C ' ' A' ' 85' ' ' ASN . 0.1 OUTLIER -91.55 -53.44 4.31 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-N 118.743 0.701 . . . . 0.0 110.404 -168.744 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 . . . . . 0 N--CA 1.436 -1.149 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 -166.562 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.278 0 CA-C-O 120.609 0.242 . . . . 0.0 111.357 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 58.3 mt -63.64 -40.92 90.82 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 174.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -42.89 -42.74 5.09 Favored Glycine 0 CA--C 1.523 0.572 0 C-N-CA 126.467 1.984 . . . . 0.0 113.079 171.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 61.4 tp -58.42 -55.3 36.84 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 119.151 1.476 . . . . 0.0 110.075 177.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 mp -58.86 -46.6 87.37 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 122.982 0.513 . . . . 0.0 109.635 -179.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 67.6 mt -59.2 -39.99 80.02 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 C-N-CA 122.537 0.335 . . . . 0.0 110.703 176.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.71 -66.33 2.89 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 109.226 -1.549 . . . . 0.0 109.226 174.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 25.4 mm -49.75 -44.57 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 125.358 1.463 . . . . 0.0 110.636 -178.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -36.58 -73.06 0.05 OUTLIER 'General case' 0 C--N 1.341 0.208 0 C-N-CA 124.85 1.26 . . . . 0.0 112.138 -177.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -90.37 20.71 4.29 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.65 -1.159 . . . . 0.0 112.441 -178.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -58.55 -46.9 85.89 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 168.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -78.35 59.41 2.33 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.16 0.984 . . . . 0.0 110.641 173.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 28.2 m -67.6 -15.44 63.65 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.64 -0.662 . . . . 0.0 112.264 172.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.622 0 N-CA-C 108.999 -1.641 . . . . 0.0 108.999 173.951 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? . . . . . 0 N--CA 1.45 -0.434 0 N-CA-C 105.724 -1.954 . . . . 0.0 105.724 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -133.33 35.63 3.44 Favored 'General case' 0 C--N 1.332 -0.168 0 O-C-N 121.59 -0.694 . . . . 0.0 109.62 171.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 72.7 p -136.39 141.71 43.67 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 103.453 -2.795 . . . . 0.0 103.453 167.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 28.0 mt -101.05 86.53 3.06 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.073 0.949 . . . . 0.0 110.719 -167.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.4 m -79.46 64.59 4.39 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.761 0.824 . . . . 0.0 111.951 -168.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 50.6 tttp 65.76 -53.12 0.38 Allowed 'General case' 0 C--O 1.223 -0.34 0 C-N-CA 127.158 2.183 . . . . 0.0 114.289 178.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -55.95 -62.02 1.98 Allowed 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 120.106 1.321 . . . . 0.0 109.985 -179.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -38.62 -51.45 1.64 Allowed 'General case' 0 C--O 1.226 -0.16 0 C-N-CA 125.191 1.397 . . . . 0.0 110.455 169.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' B' ' 34' ' ' LEU . 5.8 tp -62.34 -44.46 96.43 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 125.252 1.421 . . . . 0.0 111.343 -173.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 39.3 tptt -65.66 -41.48 92.48 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 178.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.91 -38.45 91.13 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 120.764 0.316 . . . . 0.0 110.827 176.459 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.2 tt -61.34 -70.11 0.2 Allowed 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 126.277 1.831 . . . . 0.0 111.1 178.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . 0.511 ' HA ' ' HB3' ' B' ' 41' ' ' GLU . 11.3 tt -58.48 6.45 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.558 1.261 0 C-N-CA 127.567 2.347 . . . . 0.0 114.746 -168.226 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -93.73 -66.47 0.92 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.284 1.834 . . . . 0.0 112.312 172.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.48 32.94 1.02 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.687 1.995 . . . . 0.0 109.874 176.242 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.511 ' HB3' ' HA ' ' B' ' 38' ' ' ILE 0.302 0.0 OUTLIER -73.72 -115.09 0.01 OUTLIER 'General case' 0 N--CA 1.437 -1.116 0 N-CA-C 121.661 3.948 . . . . 0.0 121.661 -160.766 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.415 ' H ' ' CG ' ' B' ' 41' ' ' GLU . 11.3 mt -103.03 -61.44 1.41 Allowed 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 129.589 3.155 . . . . 0.0 111.71 -167.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 152.7 4.22 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.825 1 C-N-CA 132.196 4.198 . . . . 0.0 111.67 -171.47 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 65.8 mt -50.27 -36.26 12.91 Favored 'Isoleucine or valine' 0 C--N 1.342 0.262 0 CA-C-N 120.356 1.435 . . . . 0.0 110.968 178.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.51 0 C-N-CA 125.272 1.415 . . . . 0.0 114.588 169.925 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 N--CA 1.466 0.364 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . 0.254 3.4 p30 -45.42 -77.09 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.951 0.901 . . . . 0.0 112.457 -168.139 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.414 HD13 ' C ' ' B' ' 60' ' ' LEU . 3.2 tm? -93.09 -58.12 2.42 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 124.925 1.29 . . . . 0.0 110.264 -174.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.02 -30.92 2.91 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 126.457 1.903 . . . . 0.0 113.871 -164.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . 0.402 ' HG2' ' O ' ' B' ' 62' ' ' ARG 0.287 0.0 OUTLIER -75.05 16.71 0.28 Allowed 'General case' 0 CA--C 1.558 1.269 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 173.441 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -53.58 -58.91 5.47 Favored 'General case' 0 C--O 1.225 -0.203 0 C-N-CA 128.425 2.69 . . . . 0.0 114.718 -171.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . 0.28 12.2 pttt 70.41 -56.89 0.59 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.248 1.419 . . . . 0.0 113.834 -171.65 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . 0.301 2.7 p30 -90.54 -97.02 0.11 Allowed 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 -171.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.54 -157.68 0.84 Allowed 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 120.241 1.382 . . . . 0.0 110.654 -169.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.6 144.16 27.51 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 118.995 0.816 . . . . 0.0 110.617 -173.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 15.7 t -75.94 75.74 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-O 123.126 1.441 . . . . 0.0 111.078 -167.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -83.9 -177.35 6.65 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 126.744 2.018 . . . . 0.0 109.244 169.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -52.98 -43.94 66.81 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.093 0.557 . . . . 0.0 112.447 -172.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.6 -31.72 73.06 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 118.751 0.705 . . . . 0.0 111.315 -177.56 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.88 -46.33 21.66 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 -176.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -49.35 -53.1 24.01 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 168.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 11.6 mm -54.54 -44.88 70.35 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-O 118.624 -0.703 . . . . 0.0 111.111 176.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 62.0 m -45.72 -51.36 12.63 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 119.215 0.916 . . . . 0.0 112.444 -178.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . 0.256 6.2 p90 -64.8 -39.68 93.99 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 117.332 -1.747 . . . . 0.0 112.425 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 6.3 mp -55.12 -56.31 21.33 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 118.991 0.814 . . . . 0.0 109.641 172.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -49.16 -56.21 10.84 Favored Glycine 0 CA--C 1.526 0.751 0 C-N-CA 124.132 0.872 . . . . 0.0 112.059 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.34 -53.66 53.79 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 122.907 0.483 . . . . 0.0 111.394 -178.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 79.4 mt -76.09 -35.35 59.39 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.923 -0.485 . . . . 0.0 111.581 -169.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.91 -42.63 68.95 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 118.681 0.673 . . . . 0.0 111.442 -178.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 64.9 mtp -51.94 -29.92 22.41 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.56 1.144 . . . . 0.0 111.876 175.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 43.8 mt -91.0 -57.04 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 C-N-CA 123.585 0.754 . . . . 0.0 109.516 178.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -81.38 -39.85 24.39 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 115.024 1.49 . . . . 0.0 115.024 -167.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -86.38 -39.1 16.75 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -167.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.327 -0.37 0 N-CA-C 104.535 -2.394 . . . . 0.0 104.535 -170.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.7 mp . . . . . 0 CA--C 1.533 0.314 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.02 -51.28 30.51 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 172.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.3 mp -56.08 -56.87 15.56 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-O 118.962 -0.542 . . . . 0.0 109.561 175.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.4 mt -52.7 -47.25 67.39 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 119.366 0.984 . . . . 0.0 112.161 -176.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.9 mt -60.95 -51.22 75.72 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 123.732 0.813 . . . . 0.0 109.996 176.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.31 -41.31 96.81 Favored Glycine 0 CA--C 1.53 1.029 0 C-N-CA 123.288 0.47 . . . . 0.0 112.088 -178.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.5 mm -78.87 -42.81 24.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 C-N-CA 126.843 2.057 . . . . 0.0 110.615 -171.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -29.15 -69.12 0.06 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.223 1.809 . . . . 0.0 113.664 -173.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -90.67 -2.09 57.85 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 125.574 1.549 . . . . 0.0 112.655 -174.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.09 -36.09 74.53 Favored 'General case' 0 N--CA 1.456 -0.142 0 O-C-N 121.516 -0.74 . . . . 0.0 111.267 -172.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -66.44 -15.96 63.74 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.0 m . . . . . 0 CA--C 1.533 0.319 0 CA-C-N 118.747 0.703 . . . . 0.0 111.53 169.524 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm . . . . . 0 CA--C 1.531 0.217 0 CA-C-O 121.706 0.765 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.0 p80 -79.93 57.48 2.62 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.605 1.162 . . . . 0.0 108.817 174.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -177.84 147.17 0.46 Allowed 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 128.285 2.634 . . . . 0.0 104.037 -169.252 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.65 142.67 34.93 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 119.415 1.007 . . . . 0.0 110.375 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.2 t -92.9 -168.57 1.97 Allowed 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 122.745 1.259 . . . . 0.0 111.131 -177.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -51.32 68.18 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 127.128 2.171 . . . . 0.0 112.96 -171.295 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -64.78 -41.47 95.83 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.93 -0.481 . . . . 0.0 110.208 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -56.21 -51.9 66.38 Favored 'General case' 0 C--O 1.223 -0.337 0 C-N-CA 122.85 0.46 . . . . 0.0 109.918 170.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.6 tt -57.05 -45.49 83.15 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 118.75 0.705 . . . . 0.0 110.254 -177.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -35.61 60.36 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.65 0.78 . . . . 0.0 111.286 172.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -76.27 -36.17 58.55 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.089 0.556 . . . . 0.0 111.277 176.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.7 tt -59.61 -75.81 0.05 Allowed 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 125.957 1.703 . . . . 0.0 109.094 -179.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.1 pt -52.34 -2.73 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 C-N-CA 127.523 2.329 . . . . 0.0 117.225 -167.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -94.43 -57.79 2.39 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.888 1.675 . . . . 0.0 110.159 168.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.9 mptt -81.44 32.4 0.35 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 127.503 2.321 . . . . 0.0 108.167 169.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.449 ' CG ' ' H ' ' A' ' 42' ' ' LEU . 0.4 OUTLIER -45.11 -114.21 0.0 OUTLIER 'General case' 0 N--CA 1.435 -1.18 0 N-CA-C 120.885 3.661 . . . . 0.0 120.885 -159.505 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.449 ' H ' ' CG ' ' A' ' 41' ' ' GLU . 29.5 mt -106.0 -67.74 0.91 Allowed 'General case' 0 N--CA 1.437 -1.095 0 C-N-CA 127.307 2.243 . . . . 0.0 112.555 -165.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.9 m -167.91 -24.38 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.551 1.94 . . . . 0.0 112.098 -169.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 34.4 mt . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 -170.323 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 63.9 tp . . . . . 0 CA--C 1.533 0.321 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 51.1 mtt -65.2 -41.25 94.71 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -174.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -43.12 -53.24 5.06 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.696 0.799 . . . . 0.0 112.2 -176.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -39.3 -47.98 1.78 Allowed 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 126.946 2.098 . . . . 0.0 113.443 175.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 74.5 mt -53.46 -30.51 41.2 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 126.172 1.789 . . . . 0.0 115.201 -165.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -63.15 -11.58 21.49 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 118.384 0.538 . . . . 0.0 111.697 176.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.506 ' HG3' HH11 ' A' ' 62' ' ' ARG . 0.0 OUTLIER -58.6 21.87 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 117.115 2.265 . . . . 0.0 117.115 175.733 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -51.52 -37.26 48.49 Favored 'General case' 0 CA--C 1.522 -0.126 0 CA-C-N 120.26 1.391 . . . . 0.0 111.312 172.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.433 ' HD3' ' H ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -74.65 57.93 0.77 Allowed 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 123.798 0.839 . . . . 0.0 109.092 169.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -56.25 -32.49 64.55 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 123.899 0.88 . . . . 0.0 109.583 171.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.6 tp60 -68.77 70.09 0.18 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.979 1.312 . . . . 0.0 111.483 -178.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 65.2 91.4 0.08 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 126.361 1.865 . . . . 0.0 112.574 167.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 77.6 t -73.46 132.57 33.21 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 C-N-CA 125.035 1.334 . . . . 0.0 110.409 -173.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -101.16 175.08 5.71 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.3 1.44 . . . . 0.0 109.495 169.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -59.07 -45.32 91.12 Favored 'General case' 0 C--O 1.221 -0.413 0 C-N-CA 122.751 0.421 . . . . 0.0 112.119 -173.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -65.47 -50.18 66.29 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -177.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.64 -47.11 67.28 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.142 177.165 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -54.62 -55.61 27.65 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.361 1.064 . . . . 0.0 111.522 171.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 7.2 mm -54.73 -42.56 62.24 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.348 0 C-N-CA 124.62 1.168 . . . . 0.0 110.681 -176.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.5 m -33.24 -57.2 0.41 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.898 1.679 . . . . 0.0 113.196 -172.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -63.9 -43.0 97.31 Favored 'General case' 0 C--N 1.341 0.203 0 O-C-N 121.699 -0.626 . . . . 0.0 112.052 -178.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.504 ' H ' HD12 ' A' ' 77' ' ' LEU . 6.0 mp -57.13 -40.99 78.24 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 122.561 0.345 . . . . 0.0 110.224 172.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.32 -46.83 63.29 Favored Glycine 0 CA--C 1.526 0.751 0 C-N-CA 124.429 1.014 . . . . 0.0 111.314 175.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.06 -60.99 2.69 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 117.357 0.579 . . . . 0.0 110.269 172.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 76.6 mt -51.15 -35.1 34.1 Favored 'General case' 0 CA--C 1.528 0.101 0 C-N-CA 123.921 0.888 . . . . 0.0 112.112 -173.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -41.36 -45.15 2.98 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 126.359 1.864 . . . . 0.0 111.947 177.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 66.9 mtp -55.9 -31.99 63.34 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.291 1.437 . . . . 0.0 111.522 -178.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 32.2 mm -93.73 -64.35 1.29 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 125.623 1.569 . . . . 0.0 111.733 175.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . 0.254 0.1 OUTLIER -81.44 -37.4 28.1 Favored 'General case' 0 C--N 1.343 0.295 0 N-CA-C 115.034 1.494 . . . . 0.0 115.034 -166.738 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -82.72 -52.33 6.87 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 121.744 0.783 . . . . 0.0 110.053 -170.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.439 -1.024 0 CA-C-N 113.836 -1.529 . . . . 0.0 107.752 -168.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.284 0 CA-C-O 120.636 0.255 . . . . 0.0 111.365 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 53.3 mt -59.57 -49.11 84.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 178.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -51.87 -46.9 54.68 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 124.263 0.935 . . . . 0.0 111.345 175.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 52.3 mt -63.29 -48.34 78.52 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 123.342 0.657 . . . . 0.0 110.277 177.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 75.0 mt -54.83 -48.66 72.56 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 119.43 1.014 . . . . 0.0 110.615 177.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 mm -60.87 -45.28 98.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 123.126 0.57 . . . . 0.0 110.345 177.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.04 -57.18 18.37 Favored Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -178.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -64.65 -34.11 67.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 C-N-CA 125.223 1.409 . . . . 0.0 110.073 -173.23 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -33.0 -61.89 0.27 Allowed 'General case' 0 C--N 1.342 0.271 0 C-N-CA 124.955 1.302 . . . . 0.0 113.587 178.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -91.99 -4.72 54.17 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.992 0.917 . . . . 0.0 113.364 -178.478 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 4.7 mmtm -64.78 -32.84 74.71 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 165.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 17.3 m-30 -73.67 102.33 3.9 Favored 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 105.327 -2.101 . . . . 0.0 105.327 165.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 66.1 m 121.76 -4.18 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 131.613 3.965 . . . . 0.0 110.857 -168.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.657 0 C-N-CA 126.009 1.766 . . . . 0.0 111.132 -179.666 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 4.6 mmmp? . . . . . 0 N--CA 1.449 -0.478 0 CA-C-O 121.619 0.723 . . . . 0.0 111.372 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 10.4 p-80 -78.62 45.49 0.59 Allowed 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 167.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 2.4 p -156.5 164.55 38.09 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 126.358 1.863 . . . . 0.0 107.715 -167.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 26.0 mt -70.67 175.78 4.66 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 166.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 67.6 m -127.18 130.93 50.66 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 103.525 -2.768 . . . . 0.0 103.525 164.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 3.5 pttm -40.25 -48.34 2.59 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 -168.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.66 -46.5 70.62 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 121.691 -0.63 . . . . 0.0 111.187 176.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -61.25 -28.22 69.01 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.84 0.856 . . . . 0.0 110.662 -177.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.1 -31.6 65.43 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.49 -0.756 . . . . 0.0 109.716 173.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -58.73 -26.88 64.37 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.394 -0.816 . . . . 0.0 112.215 173.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.99 -51.87 8.05 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 119.355 0.979 . . . . 0.0 108.368 173.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 tt -41.91 -54.15 3.55 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.687 1.595 . . . . 0.0 111.054 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 20.1 tt -59.87 -33.4 52.45 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 C-N-CA 123.347 0.659 . . . . 0.0 112.572 -177.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -78.49 -52.95 7.77 Favored 'General case' 0 C--N 1.338 0.104 0 CA-C-N 118.536 0.607 . . . . 0.0 110.023 178.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . 0.414 ' NZ ' ' OE2' ' B' ' 41' ' ' GLU . 7.4 mtmp? -89.55 -80.08 0.31 Allowed 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.252 0.621 . . . . 0.0 111.063 -172.009 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.414 ' OE2' ' NZ ' ' B' ' 40' ' ' LYS . 18.4 mp0 -53.49 -36.76 62.04 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.92 0.888 . . . . 0.0 113.281 -168.217 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 24.5 mt -66.95 0.61 2.39 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 176.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 3.8 m 22.47 73.98 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 127.374 2.269 . . . . 0.0 115.026 167.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . 0.311 62.3 mt 89.94 -38.79 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 125.424 1.49 . . . . 0.0 112.817 177.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.766 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 -175.622 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 16.2 t70 . . . . . 0 CA--C 1.536 0.44 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -29.48 -49.15 0.09 Allowed 'General case' 0 C--N 1.344 0.363 0 C-N-CA 126.412 1.885 . . . . 0.0 112.706 169.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 93.7 mt -53.15 -13.4 0.49 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.876 2.071 . . . . 0.0 114.085 -174.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -53.08 -18.63 2.22 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.181 0.993 . . . . 0.0 110.721 165.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.94 20.73 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 128.985 2.914 . . . . 0.0 116.871 173.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -61.51 -46.76 88.64 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 119.294 -2.129 . . . . 0.0 111.331 175.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.13 169.71 17.82 Favored 'General case' 0 N--CA 1.438 -1.055 0 CA-C-O 122.358 1.075 . . . . 0.0 109.867 178.153 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 25.8 t0 49.67 34.94 7.89 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 127.85 2.46 . . . . 0.0 113.094 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 71.1 mm-40 73.77 -49.12 0.68 Allowed 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 126.161 1.784 . . . . 0.0 115.286 168.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -147.65 -175.38 4.84 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.73 1.212 . . . . 0.0 109.054 174.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 22.8 t -59.68 121.85 8.42 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 C-N-CA 123.733 0.813 . . . . 0.0 110.245 -169.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -104.96 171.58 7.24 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.815 1.246 . . . . 0.0 110.076 -176.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -60.67 -36.32 78.43 Favored 'General case' 0 C--N 1.341 0.222 0 O-C-N 121.635 -0.666 . . . . 0.0 111.009 -171.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -52.45 -64.76 0.71 Allowed 'General case' 0 C--O 1.224 -0.254 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 172.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 31.1 mp0 -51.02 -56.88 10.31 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.784 1.234 . . . . 0.0 110.654 -177.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -43.84 -56.69 3.71 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.951 1.3 . . . . 0.0 110.847 175.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 24.7 mm -63.52 -35.84 74.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 CA-C-O 119.226 -0.416 . . . . 0.0 111.215 177.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 23.8 m -59.15 -50.32 74.48 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 108.698 -0.852 . . . . 0.0 108.698 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . 0.253 7.7 p90 -66.51 -51.31 57.98 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 117.842 -1.543 . . . . 0.0 111.916 176.025 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 39.7 mt -48.62 -42.77 35.14 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 118.373 0.533 . . . . 0.0 111.586 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -49.23 -41.24 30.78 Favored Glycine 0 CA--C 1.53 0.991 0 C-N-CA 125.35 1.452 . . . . 0.0 113.203 175.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.49 -50.54 51.52 Favored 'General case' 0 C--N 1.34 0.16 0 CA-C-N 117.991 0.895 . . . . 0.0 109.109 -177.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 4.1 mp -55.61 -40.51 72.18 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 176.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.53 8.31 0.5 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.745 1.618 . . . . 0.0 114.916 176.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 64.5 mtp -90.91 -37.36 13.59 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 164.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 25.4 mm -93.07 -65.3 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 C-N-CA 124.537 1.135 . . . . 0.0 113.831 -167.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . 0.251 0.0 OUTLIER -69.71 -12.62 61.78 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 116.561 2.06 . . . . 0.0 116.561 -165.38 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -91.66 -100.14 0.11 Allowed 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.117 1.367 . . . . 0.0 113.136 -173.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.181 0 C-N-CA 126.006 1.722 . . . . 0.0 112.117 -168.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 83.1 mt . . . . . 0 CA--C 1.53 0.204 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.37 -55.14 17.41 Favored Glycine 0 CA--C 1.524 0.616 0 C-N-CA 124.229 0.919 . . . . 0.0 111.491 179.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 69.4 tp -60.51 -60.05 4.42 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 117.585 0.692 . . . . 0.0 109.549 -175.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.5 mt -64.16 -46.77 82.57 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.902 -170.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.3 mt -65.78 -42.78 93.07 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.13 0 CA-C-N 118.389 0.54 . . . . 0.0 109.906 177.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.68 -56.72 10.8 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 176.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.6 mm -64.93 -46.61 91.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-O 118.661 -0.685 . . . . 0.0 111.069 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -28.88 -77.56 0.02 OUTLIER 'General case' 0 C--N 1.344 0.327 0 C-N-CA 126.506 1.923 . . . . 0.0 112.94 -168.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -92.79 14.33 17.62 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 125.572 1.549 . . . . 0.0 113.017 -172.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.89 -31.23 27.41 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 118.881 0.764 . . . . 0.0 110.871 177.249 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -73.87 2.74 7.83 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -178.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.7 m . . . . . 0 CA--C 1.54 0.592 0 CA-C-N 119.452 1.023 . . . . 0.0 111.337 169.262 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.407 ' HZ3' ' HB3' ' A' ' 26' ' ' LYS . 6.7 mtpm? . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -91.63 9.33 32.73 Favored 'General case' 0 CA--C 1.53 0.201 0 O-C-N 122.375 -0.203 . . . . 0.0 111.318 -173.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.5 p -145.97 152.64 39.72 Favored 'General case' 0 C--O 1.24 0.567 0 C-N-CA 126.351 1.86 . . . . 0.0 106.551 169.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.6 mp -93.42 111.91 23.69 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 169.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 17.2 m -84.5 63.8 8.07 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 123.687 0.795 . . . . 0.0 110.492 -170.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.0 mptt 66.75 -65.48 0.21 Allowed 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 127.629 2.372 . . . . 0.0 112.014 174.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.412 ' NZ ' ' OE1' ' A' ' 33' ' ' GLU . 3.2 mtmp? -51.63 -51.72 53.46 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.687 0.795 . . . . 0.0 110.147 -177.303 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.412 ' OE1' ' NZ ' ' A' ' 32' ' ' LYS . 2.1 mp0 -50.56 -46.5 57.69 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 123.193 0.597 . . . . 0.0 111.161 176.434 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 26.3 tp -71.08 -40.15 71.76 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 120.017 -0.673 . . . . 0.0 110.098 -178.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? -50.75 -45.86 59.05 Favored 'General case' 0 C--N 1.341 0.208 0 CA-C-N 118.651 0.659 . . . . 0.0 109.584 171.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -66.33 -41.82 89.06 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 121.467 0.651 . . . . 0.0 110.71 -178.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.443 HD21 HD21 ' A' ' 42' ' ' LEU . 7.8 tt -55.62 -66.04 0.49 Allowed 'General case' 0 N--CA 1.441 -0.906 0 CA-C-O 116.945 -1.502 . . . . 0.0 110.551 176.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.57 ' HA ' ' HB3' ' A' ' 41' ' ' GLU . 22.7 pt -60.22 13.22 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.556 1.18 0 C-N-CA 126.609 1.964 . . . . 0.0 115.497 -168.141 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -91.94 -71.53 0.64 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.919 1.688 . . . . 0.0 110.074 170.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.9 ptmm? -92.4 30.83 1.41 Allowed 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 128.378 2.671 . . . . 0.0 109.03 -177.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.57 ' HB3' ' HA ' ' A' ' 38' ' ' ILE . 0.1 OUTLIER -75.39 -111.97 0.01 OUTLIER 'General case' 0 N--CA 1.432 -1.33 1 N-CA-C 123.744 4.72 . . . . 0.0 123.744 -156.586 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.509 ' H ' ' CG ' ' A' ' 41' ' ' GLU . 28.2 mt -99.67 -60.44 1.53 Allowed 'General case' 0 N--CA 1.438 -1.038 0 C-N-CA 128.805 2.842 . . . . 0.0 113.347 -164.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 35.6 p -56.36 -89.09 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.439 0 O-C-N 124.721 1.263 . . . . 0.0 113.793 -166.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.218 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.813 -167.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.5 tt . . . . . 0 C--O 1.225 -0.228 0 CA-C-O 118.879 -0.581 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -90.32 -62.46 1.46 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.542 0.737 . . . . 0.0 110.226 169.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -48.96 -46.84 44.02 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.038 0.935 . . . . 0.0 112.807 -168.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.32 17.83 2.43 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -173.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 80.3 mt -90.58 -65.67 0.99 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 119.399 1.0 . . . . 0.0 110.909 173.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.15 -30.75 0.1 Allowed 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 128.254 2.622 . . . . 0.0 111.252 174.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 62' ' ' ARG . 0.7 OUTLIER -53.19 26.11 0.0 OUTLIER 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 129.977 3.311 . . . . 0.0 115.332 167.858 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.46 ' ND2' ' H ' ' A' ' 65' ' ' ASP . 9.7 t30 -32.77 -64.04 0.2 Allowed 'General case' 0 C--O 1.236 0.369 0 C-N-CA 126.998 2.119 . . . . 0.0 110.774 168.062 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.33 30.59 0.32 Allowed 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.981 1.312 . . . . 0.0 111.253 -177.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.46 ' H ' ' ND2' ' A' ' 63' ' ' ASN . 0.7 OUTLIER -23.43 -65.94 0.04 OUTLIER 'General case' 0 C--N 1.344 0.342 0 C-N-CA 128.601 2.761 . . . . 0.0 109.616 -167.279 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -99.88 -44.34 6.09 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 110.918 -2.855 . . . . 0.0 111.782 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -159.94 165.36 32.24 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.686 1.195 . . . . 0.0 109.321 170.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.6 t -79.69 119.12 28.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 C-N-CA 124.546 1.138 . . . . 0.0 109.219 -173.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -103.6 152.1 22.15 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.511 1.124 . . . . 0.0 111.131 176.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -44.83 -50.88 10.02 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 125.943 1.697 . . . . 0.0 111.178 171.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -54.86 -38.1 67.06 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 122.675 0.39 . . . . 0.0 111.374 -176.049 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -69.13 -62.33 1.42 Allowed 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 177.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -38.33 -52.82 1.52 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 126.541 1.937 . . . . 0.0 112.219 178.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 11.4 tp -66.44 -30.78 50.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 O-C-N 121.76 -0.587 . . . . 0.0 111.837 -174.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 31.2 m -59.65 -53.43 58.13 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 121.628 0.727 . . . . 0.0 110.547 -172.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -73.27 -41.91 63.09 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.233 -172.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.4 mt -46.1 -54.15 9.06 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 168.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.82 -57.96 10.08 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 124.539 1.066 . . . . 0.0 112.266 177.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.62 -58.17 7.1 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 117.015 0.408 . . . . 0.0 110.955 178.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 41.9 mt -63.41 -32.56 74.03 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -173.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -49.34 -41.05 37.58 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.66 0.664 . . . . 0.0 111.787 175.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 89.5 mtp -55.23 -36.07 65.61 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 122.605 0.362 . . . . 0.0 111.355 177.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 43.2 mt -84.41 -56.08 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 C-N-CA 123.826 0.851 . . . . 0.0 109.169 -175.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -90.07 -21.31 22.37 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 115.35 1.611 . . . . 0.0 115.35 -168.275 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -72.13 -68.38 0.47 Allowed 'General case' 0 C--N 1.342 0.28 0 CA-C-N 120.37 1.441 . . . . 0.0 111.884 -168.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 C-N-CA 126.964 2.106 . . . . 0.0 106.332 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 48.6 mt -61.02 -37.36 77.14 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 173.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -42.3 -36.96 2.27 Favored Glycine 0 C--N 1.335 0.518 0 C-N-CA 127.309 2.385 . . . . 0.0 113.967 170.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -57.57 -50.48 72.97 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.293 1.547 . . . . 0.0 109.264 175.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 39.1 mt -70.19 -50.11 43.46 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.559 1.144 . . . . 0.0 109.949 -177.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 84.5 mt -58.43 -30.56 41.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 C-N-CA 123.99 0.916 . . . . 0.0 110.532 175.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.01 -61.75 3.87 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 109.857 -1.297 . . . . 0.0 109.857 176.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 55.0 mt -49.18 -40.45 13.5 Favored 'Isoleucine or valine' 0 C--N 1.34 0.195 0 C-N-CA 123.739 0.816 . . . . 0.0 110.65 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -32.85 -71.17 0.06 Allowed 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 125.609 1.563 . . . . 0.0 113.972 -177.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 3.8 p80 -92.96 13.49 20.48 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 123.133 0.573 . . . . 0.0 112.343 -178.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -53.43 -41.67 66.3 Favored 'General case' 0 CA--C 1.527 0.084 0 CA-C-N 119.153 0.888 . . . . 0.0 110.191 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . 0.423 ' CE2' ' HB3' ' B' ' 36' ' ' GLU . 49.0 m-85 -70.44 -9.31 56.11 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -179.525 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 9.5 m -78.26 -11.79 59.96 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 118.692 0.678 . . . . 0.0 110.718 168.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 C-N-CA 124.982 1.277 . . . . 0.0 111.857 -175.045 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 53.1 tttm . . . . . 0 N--CA 1.451 -0.411 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 33.2 m170 -77.75 42.01 0.36 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.3 0.64 . . . . 0.0 112.471 -175.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 57.3 p -155.28 132.85 11.19 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 126.654 1.982 . . . . 0.0 107.057 170.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 16.3 mt -98.51 152.01 20.01 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 123.088 0.555 . . . . 0.0 109.885 175.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 15.3 m -107.96 -67.35 0.97 Allowed 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 -170.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.44 -64.07 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 125.76 1.624 . . . . 0.0 109.813 -174.127 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -55.82 -34.85 65.75 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-O 121.057 0.456 . . . . 0.0 111.568 -175.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . 0.478 ' CD ' ' H ' ' B' ' 33' ' ' GLU . 20.3 mp0 -68.61 -47.38 66.84 Favored 'General case' 0 N--CA 1.443 -0.776 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 178.312 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 23.9 mt -59.9 -46.99 87.59 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.846 -179.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -46.6 -44.51 18.26 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 118.83 0.741 . . . . 0.0 111.414 -179.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . 0.423 ' HB3' ' CE2' ' B' ' 19' ' ' TYR . 62.4 mm-40 -74.21 -43.56 56.69 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 178.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 tt -67.77 -56.9 7.44 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 124.043 0.937 . . . . 0.0 111.443 -175.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 6.1 pt -61.22 -58.27 8.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 C-N-CA 123.393 0.677 . . . . 0.0 111.877 -167.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -49.2 -56.75 8.3 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.523 0.729 . . . . 0.0 110.412 176.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -73.64 -62.21 1.57 Allowed 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -168.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -92.48 -31.08 15.39 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -168.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 17.5 mt -82.61 -56.3 3.94 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-N 119.388 0.995 . . . . 0.0 111.793 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 16.8 p -65.63 154.81 37.76 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 119.61 1.095 . . . . 0.0 111.678 -173.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -42.19 -59.13 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 125.058 1.343 . . . . 0.0 113.826 -177.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.099 0 N-CA-C 110.496 -1.042 . . . . 0.0 110.496 -168.992 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 16.9 t70 . . . . . 0 N--CA 1.455 -0.213 0 CA-C-O 121.121 0.486 . . . . 0.0 112.118 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -72.43 -1.28 15.1 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 119.748 -1.845 . . . . 0.0 113.035 175.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 77.8 mt -64.78 -3.55 3.44 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.109 -0.994 . . . . 0.0 110.948 168.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -46.28 -34.73 4.69 Favored 'General case' 0 C--N 1.346 0.453 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 163.483 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . 0.288 73.0 mtm-85 -77.62 22.97 0.24 Allowed 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 178.355 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -49.48 -44.43 45.94 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.291 0.95 . . . . 0.0 109.01 166.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . 0.343 0.0 OUTLIER 61.77 -15.23 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 118.161 2.652 . . . . 0.0 118.161 169.045 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -67.59 -24.74 65.53 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 120.213 1.37 . . . . 0.0 111.487 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.79 166.26 24.88 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 126.295 1.838 . . . . 0.0 108.691 -177.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -72.82 142.19 48.01 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 168.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 77.6 t -69.29 104.93 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 N-CA-C 106.384 -1.71 . . . . 0.0 106.384 173.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -99.88 -173.03 2.34 Favored 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 106.6 -1.63 . . . . 0.0 106.6 175.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.412 ' O ' HG22 ' B' ' 74' ' ' ILE . 32.6 t80 -61.01 -36.02 78.4 Favored 'General case' 0 C--O 1.222 -0.35 0 C-N-CA 119.36 -0.936 . . . . 0.0 110.316 -173.206 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.45 -61.24 2.44 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 118.126 0.421 . . . . 0.0 110.141 -176.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 27.4 mp0 -63.93 -51.25 65.28 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -178.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -44.69 -53.93 6.75 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.613 0.765 . . . . 0.0 112.061 -178.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . 0.412 HG22 ' O ' ' B' ' 70' ' ' PHE . 10.5 tp -77.68 -41.5 28.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 122.784 0.434 . . . . 0.0 110.923 -172.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 54.4 m -59.62 -46.41 89.07 Favored 'General case' 0 C--N 1.339 0.129 0 CA-C-O 121.597 0.713 . . . . 0.0 109.297 177.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -52.47 -62.17 1.82 Allowed 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 126.382 1.873 . . . . 0.0 109.408 171.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -42.47 -46.6 4.84 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-N 118.968 0.804 . . . . 0.0 111.336 173.64 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.16 -59.67 10.38 Favored Glycine 0 CA--C 1.526 0.768 0 C-N-CA 124.104 0.859 . . . . 0.0 111.517 178.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.75 -50.05 74.52 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 117.967 0.883 . . . . 0.0 110.115 -177.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 9.8 mp -49.75 -53.38 25.25 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 124.477 1.111 . . . . 0.0 109.761 174.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.49 -54.19 46.62 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.582 0.753 . . . . 0.0 110.799 -176.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 39.1 ttp -44.07 -54.68 5.3 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.086 1.354 . . . . 0.0 108.933 176.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 30.3 mm -65.58 -71.25 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 122.69 0.396 . . . . 0.0 111.082 178.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -61.28 -22.77 65.15 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 -167.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -64.45 -75.3 0.09 Allowed 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 177.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.666 -178.19 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 24.9 mm . . . . . 0 C--O 1.221 -0.409 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -51.29 -54.16 24.82 Favored Glycine 0 CA--C 1.525 0.695 0 C-N-CA 124.909 1.243 . . . . 0.0 111.562 175.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -54.28 -53.45 53.61 Favored 'General case' 0 CA--C 1.528 0.128 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 175.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.0 mt -56.55 -39.05 72.75 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 119.227 -0.416 . . . . 0.0 111.858 -178.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.5 mt -64.83 -48.16 85.5 Favored 'Isoleucine or valine' 0 C--O 1.23 0.076 0 C-N-CA 124.931 1.292 . . . . 0.0 109.223 176.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.0 -53.03 35.89 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.273 -1.131 . . . . 0.0 110.273 177.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.5 mm -57.6 -67.14 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 123.33 0.652 . . . . 0.0 109.448 176.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -29.9 -70.23 0.06 Allowed 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 126.471 1.908 . . . . 0.0 111.71 172.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . 0.283 1.1 m-70 -79.44 6.3 10.57 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 115.443 1.646 . . . . 0.0 115.443 -173.424 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.85 -22.59 65.12 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.825 1.193 . . . . 0.0 108.515 166.423 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -117.75 47.61 1.52 Allowed 'General case' 0 C--O 1.225 -0.202 0 C-N-CA 124.003 0.921 . . . . 0.0 109.424 -175.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.7 m . . . . . 0 CA--C 1.532 0.26 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -178.752 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.228 0 N-CA-C 107.324 -1.361 . . . . 0.0 107.324 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -148.21 -34.57 0.22 Allowed 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 -170.101 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 61.8 p -132.12 -153.03 0.53 Allowed 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -177.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.0 mp -117.16 86.21 2.47 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 173.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.2 t -50.64 78.91 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 126.3 1.84 . . . . 0.0 113.288 172.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.292 32.2 mttp 16.53 -55.99 0.0 OUTLIER 'General case' 0 C--N 1.341 0.225 1 C-N-CA 133.97 4.908 . . . . 0.0 118.967 -175.965 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.74 -32.71 44.62 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 120.134 1.333 . . . . 0.0 110.337 169.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -49.93 -56.24 11.33 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 122.028 0.918 . . . . 0.0 110.899 167.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.08 -25.68 63.64 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.307 -176.153 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.1 mmpt? -65.33 -42.85 92.5 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 120.81 -1.181 . . . . 0.0 110.865 172.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -56.55 -33.63 66.31 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 121.959 0.885 . . . . 0.0 110.959 172.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.4 tt -72.96 -75.09 0.15 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.894 1.278 . . . . 0.0 111.209 178.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 13.7 tt -43.98 -49.21 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 C-N-CA 126.196 1.799 . . . . 0.0 113.829 -168.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -59.59 -30.38 68.62 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.159 0.583 . . . . 0.0 111.26 -173.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -92.35 -91.61 0.16 Allowed 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 125.196 1.398 . . . . 0.0 113.785 -167.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.0 pm0 -84.91 -45.62 12.06 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 117.819 2.525 . . . . 0.0 117.819 -164.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.31 20.01 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 118.46 2.763 . . . . 0.0 118.46 -164.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.0 t -125.22 -166.22 1.51 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.868 1.267 . . . . 0.0 108.29 173.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.3 mt . . . . . 0 C--O 1.232 0.147 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 -178.649 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.5 mt . . . . . 0 C--O 1.234 0.252 0 CA-C-O 119.063 -0.494 . . . . 0.0 112.299 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 26.1 mmt -78.08 -57.15 3.95 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 118.979 0.809 . . . . 0.0 109.192 172.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -66.6 -15.34 63.37 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 126.033 1.733 . . . . 0.0 113.739 -169.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -59.26 -5.7 0.79 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.944 0.897 . . . . 0.0 110.4 165.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 mt -26.9 -33.33 0.0 OUTLIER 'General case' 0 C--N 1.344 0.36 1 C-N-CA 132.305 4.242 . . . . 0.0 115.73 169.532 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -42.23 -31.29 0.37 Allowed 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.242 0.928 . . . . 0.0 111.27 167.44 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -36.41 -52.12 0.83 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 127.953 2.501 . . . . 0.0 112.144 169.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -29.92 -88.65 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 129.478 3.111 . . . . 0.0 116.69 -169.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.82 128.35 35.34 Favored 'General case' 0 N--CA 1.44 -0.953 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 -167.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 41.2 t0 6.85 79.34 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 129.285 3.034 . . . . 0.0 114.073 169.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 53.11 -59.76 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 129.13 2.972 . . . . 0.0 118.356 164.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.47 157.1 1.58 Allowed 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 124.478 1.111 . . . . 0.0 111.415 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.5 p -162.82 85.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-O 123.015 1.388 . . . . 0.0 110.819 178.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -83.09 173.05 12.07 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 126.16 1.784 . . . . 0.0 109.194 171.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -47.84 -52.34 19.46 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.345 1.058 . . . . 0.0 111.425 -174.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -47.67 -47.34 29.6 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.081 0.552 . . . . 0.0 111.449 177.276 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -71.31 -53.88 12.72 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 -176.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -44.01 -45.2 7.77 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.174 1.389 . . . . 0.0 111.498 175.114 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 23.0 mm -60.8 -30.15 46.65 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 CA-C-O 117.94 -1.028 . . . . 0.0 112.629 -177.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 76.1 p -55.41 -54.31 45.28 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 121.043 1.747 . . . . 0.0 111.591 -170.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 14.6 p90 -64.32 -43.44 94.67 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.236 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 20.2 mt -52.91 -49.79 65.25 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.419 0.554 . . . . 0.0 110.018 172.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -52.89 -50.06 52.11 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 124.166 0.889 . . . . 0.0 112.684 174.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.33 -56.65 19.14 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 117.7 0.75 . . . . 0.0 110.296 176.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.4 tp -54.31 -40.31 67.82 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.249 1.419 . . . . 0.0 111.069 -177.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -46.76 -49.52 19.57 Favored 'General case' 0 C--N 1.339 0.144 0 C-N-CA 124.231 1.012 . . . . 0.0 111.553 175.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 74.7 mtm -67.38 -13.65 62.21 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 118.94 -0.553 . . . . 0.0 112.37 -178.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 45.0 mt -91.06 -71.36 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 171.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . 0.254 0.0 OUTLIER -77.17 -31.37 55.42 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -168.425 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.34 23.18 4.63 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.226 1.011 . . . . 0.0 112.155 -176.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 . . . . . 0 N--CA 1.45 -0.437 0 CA-C-O 122.809 1.29 . . . . 0.0 113.62 -169.844 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.372 0 N-CA-C 111.419 0.155 . . . . 0.0 111.419 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 39.7 mm -57.88 -48.41 83.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 171.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.35 -46.52 22.24 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.301 -0.72 . . . . 0.0 111.301 170.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.43 -46.27 89.31 Favored 'General case' 0 C--O 1.224 -0.266 0 C-N-CA 124.534 1.134 . . . . 0.0 110.027 -179.235 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 47.3 mt -56.46 -44.27 80.35 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 119.298 0.954 . . . . 0.0 111.448 173.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 48.4 mt -64.43 -36.47 77.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 176.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.01 -56.59 24.32 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.541 -1.024 . . . . 0.0 110.541 172.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 95.3 mt -55.28 -39.79 53.47 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.183 0 CA-C-O 118.208 -0.901 . . . . 0.0 109.549 178.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -56.31 -77.96 0.03 OUTLIER 'General case' 0 C--N 1.341 0.224 0 CA-C-N 118.878 0.763 . . . . 0.0 109.176 168.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . 0.442 0.3 OUTLIER -73.28 2.43 7.46 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 118.485 2.772 . . . . 0.0 118.485 -168.667 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -60.68 -38.86 86.35 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 163.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . 0.434 ' HB3' ' HB3' ' B' ' 33' ' ' GLU . 67.3 m-85 -82.05 143.53 31.47 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 169.483 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 14.7 m 91.87 36.92 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 127.006 2.122 . . . . 0.0 106.128 -164.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.922 0 O-C-N 121.935 -0.478 . . . . 0.0 113.167 -168.645 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . 0.309 0.0 OUTLIER . . . . . 0 CA--C 1.54 0.564 0 N-CA-C 120.069 3.359 . . . . 0.0 120.069 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -70.08 -24.45 63.23 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 127.215 2.206 . . . . 0.0 110.908 167.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.42 162.63 16.87 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 128.03 2.532 . . . . 0.0 108.694 -169.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 10.9 mt -71.89 114.66 10.23 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 107.154 -1.425 . . . . 0.0 107.154 168.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.22 154.89 36.79 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 170.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -41.13 -57.34 2.09 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.214 1.005 . . . . 0.0 112.285 176.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.32 -29.98 66.33 Favored 'General case' 0 C--N 1.342 0.243 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 -178.35 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . 0.434 ' HB3' ' HB3' ' B' ' 19' ' ' TYR . 5.8 mm-40 -69.68 -47.03 64.69 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 179.427 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 tt -62.18 -45.33 93.87 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 120.085 -0.646 . . . . 0.0 110.892 179.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 55.7 mmtt -52.88 -45.35 67.43 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 118.917 0.78 . . . . 0.0 110.007 176.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -71.44 -27.31 63.18 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -177.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 tt -66.9 -65.49 0.67 Allowed 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 125.897 1.679 . . . . 0.0 109.724 173.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 24.0 pt -54.92 -37.31 41.07 Favored 'Isoleucine or valine' 0 C--N 1.338 0.103 0 C-N-CA 122.969 0.508 . . . . 0.0 112.22 -168.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -66.11 -36.36 82.96 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 118.554 -0.736 . . . . 0.0 112.376 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm -93.32 -74.42 0.53 Allowed 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 115.897 1.814 . . . . 0.0 115.897 -168.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -90.72 -43.54 10.05 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 115.743 1.757 . . . . 0.0 115.743 -164.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -27.79 -70.18 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 118.088 2.625 . . . . 0.0 118.088 -165.429 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.4 154.24 18.66 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.598 1.159 . . . . 0.0 110.895 -168.021 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 31.2 pt 25.37 62.37 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 127.028 2.131 . . . . 0.0 114.57 172.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.16 0 C-N-CA 124.386 0.993 . . . . 0.0 113.848 176.573 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . 0.507 ' C ' ' H ' ' B' ' 60' ' ' LEU 0.404 0.5 OUTLIER . . . . . 0 CA--C 1.507 -0.688 0 N-CA-C 117.79 2.515 . . . . 0.0 117.79 . . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -58.8 34.75 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 130.167 3.387 . . . . 0.0 110.553 161.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.507 ' H ' ' C ' ' B' ' 58' ' ' ASP . 7.2 tt -32.2 -23.62 0.0 OUTLIER 'General case' 0 C--N 1.347 0.462 1 C-N-CA 134.644 5.177 . . . . 0.0 114.947 -172.735 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -42.2 -31.32 0.37 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.714 1.605 . . . . 0.0 110.49 164.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . 0.403 ' NH1' ' HA ' ' B' ' 58' ' ' ASP . 17.1 ptt180 -41.75 -34.38 0.62 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.562 1.945 . . . . 0.0 113.959 171.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -90.89 -101.59 0.1 Allowed 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 117.496 2.406 . . . . 0.0 117.496 -166.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.79 126.81 31.44 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 -163.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . 0.316 0.2 OUTLIER 67.56 -44.61 0.48 Allowed 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 130.602 3.561 . . . . 0.0 112.376 178.49 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 125.0 -16.47 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.439 1 C-N-CA 132.585 4.354 . . . . 0.0 112.03 169.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -103.06 173.71 6.19 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 166.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 2.8 t -124.19 145.73 30.85 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.171 0 C-N-CA 123.416 0.686 . . . . 0.0 109.354 -177.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -109.73 -154.8 0.54 Allowed 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 125.426 1.49 . . . . 0.0 108.323 175.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -76.69 -39.47 51.96 Favored 'General case' 0 C--O 1.223 -0.333 0 O-C-N 121.152 -0.967 . . . . 0.0 110.506 177.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -55.09 -56.97 13.9 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 118.382 0.537 . . . . 0.0 111.803 -172.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -61.34 -51.92 66.82 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -177.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -42.39 -62.94 0.85 Allowed 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.928 1.291 . . . . 0.0 110.77 175.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 10.9 tp -70.51 -36.1 64.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 O-C-N 121.481 -0.762 . . . . 0.0 111.071 -172.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 88.5 m -56.85 -45.76 82.2 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 119.052 0.842 . . . . 0.0 109.524 173.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -64.81 -57.14 9.67 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 126.253 1.821 . . . . 0.0 111.119 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 6.6 mp -47.15 -47.2 23.72 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 118.604 0.638 . . . . 0.0 110.188 169.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.55 -53.61 34.64 Favored Glycine 0 CA--C 1.524 0.627 0 C-N-CA 125.217 1.389 . . . . 0.0 111.03 178.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.41 -51.33 69.87 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.726 0.81 . . . . 0.0 110.623 178.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 90.5 mt -61.81 -41.98 98.44 Favored 'General case' 0 CA--C 1.532 0.272 0 O-C-N 121.786 -0.571 . . . . 0.0 110.543 -178.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.96 -43.59 98.54 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.501 0.72 . . . . 0.0 110.282 174.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 21.0 ttp -51.41 -34.15 33.41 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.932 0.893 . . . . 0.0 110.04 174.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 67.4 mt -74.81 -77.27 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 169.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . 0.28 49.9 p90 -57.43 -37.18 72.37 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 115.787 1.773 . . . . 0.0 115.787 -166.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -75.74 29.56 0.11 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.899 1.28 . . . . 0.0 112.945 175.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 . . . . . 0 CA--C 1.532 0.261 0 C-N-CA 130.706 3.603 . . . . 0.0 118.56 -169.173 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 22.9 mm . . . . . 0 CA--C 1.538 0.51 0 CA-C-O 120.899 0.381 . . . . 0.0 110.169 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -51.42 -47.33 51.32 Favored Glycine 0 CA--C 1.535 1.342 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 168.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.9 mp -60.16 -39.75 87.48 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-O 117.709 -1.139 . . . . 0.0 110.993 173.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.1 mp -55.27 -50.34 69.75 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 121.143 1.792 . . . . 0.0 110.096 172.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 86.1 mt -58.1 -44.47 87.45 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 O-C-N 121.996 -0.44 . . . . 0.0 110.51 178.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.14 -65.24 3.41 Favored Glycine 0 CA--C 1.534 1.256 0 O-C-N 121.741 -0.6 . . . . 0.0 111.948 176.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.5 tt -60.13 -31.31 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 125.591 1.556 . . . . 0.0 111.771 -169.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -30.04 -73.96 0.03 OUTLIER 'General case' 0 C--N 1.344 0.369 0 C-N-CA 125.494 1.518 . . . . 0.0 111.692 176.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -90.4 20.03 4.79 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 126.522 1.929 . . . . 0.0 113.119 -178.614 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -43.51 65.39 Favored 'General case' 0 N--CA 1.461 0.118 0 N-CA-C 104.401 -2.444 . . . . 0.0 104.401 165.579 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -69.4 78.92 0.39 Allowed 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 169.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.6 m . . . . . 0 CA--C 1.536 0.409 0 C-N-CA 126.236 1.814 . . . . 0.0 109.887 -179.614 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 43.5 mmtm . . . . . 0 CA--C 1.536 0.412 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -153.91 124.45 7.09 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.279 1.032 . . . . 0.0 109.306 -169.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 p -78.1 152.27 32.96 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 125.223 1.409 . . . . 0.0 110.317 176.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.3 mt -83.44 71.84 10.27 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 121.545 -0.722 . . . . 0.0 109.163 -176.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.0 p -64.78 73.2 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.641 1.576 . . . . 0.0 114.153 -174.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.436 ' NZ ' ' OE2' ' A' ' 67' ' ' GLU 0.331 0.0 OUTLIER 55.6 -61.4 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 129.878 3.271 . . . . 0.0 115.58 175.612 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.1 pttp -56.96 -41.09 77.68 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.187 -0.946 . . . . 0.0 109.974 175.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.6 mp0 -52.71 -51.9 58.4 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.835 -0.541 . . . . 0.0 111.215 170.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.7 mt -59.61 -44.95 93.26 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 118.358 0.526 . . . . 0.0 111.111 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.27 -51.3 45.99 Favored 'General case' 0 C--N 1.34 0.181 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 171.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -65.89 -32.33 73.78 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -175.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.2 tt -62.09 -77.4 0.05 OUTLIER 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 126.062 1.745 . . . . 0.0 109.546 176.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.2 pt -53.42 -0.48 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.553 1.081 0 N-CA-C 116.865 2.172 . . . . 0.0 116.865 -166.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.408 ' C ' ' H ' ' A' ' 41' ' ' GLU . 19.0 mm-40 -90.57 -59.85 2.07 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 120.763 1.619 . . . . 0.0 108.199 168.657 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.2 mttp -78.5 32.19 0.19 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 129.847 3.259 . . . . 0.0 107.558 169.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.408 ' H ' ' C ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -27.88 -108.12 0.0 OUTLIER 'General case' 0 N--CA 1.425 -1.712 1 C-N-CA 131.711 4.005 . . . . 0.0 118.915 -158.553 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . 0.376 7.6 mt -98.41 -97.03 0.22 Allowed 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 113.928 -1.487 . . . . 0.0 114.129 -162.378 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.0 m -157.37 156.35 32.13 Favored 'General case' 0 N--CA 1.463 0.198 0 O-C-N 121.068 -1.02 . . . . 0.0 110.304 -177.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.1 pt . . . . . 0 N--CA 1.454 -0.253 0 C-N-CA 124.069 0.948 . . . . 0.0 110.193 169.921 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 63.2 tp . . . . . 0 CA--C 1.532 0.273 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.5 tpt -58.43 -47.92 82.38 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 122.966 0.506 . . . . 0.0 110.346 -177.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -42.91 -43.27 4.03 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 125.718 1.607 . . . . 0.0 111.875 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -62.55 3.85 0.18 Allowed 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -178.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 pp -84.36 -32.69 24.1 Favored 'General case' 0 CA--C 1.528 0.116 0 O-C-N 119.889 -1.757 . . . . 0.0 109.943 169.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -49.44 -37.85 27.25 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 125.083 1.353 . . . . 0.0 111.365 -170.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 31.3 ptt85 -53.38 -19.9 3.93 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 178.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -29.96 -49.74 0.11 Allowed 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 126.906 2.082 . . . . 0.0 115.603 -174.108 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.03 103.16 1.11 Allowed 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 -176.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.299 3.3 p30 68.18 -36.44 0.31 Allowed 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 128.535 2.734 . . . . 0.0 115.41 173.054 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 67.61 20.67 9.59 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.986 1.714 . . . . 0.0 112.901 -177.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.436 ' OE2' ' NZ ' ' A' ' 31' ' ' LYS . 26.4 mm-40 -107.79 42.87 1.27 Allowed 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 105.972 -1.862 . . . . 0.0 105.972 167.429 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.4 m -62.46 158.16 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -167.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -115.48 -159.5 0.71 Allowed 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 124.982 1.313 . . . . 0.0 108.224 175.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -64.31 -31.92 73.31 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 118.886 -0.578 . . . . 0.0 111.437 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . 0.251 0.0 OUTLIER -62.65 -52.97 61.23 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 119.628 1.104 . . . . 0.0 113.582 -172.102 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.0 mp0 -60.54 -57.22 13.66 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 122.375 1.083 . . . . 0.0 108.632 -178.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -38.63 -60.39 0.82 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 126.049 1.74 . . . . 0.0 111.262 173.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 7.3 tp -72.87 -23.25 20.33 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.203 0 CA-C-O 118.634 -0.698 . . . . 0.0 112.025 -175.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 88.3 m -59.34 -56.31 23.7 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 119.884 1.22 . . . . 0.0 109.582 171.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -68.98 -46.12 68.89 Favored 'General case' 0 N--CA 1.458 -0.071 0 C-N-CA 120.359 -0.536 . . . . 0.0 111.743 -178.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.5 mt -56.69 -34.11 67.1 Favored 'General case' 0 C--O 1.224 -0.252 0 O-C-N 121.293 -0.879 . . . . 0.0 110.983 173.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.61 -47.56 82.43 Favored Glycine 0 CA--C 1.525 0.719 0 C-N-CA 124.167 0.889 . . . . 0.0 111.4 174.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.62 -49.52 64.95 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 117.699 0.749 . . . . 0.0 109.717 172.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 25.3 tp -64.05 -37.14 86.35 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 122.932 0.493 . . . . 0.0 111.57 179.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -48.33 -50.9 28.5 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 126.219 1.808 . . . . 0.0 112.302 -172.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 89.6 mtp -47.83 -34.0 8.12 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 125.658 1.849 . . . . 0.0 111.404 176.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 27.7 mm -90.96 -64.22 1.23 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 C-N-CA 124.488 1.115 . . . . 0.0 110.61 179.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . 0.272 0.2 OUTLIER -78.67 -44.49 23.57 Favored 'General case' 0 C--N 1.341 0.235 0 N-CA-C 115.704 1.742 . . . . 0.0 115.704 -166.928 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . 0.286 0.4 OUTLIER -92.12 -43.68 9.24 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 120.277 1.399 . . . . 0.0 113.323 -171.921 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 . . . . . 0 N--CA 1.448 -0.537 0 C-N-CA 123.182 0.593 . . . . 0.0 110.038 -174.165 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.197 0 CA-C-O 120.433 0.159 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 28.8 mm -62.13 -40.7 88.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 O-C-N 121.628 -0.67 . . . . 0.0 109.926 178.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.64 -44.07 16.45 Favored Glycine 0 CA--C 1.524 0.637 0 C-N-CA 125.568 1.556 . . . . 0.0 111.64 170.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.23 -62.66 1.52 Allowed 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 118.783 1.292 . . . . 0.0 108.651 175.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -54.65 -61.21 2.46 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.101 0.41 . . . . 0.0 111.15 -174.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 18.4 mt -69.59 -41.64 80.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 122.785 0.434 . . . . 0.0 110.77 -173.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.09 -63.23 3.93 Favored Glycine 0 CA--C 1.522 0.476 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -177.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 4.9 tp -54.68 -35.53 32.99 Favored 'Isoleucine or valine' 0 C--N 1.341 0.224 0 CA-C-O 119.083 -0.484 . . . . 0.0 110.636 -169.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -30.3 -69.92 0.06 Allowed 'General case' 0 C--N 1.343 0.311 0 C-N-CA 125.676 1.59 . . . . 0.0 112.129 175.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . 0.436 ' HA ' HD11 ' B' ' 29' ' ' LEU . 0.1 OUTLIER -92.07 0.79 57.47 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 -179.831 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.13 -42.9 70.02 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 120.23 1.377 . . . . 0.0 110.598 -178.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -70.54 -4.63 23.97 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -178.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 68.2 m -78.98 -6.81 57.22 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 118.854 0.752 . . . . 0.0 110.378 166.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.803 0 N-CA-C 108.127 -1.989 . . . . 0.0 108.127 -175.968 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 122.397 1.094 . . . . 0.0 111.671 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -77.69 2.56 16.44 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.108 1.363 . . . . 0.0 111.058 168.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 21.8 p -137.28 150.17 47.61 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 125.344 1.457 . . . . 0.0 108.903 177.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.436 HD11 ' HA ' ' B' ' 17' ' ' HIS . 10.4 mp -113.92 113.51 24.95 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 124.749 1.219 . . . . 0.0 107.731 179.404 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 40.8 p -79.75 58.21 2.74 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.432 1.093 . . . . 0.0 110.69 -177.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . 0.334 4.2 ptpp? 59.1 -42.87 0.07 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 130.045 3.338 . . . . 0.0 117.386 174.605 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -60.2 -45.12 94.24 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 120.541 -1.349 . . . . 0.0 109.796 178.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -57.92 -48.29 80.34 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 124.941 1.296 . . . . 0.0 109.445 175.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 13.1 tp -55.22 -51.83 65.3 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 176.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.84 -37.92 45.93 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 122.975 0.51 . . . . 0.0 110.284 178.402 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -73.48 -40.71 63.91 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 177.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.6 tt -57.68 -67.78 0.3 Allowed 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 126.246 1.818 . . . . 0.0 110.822 178.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . 0.548 ' HA ' ' HB3' ' B' ' 41' ' ' GLU . 26.7 pt -57.78 6.52 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.553 1.072 0 C-N-CA 126.744 2.017 . . . . 0.0 116.406 -167.269 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -92.81 -68.6 0.79 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 127.555 2.342 . . . . 0.0 111.93 169.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.14 33.61 0.96 Allowed 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 129.961 3.304 . . . . 0.0 109.106 178.387 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.548 ' HB3' ' HA ' ' B' ' 38' ' ' ILE . 0.1 OUTLIER -69.82 -111.42 0.0 OUTLIER 'General case' 0 N--CA 1.435 -1.212 1 N-CA-C 122.757 4.354 . . . . 0.0 122.757 -160.351 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 47.4 mt -101.26 -60.36 1.54 Allowed 'General case' 0 N--CA 1.445 -0.725 0 C-N-CA 127.445 2.298 . . . . 0.0 114.09 -164.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 18.9 p -52.62 71.62 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 129.254 3.022 . . . . 0.0 116.467 -166.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 17.9 pt -76.7 53.78 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-O 122.683 1.23 . . . . 0.0 110.242 167.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.604 0 C-N-CA 125.793 1.663 . . . . 0.0 111.858 -172.329 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 20.7 t70 . . . . . 0 CA--C 1.532 0.271 0 CA-C-O 121.252 0.548 . . . . 0.0 111.918 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -56.01 -23.76 34.9 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 113.515 0.931 . . . . 0.0 113.515 -175.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 pp -60.0 -35.25 74.65 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 120.21 -1.556 . . . . 0.0 112.816 -176.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.4 ' OD1' ' NZ ' ' B' ' 64' ' ' LYS . 11.5 t70 -85.59 -5.11 59.31 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.495 0.665 . . . . 0.0 110.638 178.535 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.91 22.07 0.05 Allowed 'General case' 0 CA--C 1.538 0.498 0 O-C-N 119.834 -1.791 . . . . 0.0 113.323 -171.065 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 26.5 t30 -31.33 -77.54 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.527 1.531 . . . . 0.0 111.653 169.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . 0.4 ' NZ ' ' OD1' ' B' ' 61' ' ' ASP . 0.0 OUTLIER 39.63 44.79 1.29 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.658 1.183 . . . . 0.0 113.191 172.736 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -71.98 -49.88 33.55 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 106.005 -1.85 . . . . 0.0 106.005 168.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -56.37 149.09 17.35 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 168.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -61.24 133.19 55.66 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 172.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 12.2 t -69.79 143.12 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 CA-C-O 122.055 0.931 . . . . 0.0 110.738 -166.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -148.18 155.53 41.5 Favored 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 127.716 2.407 . . . . 0.0 105.15 -169.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -56.53 -33.09 65.74 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 123.277 0.361 . . . . 0.0 111.156 -172.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -56.34 -61.29 2.5 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 118.786 -0.626 . . . . 0.0 111.425 176.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -70.48 -33.45 71.27 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 118.879 -1.128 . . . . 0.0 110.301 -176.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -57.51 -54.18 49.75 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.299 0.639 . . . . 0.0 111.959 176.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 8.3 tp -68.11 -24.29 29.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -167.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 23.5 m -49.03 -54.31 16.35 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 119.623 1.102 . . . . 0.0 112.617 -176.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -62.07 -50.39 72.17 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 120.006 -0.678 . . . . 0.0 110.661 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 31.0 mt -51.13 -35.61 36.45 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.691 0.796 . . . . 0.0 111.699 177.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -61.25 -47.92 88.36 Favored Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 111.5 -0.64 . . . . 0.0 111.5 176.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.35 -53.62 49.75 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 174.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 21.0 tp -52.01 -41.13 61.98 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.47 1.108 . . . . 0.0 111.465 -176.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -48.77 -43.79 38.15 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 125.231 1.412 . . . . 0.0 112.025 177.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 80.1 mtp -65.7 -18.17 65.14 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.123 0.569 . . . . 0.0 111.194 -179.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 36.0 mt -92.51 -67.68 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 C-N-CA 124.254 1.022 . . . . 0.0 110.64 170.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -90.84 -17.78 25.97 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 118.151 2.649 . . . . 0.0 118.151 -165.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -88.76 -102.43 0.09 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 120.881 1.673 . . . . 0.0 109.506 -169.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 . . . . . 0 N--CA 1.452 -0.331 0 O-C-N 121.573 -0.705 . . . . 0.0 110.635 168.516 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.1 mt . . . . . 0 CA--C 1.528 0.134 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -41.59 -46.31 4.65 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 125.453 1.501 . . . . 0.0 111.999 175.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 65.6 tp -42.39 -50.48 5.11 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 125.203 1.401 . . . . 0.0 110.977 175.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.89 -27.38 66.61 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 118.59 -0.719 . . . . 0.0 111.446 -176.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.6 mt -70.46 -44.47 77.14 Favored 'Isoleucine or valine' 0 C--N 1.34 0.187 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 169.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.39 -52.49 23.47 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 110.3 -1.12 . . . . 0.0 110.3 174.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.1 mm -58.8 -63.42 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-O 118.373 -0.822 . . . . 0.0 109.845 176.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -32.35 -68.36 0.1 Allowed 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 125.643 1.577 . . . . 0.0 109.693 174.444 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . 0.273 0.1 OUTLIER -88.93 10.89 19.74 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -171.245 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.9 ttmt -62.67 -43.82 97.83 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 104.606 -2.368 . . . . 0.0 104.606 163.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.456 ' CZ ' ' HA ' ' A' ' 37' ' ' LEU . 63.4 m-85 -75.74 73.02 2.7 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 124.976 1.311 . . . . 0.0 109.464 177.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 39.7 m . . . . . 0 N--CA 1.455 -0.188 0 C-N-CA 124.692 1.197 . . . . 0.0 109.557 170.129 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.2 ptpp? . . . . . 0 N--CA 1.451 -0.413 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -86.87 -156.64 0.33 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 121.538 -0.726 . . . . 0.0 109.308 178.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.4 p -68.63 -168.65 0.13 Allowed 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 127.88 2.472 . . . . 0.0 109.853 174.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 92.3 mt -116.03 115.5 26.23 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 104.827 -2.286 . . . . 0.0 104.827 167.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.6 172.27 8.88 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 177.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -44.91 -52.94 8.15 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.18 0.592 . . . . 0.0 111.264 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -56.89 -57.35 12.89 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 119.193 -0.432 . . . . 0.0 110.228 -177.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -49.7 -42.33 45.5 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 119.101 -0.476 . . . . 0.0 111.648 174.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -65.99 -47.41 74.6 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 119.079 0.854 . . . . 0.0 110.213 -177.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -58.73 -44.47 90.46 Favored 'General case' 0 CA--C 1.529 0.15 0 O-C-N 120.976 -1.078 . . . . 0.0 109.338 176.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -54.72 -41.97 70.98 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 122.825 0.45 . . . . 0.0 111.141 176.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.456 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 6.2 tt -54.7 -27.62 41.86 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 125.833 1.653 . . . . 0.0 113.177 176.61 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.3 tt -63.9 -16.35 18.48 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 175.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -41.68 -85.96 0.0 OUTLIER 'General case' 0 C--N 1.345 0.38 0 C-N-CA 126.504 1.922 . . . . 0.0 111.825 176.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.7 tptp -95.18 -66.38 0.92 Allowed 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 114.781 1.4 . . . . 0.0 114.781 -167.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 48.4 mp0 -68.43 -18.82 64.52 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 -163.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.76 -16.96 59.33 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 118.425 -0.797 . . . . 0.0 111.738 171.304 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.7 m 38.73 44.95 0.86 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.84 1.656 . . . . 0.0 111.887 171.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.1 pp . . . . . 0 C--O 1.233 0.226 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -168.515 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.5 mp . . . . . 0 CA--C 1.532 0.286 0 N-CA-C 110.863 -0.051 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 57.2 mtt -58.0 -68.58 0.23 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 119.003 -0.522 . . . . 0.0 111.171 175.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.49 ' C ' ' H ' ' A' ' 60' ' ' LEU . 12.1 t70 -71.17 -16.8 62.55 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 -168.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.34 32.66 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 163.213 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.49 ' H ' ' C ' ' A' ' 58' ' ' ASP . 45.7 tp -52.02 -26.15 10.12 Favored 'General case' 0 C--N 1.344 0.335 0 C-N-CA 129.022 2.929 . . . . 0.0 112.686 -169.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -45.58 -30.43 1.48 Allowed 'General case' 0 C--O 1.236 0.375 0 C-N-CA 124.508 1.123 . . . . 0.0 110.998 167.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.2 ttp85 -33.51 -38.02 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.523 1.929 . . . . 0.0 112.891 167.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -38.71 -40.62 0.62 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.677 1.591 . . . . 0.0 114.503 -179.064 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -127.06 44.77 2.84 Favored 'General case' 0 CA--C 1.529 0.136 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.2 t0 40.92 55.33 3.11 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 125.219 1.408 . . . . 0.0 112.579 -170.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 74.35 -24.68 0.21 Allowed 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 116.554 2.057 . . . . 0.0 116.554 163.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.72 114.76 5.24 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 167.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 t -122.23 143.91 33.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 C-N-CA 124.433 1.093 . . . . 0.0 113.346 -167.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -106.25 175.07 5.62 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.452 1.501 . . . . 0.0 110.774 168.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -50.0 -52.24 35.49 Favored 'General case' 0 C--N 1.344 0.329 0 C-N-CA 122.791 0.436 . . . . 0.0 110.769 -178.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.1 tm0? -55.72 -52.1 65.07 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 -173.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -57.76 -56.0 27.6 Favored 'General case' 0 C--O 1.233 0.195 0 O-C-N 122.074 -0.391 . . . . 0.0 111.521 177.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -44.5 -57.83 3.35 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 123.994 0.918 . . . . 0.0 109.255 178.203 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.5 tp -75.03 -24.93 18.08 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.998 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.569 -170.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 93.7 m -63.71 -44.17 94.41 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 119.609 1.095 . . . . 0.0 109.403 169.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.18 -49.9 75.43 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 119.115 -0.469 . . . . 0.0 110.603 178.14 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.8 mp -56.31 -51.6 67.62 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 119.845 -0.742 . . . . 0.0 109.656 168.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -40.23 -51.49 3.58 Favored Glycine 0 C--N 1.336 0.528 0 C-N-CA 128.055 2.741 . . . . 0.0 112.851 -178.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.84 -37.36 68.6 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 117.477 0.638 . . . . 0.0 112.015 -177.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 73.7 mt -90.81 -25.02 20.13 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.806 0.842 . . . . 0.0 111.724 179.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -37.18 -59.3 0.74 Allowed 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 126.757 2.023 . . . . 0.0 114.688 -167.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 2.6 mtp -67.21 -14.61 63.07 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 119.913 -0.715 . . . . 0.0 112.783 -172.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 42.7 mm -91.33 -67.81 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 C-N-CA 124.399 1.08 . . . . 0.0 109.803 169.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.409 ' O ' ' CG ' ' A' ' 84' ' ' TYR 0.27 0.0 OUTLIER -78.32 30.89 0.18 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.088 1.755 . . . . 0.0 114.211 -168.876 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -20.09 -4.32 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.752 2 N-CA-C 125.31 5.3 . . . . 0.0 125.31 -160.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 . . . . . 0 CA--C 1.537 0.469 0 CA-C-N 123.43 2.832 . . . . 0.0 106.367 164.983 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.449 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 5.1 mm -51.43 -51.71 23.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 171.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.71 -55.35 9.72 Favored Glycine 0 CA--C 1.529 0.957 0 C-N-CA 123.852 0.739 . . . . 0.0 111.561 170.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 85.7 mt -55.84 -44.8 78.33 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.324 1.062 . . . . 0.0 112.52 -177.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.32 -31.02 63.75 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 119.781 1.173 . . . . 0.0 112.228 -169.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 4.3 tt -77.51 -37.82 25.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 118.862 0.755 . . . . 0.0 109.702 168.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -44.15 -66.13 1.43 Allowed Glycine 0 CA--C 1.528 0.847 0 C-N-CA 125.661 1.6 . . . . 0.0 111.183 173.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 87.2 mt -54.06 -63.3 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 125.602 1.561 . . . . 0.0 109.16 178.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . 0.504 ' CE1' ' CE1' ' B' ' 17' ' ' HIS . 15.4 t80 -29.79 -53.79 0.15 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.654 1.982 . . . . 0.0 113.188 172.188 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . 0.504 ' CE1' ' CE1' ' B' ' 16' ' ' PHE . 1.3 m-70 -84.3 -47.2 11.0 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 119.716 1.144 . . . . 0.0 113.56 178.332 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -52.96 -30.23 33.56 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 124.757 1.223 . . . . 0.0 112.041 -179.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -60.26 -32.87 71.57 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 118.125 -0.94 . . . . 0.0 111.706 177.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 72.1 m -79.55 22.27 0.46 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.744 0.818 . . . . 0.0 112.576 170.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.154 0 N-CA-C 110.176 -1.17 . . . . 0.0 110.176 168.863 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 1.3 ptpp? . . . . . 0 N--CA 1.447 -0.594 0 CA-C-O 119.739 -0.172 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -104.65 -21.25 13.43 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.927 0.891 . . . . 0.0 111.1 -177.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -131.38 -177.23 4.31 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 126.339 1.855 . . . . 0.0 110.257 -178.623 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -116.43 124.44 50.01 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 106.118 -1.808 . . . . 0.0 106.118 169.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 69.4 m -80.61 70.27 7.29 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 124.891 1.276 . . . . 0.0 114.346 -166.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.419 ' HG2' ' H ' ' B' ' 32' ' ' LYS 0.261 0.0 OUTLIER 27.62 -68.97 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 129.119 2.968 . . . . 0.0 116.87 168.445 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.419 ' H ' ' HG2' ' B' ' 31' ' ' LYS . 3.7 ttpm? -50.51 -43.42 55.78 Favored 'General case' 0 N--CA 1.455 -0.189 0 O-C-N 120.784 -1.198 . . . . 0.0 110.15 174.274 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -66.29 -26.47 67.34 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 122.018 -0.426 . . . . 0.0 111.731 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.534 HD11 ' CE2' ' B' ' 76' ' ' PHE . 2.3 tm? -56.91 -35.56 69.15 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 171.486 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 46.2 mttm -68.0 -22.77 64.98 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 122.797 0.439 . . . . 0.0 111.437 179.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -76.1 -57.96 3.56 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 169.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -47.14 -49.09 22.9 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 127.226 2.21 . . . . 0.0 110.868 -173.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 3.2 tt -59.43 -51.97 66.4 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.15 0 C-N-CA 123.444 0.698 . . . . 0.0 111.29 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -65.02 -41.88 94.89 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -174.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -90.9 -97.64 0.11 Allowed 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 123.04 0.536 . . . . 0.0 111.738 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 27.7 mp0 -47.41 -41.91 21.05 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 126.446 1.899 . . . . 0.0 114.464 -167.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 21.0 mt -69.9 28.05 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 116.0 1.852 . . . . 0.0 116.0 -174.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 2.2 m 89.18 -19.56 0.18 Allowed 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 124.438 1.095 . . . . 0.0 112.401 169.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 18.3 mt -58.85 -44.06 89.72 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 168.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.93 0 C-N-CA 123.919 0.771 . . . . 0.0 111.537 177.414 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . 0.533 ' C ' ' H ' ' B' ' 60' ' ' LEU . 2.5 m-20 . . . . . 0 N--CA 1.469 0.524 0 N-CA-C 115.687 1.736 . . . . 0.0 115.687 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -66.55 29.68 0.02 OUTLIER 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 129.028 2.931 . . . . 0.0 109.274 162.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.533 ' H ' ' C ' ' B' ' 58' ' ' ASP . 46.6 tp -47.38 -18.68 0.12 Allowed 'General case' 0 C--N 1.345 0.395 1 C-N-CA 133.245 4.618 . . . . 0.0 113.658 -168.052 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -46.8 -28.1 1.43 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 121.201 0.524 . . . . 0.0 111.066 167.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -62.29 5.15 0.11 Allowed 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 115.637 1.717 . . . . 0.0 115.637 173.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -62.99 25.28 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 116.467 2.025 . . . . 0.0 116.467 -172.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 73.67 -60.2 0.54 Allowed 'General case' 0 C--O 1.234 0.245 0 C-N-CA 126.673 1.989 . . . . 0.0 110.641 -177.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -78.47 59.9 2.5 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 125.474 1.509 . . . . 0.0 108.781 178.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -66.52 -175.02 0.34 Allowed 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 126.886 2.074 . . . . 0.0 111.172 178.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 62.06 55.67 2.45 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 104.689 -2.337 . . . . 0.0 104.689 -167.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 11.7 m -59.8 143.07 14.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-N 114.672 -1.149 . . . . 0.0 113.855 -166.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -88.27 166.67 14.16 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.436 1.094 . . . . 0.0 109.492 171.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -47.68 -38.17 14.5 Favored 'General case' 0 C--O 1.222 -0.358 0 C-N-CA 123.627 0.771 . . . . 0.0 111.217 171.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -44.71 -57.26 3.8 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.614 0.765 . . . . 0.0 111.127 169.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.31 -47.09 68.51 Favored 'General case' 0 CA--C 1.531 0.212 0 O-C-N 120.874 -1.141 . . . . 0.0 109.529 -175.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -47.02 -52.78 14.04 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.757 0.823 . . . . 0.0 111.318 176.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 10.4 tp -71.32 -40.98 74.12 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 O-C-N 122.231 -0.293 . . . . 0.0 110.68 -171.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 34.3 p -66.59 -46.91 74.41 Favored 'General case' 0 CA--C 1.51 -0.568 0 O-C-N 121.517 -0.739 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.534 ' CE2' HD11 ' B' ' 34' ' ' LEU . 6.2 t80 -48.86 -53.92 17.41 Favored 'General case' 0 N--CA 1.44 -0.927 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.695 168.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 5.3 mt -54.98 -38.58 68.01 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 118.248 0.477 . . . . 0.0 112.158 174.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.81 -51.04 61.42 Favored Glycine 0 CA--C 1.527 0.842 0 O-C-N 121.768 -0.582 . . . . 0.0 112.063 173.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.29 -50.35 71.65 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 122.752 0.421 . . . . 0.0 110.302 175.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 73.0 mt -52.13 -50.71 61.17 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-O 119.16 -0.448 . . . . 0.0 110.353 174.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.61 -55.74 26.28 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.326 0.651 . . . . 0.0 110.377 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 37.5 mmm -48.34 -37.31 16.32 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.073 0.549 . . . . 0.0 111.375 175.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 73.2 mt -78.39 -80.31 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 C-N-CA 123.112 0.565 . . . . 0.0 111.372 175.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . 0.282 0.0 OUTLIER -69.55 -21.54 63.62 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 120.808 -1.182 . . . . 0.0 114.11 -168.599 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.37 24.22 4.04 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.049 1.34 . . . . 0.0 111.005 172.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.538 0.505 0 C-N-CA 130.119 3.368 . . . . 0.0 117.22 -173.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 61.3 mt . . . . . 0 C--O 1.234 0.289 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.67 -45.77 92.94 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.544 -1.023 . . . . 0.0 110.544 178.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 80.9 mt -57.98 -53.35 59.2 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-O 117.869 -1.062 . . . . 0.0 111.541 -177.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -49.59 -51.07 39.85 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 120.977 1.717 . . . . 0.0 110.848 178.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 86.5 mt -57.06 -54.28 32.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 CA-C-N 118.617 0.644 . . . . 0.0 111.415 175.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.83 -58.74 12.94 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 -176.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 75.0 mt -47.27 -58.97 0.77 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.513 0 C-N-CA 126.363 1.865 . . . . 0.0 108.794 173.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -40.91 -60.54 1.16 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.382 1.073 . . . . 0.0 111.854 173.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -70.1 -35.59 74.26 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 120.955 -1.091 . . . . 0.0 113.137 -175.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.5 tptp -65.35 -38.79 91.17 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 121.397 -0.814 . . . . 0.0 110.75 176.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -78.77 -21.05 48.46 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 124.35 1.06 . . . . 0.0 109.232 -178.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.8 p . . . . . 0 C--N 1.34 0.179 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 163.045 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.236 0.378 0 CA-C-O 122.566 1.174 . . . . 0.0 111.044 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -133.78 179.12 6.43 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 105.11 -2.182 . . . . 0.0 105.11 167.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.8 p 56.69 106.04 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.353 1.461 . . . . 0.0 112.13 -176.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.444 HD11 ' CD1' ' A' ' 37' ' ' LEU . 3.0 tt -65.77 130.97 45.15 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 128.071 2.548 . . . . 0.0 110.484 -169.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.3 m -70.96 122.64 20.36 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 121.604 0.716 . . . . 0.0 110.108 -178.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -31.52 55.6 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.285 1.434 . . . . 0.0 114.103 -174.164 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.429 ' NZ ' ' OE2' ' A' ' 33' ' ' GLU . 9.1 ttpp -67.03 -60.45 2.62 Favored 'General case' 0 CA--C 1.528 0.113 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 174.458 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.429 ' OE2' ' NZ ' ' A' ' 32' ' ' LYS . 14.8 mp0 -48.53 -42.31 32.86 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.888 1.275 . . . . 0.0 109.984 177.664 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.8 tp -47.05 -44.38 20.75 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.786 -0.571 . . . . 0.0 112.283 174.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.5 tptt -62.47 -34.29 76.54 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 118.409 0.55 . . . . 0.0 110.944 -176.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 68.9 tt0 -64.49 -52.61 57.03 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 171.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.444 ' CD1' HD11 ' A' ' 29' ' ' LEU . 1.5 tt -48.52 -55.46 10.97 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 125.733 1.613 . . . . 0.0 111.35 -174.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.21 -45.25 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.026 0 O-C-N 122.126 -0.359 . . . . 0.0 111.1 -177.18 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -63.33 -53.47 52.16 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 119.186 -0.435 . . . . 0.0 110.617 -177.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . 0.252 0.0 OUTLIER -92.02 -84.88 0.26 Allowed 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 179.139 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.4 mp0 -46.45 -45.2 18.02 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 115.878 1.807 . . . . 0.0 115.878 -168.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.0 mt -62.13 -16.14 50.52 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 120.25 1.386 . . . . 0.0 112.575 -179.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 15.4 m 62.18 57.73 1.95 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.963 0.801 . . . . 0.0 110.946 169.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.8 mm . . . . . 0 C--O 1.236 0.356 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 169.16 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 62.5 tp . . . . . 0 CA--C 1.53 0.211 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 28.2 ttt -72.42 -43.74 63.43 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 122.981 0.512 . . . . 0.0 111.201 -172.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 45.8 p-10 -35.12 -52.26 0.57 Allowed 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 127.243 2.217 . . . . 0.0 114.203 -173.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -51.49 -19.87 1.62 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.113 1.365 . . . . 0.0 113.309 -176.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.5 tt -41.85 -41.34 2.37 Favored 'General case' 0 C--O 1.231 0.129 0 C-N-CA 125.6 1.56 . . . . 0.0 111.263 169.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -52.88 -45.55 67.54 Favored 'General case' 0 C--O 1.227 -0.127 0 O-C-N 122.179 -0.326 . . . . 0.0 110.793 177.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.81 23.0 3.3 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.447 0.699 . . . . 0.0 112.412 178.45 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -26.14 -85.0 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 127.028 2.131 . . . . 0.0 113.552 -169.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.45 44.65 1.14 Allowed 'General case' 0 C--O 1.233 0.225 0 CA-C-N 120.028 1.285 . . . . 0.0 112.16 -177.492 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 61.08 27.93 17.71 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 123.916 0.886 . . . . 0.0 111.094 168.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 10.0 pm0 -74.32 161.77 29.55 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 122.937 0.495 . . . . 0.0 109.761 178.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.33 95.45 6.36 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 106.507 -1.664 . . . . 0.0 106.507 177.283 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.1 t -61.51 114.61 1.34 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 C-N-CA 124.985 1.314 . . . . 0.0 111.995 -167.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -73.36 157.93 36.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 120.961 -1.087 . . . . 0.0 110.284 178.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -50.81 -35.9 34.53 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 119.065 -0.493 . . . . 0.0 109.791 170.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -52.55 -56.17 17.14 Favored 'General case' 0 C--N 1.342 0.265 0 CA-C-N 118.79 0.723 . . . . 0.0 111.692 171.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -63.24 -54.63 34.25 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 -174.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -41.54 -51.38 3.92 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.148 1.379 . . . . 0.0 110.593 170.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -64.03 -46.82 92.79 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 C-N-CA 122.756 0.423 . . . . 0.0 111.414 178.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 54.7 m -58.19 -46.79 85.16 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -175.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -56.39 -62.76 1.5 Allowed 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 125.494 1.517 . . . . 0.0 112.106 173.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.59 -37.06 70.1 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 122.41 1.1 . . . . 0.0 109.013 -177.04 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.66 -30.73 21.28 Favored Glycine 0 CA--C 1.528 0.885 0 C-N-CA 127.56 2.505 . . . . 0.0 113.738 172.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.33 -25.82 67.39 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 120.694 2.247 . . . . 0.0 112.694 175.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -89.76 1.31 56.27 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.658 0.783 . . . . 0.0 110.751 175.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -44.77 -76.02 0.03 OUTLIER 'General case' 0 CA--C 1.512 -0.502 0 C-N-CA 125.421 1.488 . . . . 0.0 113.951 -168.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 92.5 mtp -64.53 -11.74 37.39 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 119.655 -0.818 . . . . 0.0 112.725 -168.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 59.1 mt -77.75 -64.52 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 169.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . 0.356 0.0 OUTLIER -90.59 26.91 1.87 Allowed 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 114.755 1.391 . . . . 0.0 114.755 -177.67 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.416 HD22 ' C ' ' A' ' 85' ' ' ASN . 0.3 OUTLIER -28.12 -56.96 0.12 Allowed 'General case' 0 CA--C 1.52 -0.201 0 C-N-CA 127.984 2.514 . . . . 0.0 115.749 -167.558 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.3 pm0 . . . . . 0 C--N 1.319 -0.757 0 C-N-CA 125.731 1.612 . . . . 0.0 114.079 -178.245 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.21 0 N-CA-C 110.727 -0.101 . . . . 0.0 110.727 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 83.2 mt -53.29 -52.0 35.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 C-N-CA 123.934 0.894 . . . . 0.0 109.294 175.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.75 -46.49 13.45 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 123.852 0.739 . . . . 0.0 111.564 174.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 49.7 tp -68.0 -13.26 62.04 Favored 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 121.542 -0.975 . . . . 0.0 113.112 -175.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 mp -89.32 -71.1 0.62 Allowed 'General case' 0 N--CA 1.449 -0.517 0 O-C-N 121.136 -0.978 . . . . 0.0 108.624 167.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.455 HD13 HG21 ' B' ' 13' ' ' ILE . 0.1 OUTLIER -89.4 -33.73 6.33 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.579 0 CA-C-N 114.408 -1.269 . . . . 0.0 112.285 -164.562 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.03 -52.13 52.2 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 108.025 -2.03 . . . . 0.0 108.025 176.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 2.6 tt -64.87 -45.48 94.76 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.453 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . 0.596 ' CE1' ' CE1' ' B' ' 17' ' ' HIS . 0.2 OUTLIER -40.01 -72.71 0.06 Allowed 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 119.503 1.047 . . . . 0.0 109.19 168.246 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . 0.596 ' CE1' ' CE1' ' B' ' 16' ' ' PHE 0.286 26.6 m-70 -82.15 20.01 1.09 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 118.472 -1.291 . . . . 0.0 112.072 -169.281 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -64.07 -43.2 96.19 Favored 'General case' 0 C--N 1.342 0.281 0 N-CA-C 104.046 -2.575 . . . . 0.0 104.046 162.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . 0.52 ' CD2' HD12 ' B' ' 37' ' ' LEU . 86.0 m-85 -77.62 61.36 2.34 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 125.463 1.505 . . . . 0.0 112.897 -168.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.8 p -108.19 -34.36 6.87 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 127.445 2.298 . . . . 0.0 106.911 166.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.769 0 C-N-CA 124.322 0.963 . . . . 0.0 110.967 171.745 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt . . . . . 0 CA--C 1.534 0.347 0 N-CA-C 110.755 -0.091 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -161.33 -141.89 0.07 Allowed 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.547 0.739 . . . . 0.0 109.698 178.377 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 5.2 p -52.43 158.58 1.19 Allowed 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 125.791 1.637 . . . . 0.0 110.982 171.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.455 ' H ' HD12 ' B' ' 29' ' ' LEU . 4.2 mp -80.23 95.96 6.45 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 106.002 -1.851 . . . . 0.0 106.002 169.387 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 29.4 m -74.51 65.85 1.32 Allowed 'General case' 0 C--O 1.238 0.498 0 N-CA-C 114.487 1.291 . . . . 0.0 114.487 -168.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 3.1 mttm 66.54 -71.24 0.09 Allowed 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 127.037 2.135 . . . . 0.0 111.619 174.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 17.0 mtmm -56.27 -53.64 54.87 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 124.514 1.126 . . . . 0.0 108.89 -172.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 21.6 mp0 -61.88 -32.68 73.07 Favored 'General case' 0 N--CA 1.438 -1.062 0 C-N-CA 125.493 1.517 . . . . 0.0 109.748 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 12.3 tp -66.86 -46.03 76.29 Favored 'General case' 0 C--N 1.341 0.209 0 O-C-N 120.706 -1.246 . . . . 0.0 109.82 173.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 43.7 mmtt -62.96 -22.35 66.75 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 119.969 -0.693 . . . . 0.0 110.729 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -65.06 -55.72 17.24 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 166.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.52 HD12 ' CD2' ' B' ' 19' ' ' TYR . 8.2 tt -47.9 -52.16 20.45 Favored 'General case' 0 CA--C 1.513 -0.476 0 C-N-CA 125.657 1.583 . . . . 0.0 111.673 -175.068 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 15.4 pt -52.98 -34.24 20.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 O-C-N 123.63 0.581 . . . . 0.0 112.253 -171.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 12.2 tp-100 -64.42 -28.27 69.57 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.912 -0.492 . . . . 0.0 111.544 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -90.83 -76.24 0.44 Allowed 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 124.265 1.026 . . . . 0.0 112.616 -173.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . 0.294 12.0 pt-20 -92.59 -82.4 0.33 Allowed 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 116.915 2.191 . . . . 0.0 116.915 -167.158 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.622 HD12 ' H ' ' B' ' 43' ' ' THR 0.448 1.7 pp -29.16 -94.93 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 118.331 2.715 . . . . 0.0 118.331 -162.781 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . 0.622 ' H ' HD12 ' B' ' 42' ' ' LEU . 14.9 p -75.5 63.92 1.55 Allowed 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 120.351 1.432 . . . . 0.0 110.144 -174.04 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . 0.3 7.5 tt 38.35 59.3 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 CA-C-O 123.824 1.773 . . . . 0.0 110.079 -168.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.764 0 C-N-CA 127.197 2.332 . . . . 0.0 113.452 -175.821 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . 0.52 ' C ' ' H ' ' B' ' 60' ' ' LEU . 36.8 t70 . . . . . 0 N--CA 1.463 0.215 0 N-CA-C 116.022 1.86 . . . . 0.0 116.022 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -68.58 26.35 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 161.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.52 ' H ' ' C ' ' B' ' 58' ' ' ASP . 3.6 pp -64.17 -5.97 5.82 Favored 'General case' 0 C--N 1.346 0.445 0 C-N-CA 126.471 1.908 . . . . 0.0 112.681 -168.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -52.77 -24.57 9.1 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 121.965 0.888 . . . . 0.0 109.959 163.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 30.9 ttm180 -48.55 -21.19 0.53 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.973 2.109 . . . . 0.0 112.456 167.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -27.77 -54.0 0.09 Allowed 'General case' 0 C--N 1.34 0.153 0 C-N-CA 129.503 3.121 . . . . 0.0 113.386 175.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 18.4 pttm -134.71 -49.64 0.77 Allowed 'General case' 0 CA--C 1.537 0.469 0 O-C-N 123.195 0.31 . . . . 0.0 111.441 -175.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 50.2 p30 -159.47 0.09 0.08 Allowed 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 -168.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 61.63 12.56 4.63 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 -171.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -86.79 79.25 8.88 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 105.843 -1.91 . . . . 0.0 105.843 168.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 55.9 t -66.69 127.55 28.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.295 -169.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -98.78 174.47 6.38 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.832 1.253 . . . . 0.0 108.988 168.107 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -50.52 -47.52 57.46 Favored 'General case' 0 C--N 1.341 0.208 0 CA-C-O 119.3 -0.381 . . . . 0.0 111.869 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -51.73 64.6 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.255 0.55 . . . . 0.0 110.005 -175.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -60.33 -52.4 65.44 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.56 0.744 . . . . 0.0 110.145 179.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -47.89 -60.83 2.3 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 124.531 1.132 . . . . 0.0 110.413 177.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 10.3 tp -64.45 -43.1 96.93 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 -174.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 29.2 m -51.92 -59.08 4.74 Favored 'General case' 0 C--N 1.34 0.192 0 C-N-CA 122.712 0.405 . . . . 0.0 110.569 178.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -72.1 -37.47 69.53 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 119.61 -0.836 . . . . 0.0 111.553 -173.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . 0.255 0.4 OUTLIER -54.75 -34.41 62.51 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 119.502 -0.879 . . . . 0.0 111.216 171.076 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.14 -37.25 16.74 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 124.63 1.109 . . . . 0.0 114.239 169.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -41.74 -67.29 0.27 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 119.043 1.422 . . . . 0.0 114.233 -169.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 19.2 mt -90.12 5.05 48.5 Favored 'General case' 0 C--N 1.333 -0.139 0 O-C-N 122.13 -0.357 . . . . 0.0 111.861 179.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.76 -46.33 70.91 Favored 'General case' 0 CA--C 1.516 -0.344 0 C-N-CA 123.507 0.723 . . . . 0.0 110.818 -172.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 29.7 ttp -58.95 -31.29 68.57 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.648 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 27.8 mm -79.69 -57.09 5.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 C-N-CA 123.998 0.919 . . . . 0.0 108.989 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -75.72 22.57 0.14 Allowed 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 118.272 -0.871 . . . . 0.0 112.838 -176.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -16.82 -101.68 0.0 OUTLIER 'General case' 0 C--O 1.235 0.31 0 C-N-CA 126.444 1.897 . . . . 0.0 114.812 -157.182 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . 0.261 7.1 tp10 . . . . . 0 N--CA 1.45 -0.451 0 CA-C-N 120.938 1.699 . . . . 0.0 110.022 -169.21 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.4 mm . . . . . 0 CA--C 1.538 0.488 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.63 -50.46 36.53 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 169.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 88.2 mt -57.18 -44.78 83.89 Favored 'General case' 0 CA--C 1.531 0.218 0 O-C-N 121.622 -0.928 . . . . 0.0 110.729 175.743 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.6 -43.93 93.57 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.838 1.199 . . . . 0.0 111.777 177.165 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.0 mm -56.34 -43.42 77.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 172.049 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -52.62 -63.13 5.2 Favored Glycine 0 CA--C 1.528 0.877 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 173.014 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.9 mm -45.87 -49.43 4.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 C-N-CA 124.62 1.168 . . . . 0.0 110.626 -176.574 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.402 ' CZ ' ' CE1' ' A' ' 17' ' ' HIS . 35.7 t80 -53.45 -81.56 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 127.025 2.13 . . . . 0.0 110.835 169.439 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.402 ' CE1' ' CZ ' ' A' ' 16' ' ' PHE . 1.9 m-70 -72.2 5.87 2.55 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 115.723 1.749 . . . . 0.0 115.723 -169.608 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -61.89 -41.21 97.61 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 165.196 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -74.15 157.47 35.92 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.583 -178.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 72.9 m . . . . . 0 CA--C 1.538 0.482 0 CA-C-O 121.474 0.654 . . . . 0.0 110.056 -169.217 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? . . . . . 0 CA--C 1.538 0.502 0 CA-C-O 119.395 -0.336 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -156.0 -111.08 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 119.328 0.967 . . . . 0.0 112.44 -166.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.3 p -95.41 144.86 25.58 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 126.485 1.914 . . . . 0.0 109.369 173.005 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.3 tt -73.92 128.36 35.32 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 126.488 1.915 . . . . 0.0 107.673 176.417 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.0 m -77.61 68.64 3.73 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 114.549 1.315 . . . . 0.0 114.549 -168.473 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp 42.53 -74.91 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 128.25 2.62 . . . . 0.0 115.818 165.337 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -25.43 61.36 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.468 1.107 . . . . 0.0 111.283 175.066 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -73.87 -22.28 59.79 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.115 -0.991 . . . . 0.0 112.13 172.469 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.4 ' O ' HD13 ' A' ' 34' ' ' LEU . 0.5 OUTLIER -65.14 -33.93 77.19 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.416 -0.803 . . . . 0.0 109.416 177.607 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.6 mmtm -52.12 -50.14 62.29 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.939 -0.476 . . . . 0.0 112.107 177.531 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 23.6 mp0 -52.58 -55.93 18.84 Favored 'General case' 0 N--CA 1.451 -0.407 0 O-C-N 121.816 -0.553 . . . . 0.0 111.627 171.477 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.86 -61.93 1.71 Allowed 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 124.271 1.028 . . . . 0.0 110.416 -177.141 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.1 tp -60.29 -47.12 93.6 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 123.413 0.685 . . . . 0.0 111.584 -169.42 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -63.0 -53.01 60.66 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 178.375 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.0 mtmp? -78.51 -71.08 0.45 Allowed 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 113.809 1.041 . . . . 0.0 113.809 -168.731 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -84.45 -99.51 0.06 Allowed 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 -167.38 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . 0.305 3.3 pp -30.71 -52.4 0.17 Allowed 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 116.846 2.165 . . . . 0.0 116.846 -164.873 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.2 p -59.11 105.38 0.32 Allowed 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.068 0.547 . . . . 0.0 111.959 -168.896 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.9 pt . . . . . 0 CA--C 1.534 0.354 0 C-N-CA 124.472 1.109 . . . . 0.0 112.573 -171.506 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.0 tp . . . . . 0 CA--C 1.536 0.437 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 53.4 ttp -63.7 -60.14 3.69 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 168.537 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.416 ' C ' ' H ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -57.34 -23.75 50.86 Favored 'General case' 0 CA--C 1.52 -0.177 0 C-N-CA 126.938 2.095 . . . . 0.0 113.238 -179.728 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -63.48 9.25 0.06 Allowed 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 122.952 0.501 . . . . 0.0 111.312 167.014 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.416 ' H ' ' C ' ' A' ' 58' ' ' ASP . 1.6 tm? -37.13 -34.61 0.08 Allowed 'General case' 0 C--N 1.347 0.461 1 C-N-CA 132.282 4.233 . . . . 0.0 110.336 163.86 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -34.17 -29.43 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 127.184 2.194 . . . . 0.0 112.76 166.41 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.3 mtm105 -43.41 -21.16 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 168.305 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -28.56 -49.34 0.07 Allowed 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 127.803 2.441 . . . . 0.0 112.995 169.909 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? -130.13 67.46 1.47 Allowed 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 168.819 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.277 3.1 p-10 28.32 47.86 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 128.211 2.604 . . . . 0.0 114.189 173.792 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 55.04 30.32 14.02 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 126.328 1.851 . . . . 0.0 112.921 173.48 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.63 59.29 1.95 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.982 1.313 . . . . 0.0 107.925 175.321 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 53.1 t -84.9 132.12 32.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 N-CA-C 113.296 0.851 . . . . 0.0 113.296 -166.091 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -120.42 178.72 4.55 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 105.105 -2.183 . . . . 0.0 105.105 164.757 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -54.04 -41.27 67.9 Favored 'General case' 0 CA--C 1.53 0.207 0 O-C-N 121.301 -0.874 . . . . 0.0 111.0 -173.88 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.42 -52.44 64.64 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 119.379 -0.343 . . . . 0.0 110.487 178.434 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -64.29 -47.45 79.45 Favored 'General case' 0 CA--C 1.522 -0.125 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 -174.745 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -48.47 -61.41 2.03 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.023 0.929 . . . . 0.0 109.443 175.625 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.7 tp -68.32 -40.76 82.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-O 119.37 -0.347 . . . . 0.0 110.577 -172.655 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.5 m -49.85 -60.31 3.02 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 124.37 1.068 . . . . 0.0 109.886 173.638 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . 0.254 0.1 OUTLIER -60.56 -44.05 96.58 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.064 -177.064 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -46.61 -51.49 15.65 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 118.904 0.775 . . . . 0.0 111.075 170.551 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.59 -53.88 41.62 Favored Glycine 0 CA--C 1.525 0.719 0 C-N-CA 124.384 0.992 . . . . 0.0 111.122 -179.922 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.9 -53.28 57.51 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.055 0.542 . . . . 0.0 110.784 179.476 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.7 mp -54.94 -49.56 71.04 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.542 0.737 . . . . 0.0 110.58 177.212 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.53 -44.47 76.71 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 122.862 0.465 . . . . 0.0 110.194 178.473 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 7.8 ttt -56.9 -22.45 37.39 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 177.642 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 41.4 mm -90.81 -74.43 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 123.718 0.807 . . . . 0.0 109.876 169.266 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . 0.252 1.2 p90 -62.7 -26.76 68.83 Favored 'General case' 0 CA--C 1.536 0.426 0 O-C-N 120.938 -1.101 . . . . 0.0 113.76 -168.637 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -91.54 27.52 1.97 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.011 1.724 . . . . 0.0 111.47 174.528 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 . . . . . 0 C--N 1.345 0.395 0 C-N-CA 129.668 3.187 . . . . 0.0 116.297 -167.883 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.109 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 72.6 mt -55.7 -53.72 34.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 176.478 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.05 -51.33 25.41 Favored Glycine 0 CA--C 1.528 0.863 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 176.683 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 81.3 mt -63.0 -43.86 97.61 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 118.753 -0.641 . . . . 0.0 111.083 -179.417 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 48.5 mt -57.98 -46.65 84.84 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 120.01 1.277 . . . . 0.0 110.872 177.688 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 67.5 mt -61.74 -41.33 90.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 175.61 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.4 -61.37 7.06 Favored Glycine 0 CA--C 1.526 0.737 0 C-N-CA 124.262 0.934 . . . . 0.0 110.843 174.537 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 20.6 mm -57.26 -35.23 47.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 118.088 0.944 . . . . 0.0 110.718 -179.435 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -58.26 -82.87 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.747 0.703 . . . . 0.0 109.137 168.211 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . 0.318 0.5 OUTLIER -70.46 -5.79 31.17 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 116.53 2.048 . . . . 0.0 116.53 -168.343 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -57.42 -39.89 77.16 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 119.715 1.143 . . . . 0.0 108.555 167.435 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -83.52 58.96 4.83 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 122.347 1.07 . . . . 0.0 110.389 175.384 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.3 m -138.03 53.97 1.81 Allowed 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 104.025 -2.583 . . . . 0.0 104.025 168.65 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.586 0 N-CA-C 109.979 -1.248 . . . . 0.0 109.979 -168.211 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 9.1 pttm . . . . . 0 CA--C 1.537 0.476 0 N-CA-C 116.547 2.054 . . . . 0.0 116.547 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 6.0 p80 179.32 -45.3 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 125.185 1.394 . . . . 0.0 111.25 -175.858 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 34.6 p -137.43 152.59 49.76 Favored 'General case' 0 C--N 1.34 0.177 0 CA-C-N 118.797 0.726 . . . . 0.0 112.72 -168.765 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 27.0 mt -83.88 111.44 19.23 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 105.437 -2.06 . . . . 0.0 105.437 168.288 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 57.6 p -84.98 81.83 8.72 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -168.153 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 17.4 mttm 64.54 -77.1 0.04 OUTLIER 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 125.619 1.567 . . . . 0.0 115.022 167.881 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.492 ' H ' ' HD3' ' B' ' 32' ' ' LYS . 0.0 OUTLIER -67.56 -42.33 82.78 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 -176.36 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -53.58 -39.0 64.48 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 172.67 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -68.34 -59.25 3.33 Favored 'General case' 0 C--N 1.343 0.318 0 O-C-N 121.224 -0.923 . . . . 0.0 108.949 177.796 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . 0.433 ' HZ3' ' CG ' ' B' ' 61' ' ' ASP . 2.4 tppt? -60.85 -27.38 68.05 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.523 -0.735 . . . . 0.0 111.572 -171.918 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -54.22 -47.46 72.14 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 119.267 0.94 . . . . 0.0 111.64 168.612 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.7 tt -55.59 -63.38 1.19 Allowed 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 126.138 1.775 . . . . 0.0 110.154 -176.426 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . 0.255 1.4 pp -33.4 -46.97 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.187 0 C-N-CA 125.947 1.699 . . . . 0.0 115.442 -166.394 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -45.86 -59.3 2.89 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.368 0.667 . . . . 0.0 111.655 -179.207 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -94.5 -78.02 0.45 Allowed 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 -168.344 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -65.68 -3.72 5.21 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 116.724 2.12 . . . . 0.0 116.724 -164.249 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 76.2 mt -90.69 5.71 47.02 Favored 'General case' 0 C--O 1.225 -0.196 0 CA-C-N 119.404 1.002 . . . . 0.0 112.055 169.94 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 78.75 -34.44 0.16 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 120.711 1.596 . . . . 0.0 112.555 177.334 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 16.0 pt -53.09 -15.04 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 C-N-CA 126.464 1.906 . . . . 0.0 114.451 -176.483 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.627 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 173.975 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 . . . . . 0 CA--C 1.533 0.305 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . 0.349 18.3 m-20 -61.74 41.31 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 129.834 3.254 . . . . 0.0 113.015 164.416 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 pp -11.41 24.25 0.0 OUTLIER 'General case' 0 C--N 1.344 0.35 1 C-N-CA 139.519 7.128 . . . . 0.0 121.455 -157.504 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.433 ' CG ' ' HZ3' ' B' ' 35' ' ' LYS . 24.9 p-10 -55.35 -35.79 65.59 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 104.961 -2.237 . . . . 0.0 104.961 157.434 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 1.6 ppt_? -64.33 -5.7 5.63 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 177.933 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -59.5 -38.14 80.11 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.955 0.798 . . . . 0.0 110.74 169.34 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -143.05 72.92 1.38 Allowed 'General case' 0 C--O 1.239 0.523 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -174.176 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 28.5 t0 53.91 21.54 2.87 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 127.32 2.248 . . . . 0.0 113.078 169.807 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 49.68 24.81 1.29 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.211 1.004 . . . . 0.0 113.256 -176.402 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -90.0 74.13 7.29 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 106.202 -1.777 . . . . 0.0 106.202 169.683 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 22.3 t -77.06 112.14 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 C-N-CA 119.952 -0.699 . . . . 0.0 109.822 -168.868 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -67.51 159.6 29.36 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 126.48 1.912 . . . . 0.0 109.17 171.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -58.85 -43.31 90.74 Favored 'General case' 0 C--O 1.227 -0.127 0 O-C-N 121.626 -0.671 . . . . 0.0 109.873 177.071 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -52.24 -56.21 16.2 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-O 119.473 -0.299 . . . . 0.0 110.324 174.151 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -57.38 -51.74 68.19 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 122.903 0.481 . . . . 0.0 110.813 -178.525 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -48.49 -50.07 33.11 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 125.059 1.343 . . . . 0.0 109.934 175.677 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 22.5 mm -67.68 -42.3 86.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 CA-C-O 118.411 -0.804 . . . . 0.0 111.885 179.183 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 77.9 m -57.03 -49.93 74.29 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 120.592 1.542 . . . . 0.0 110.219 177.316 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -53.52 -58.52 6.85 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 125.641 1.576 . . . . 0.0 110.633 175.165 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 15.4 mt -51.41 -48.21 62.71 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 117.726 0.239 . . . . 0.0 110.666 175.461 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.36 -51.43 21.27 Favored Glycine 0 CA--C 1.529 0.944 0 C-N-CA 125.711 1.624 . . . . 0.0 113.534 172.623 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.01 -54.8 43.02 Favored 'General case' 0 CA--C 1.531 0.213 0 O-C-N 121.783 -0.833 . . . . 0.0 109.513 177.505 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -52.71 -38.83 61.35 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 122.488 0.315 . . . . 0.0 111.038 176.261 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.13 -41.29 81.88 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 125.766 1.626 . . . . 0.0 111.628 -178.061 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 1.4 tmm? -74.64 -21.06 59.64 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.407 -0.808 . . . . 0.0 111.225 174.267 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 86.0 mt -73.0 -71.59 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 CA-C-N 118.888 0.767 . . . . 0.0 109.923 169.932 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . 0.253 0.7 OUTLIER -74.25 26.51 0.08 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.895 1.278 . . . . 0.0 113.799 -177.996 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -50.79 -9.78 0.06 Allowed 'General case' 0 C--O 1.235 0.326 0 N-CA-C 117.796 2.517 . . . . 0.0 117.796 -167.791 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 . . . . . 0 C--N 1.327 -0.408 0 O-C-N 120.708 -1.245 . . . . 0.0 109.749 173.519 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.8 mm . . . . . 0 CA--C 1.536 0.406 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.18 -52.31 18.08 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 124.807 1.194 . . . . 0.0 112.156 170.509 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.8 mt -54.57 -53.7 51.12 Favored 'General case' 0 C--N 1.338 0.079 0 CA-C-N 118.443 1.121 . . . . 0.0 110.146 177.589 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -54.58 -46.49 73.73 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 118.176 0.444 . . . . 0.0 110.937 178.467 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.4 mt -59.74 -36.19 64.42 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.173 0 C-N-CA 124.596 1.158 . . . . 0.0 111.418 176.868 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.44 -65.98 2.4 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 110.26 -1.136 . . . . 0.0 110.26 175.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.4 mm -44.67 -41.66 2.16 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.133 0 C-N-CA 127.081 2.152 . . . . 0.0 111.148 -178.123 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -28.73 -62.36 0.11 Allowed 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.288 1.835 . . . . 0.0 113.669 176.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -92.79 9.21 36.15 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 -173.933 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.1 tptp -63.27 -44.82 94.0 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 120.095 1.316 . . . . 0.0 109.479 173.897 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -56.82 125.0 20.48 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 123.927 0.891 . . . . 0.0 108.76 -175.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.8 p . . . . . 0 N--CA 1.469 0.48 0 C-N-CA 127.643 2.377 . . . . 0.0 112.148 -168.047 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.9 tttm . . . . . 0 CA--C 1.534 0.354 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -74.57 38.31 0.12 Allowed 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 114.419 1.266 . . . . 0.0 114.419 -173.107 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 63.8 p -153.56 139.79 18.47 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 124.617 1.167 . . . . 0.0 108.276 176.104 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 65.8 mt -98.05 100.3 11.62 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 168.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.3 m -78.95 60.96 3.03 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.249 -0.907 . . . . 0.0 111.188 -176.757 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? 62.98 -66.33 0.09 Allowed 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 127.355 2.262 . . . . 0.0 112.979 179.144 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.5 pttm -55.06 -45.96 75.34 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 119.054 0.843 . . . . 0.0 111.04 -175.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -50.31 -40.4 48.59 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 118.855 0.752 . . . . 0.0 112.166 171.882 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 tt -64.4 -21.28 66.59 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.604 -0.685 . . . . 0.0 111.245 -178.8 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.89 -41.93 75.19 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.379 -0.825 . . . . 0.0 109.552 170.414 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 59.0 tt0 -57.22 -41.55 79.71 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-O 121.445 0.64 . . . . 0.0 109.572 176.364 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 tt -58.96 -74.39 0.07 Allowed 'General case' 0 N--CA 1.439 -1.024 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.375 -171.307 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.591 ' HA ' ' HB3' ' A' ' 41' ' ' GLU . 28.6 pt -46.33 -11.65 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.556 1.191 0 N-CA-C 117.105 2.261 . . . . 0.0 117.105 -166.649 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -92.38 -53.81 4.06 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 121.149 1.795 . . . . 0.0 112.965 169.796 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.54 33.53 0.91 Allowed 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 128.732 2.813 . . . . 0.0 107.943 176.84 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.591 ' HB3' ' HA ' ' A' ' 38' ' ' ILE . 1.0 OUTLIER -64.55 -111.98 0.0 OUTLIER 'General case' 0 N--CA 1.432 -1.333 1 N-CA-C 126.118 5.599 . . . . 0.0 126.118 -153.78 . . . . . . . . 4 4 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.437 ' HG ' ' HB2' ' A' ' 41' ' ' GLU . 43.7 mt -96.45 -59.42 1.83 Allowed 'General case' 0 N--CA 1.436 -1.162 0 C-N-CA 127.653 2.381 . . . . 0.0 110.184 -163.216 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.0 m -161.55 -67.04 0.06 Allowed 'General case' 0 C--O 1.228 -0.056 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 175.128 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 34.3 pt . . . . . 0 N--CA 1.454 -0.272 0 C-N-CA 125.679 1.592 . . . . 0.0 110.417 172.097 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.7 tp . . . . . 0 N--CA 1.449 -0.495 0 CA-C-O 118.701 -0.666 . . . . 0.0 110.174 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 44.2 ttm -52.75 -49.44 65.49 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.309 0.644 . . . . 0.0 111.168 -179.72 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -56.86 -35.44 68.88 Favored 'General case' 0 CA--C 1.516 -0.328 0 C-N-CA 123.128 0.571 . . . . 0.0 111.594 176.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -63.97 -15.83 60.16 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 118.718 -0.658 . . . . 0.0 112.72 178.418 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.511 ' C ' ' H ' ' A' ' 62' ' ' ARG 0.313 37.7 mt -72.57 7.84 1.7 Allowed 'General case' 0 C--N 1.341 0.217 0 N-CA-C 118.339 2.718 . . . . 0.0 118.339 -167.18 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.413 ' OD1' ' NZ ' ' A' ' 64' ' ' LYS . 4.2 p-10 -65.18 -10.52 31.99 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 118.338 -1.345 . . . . 0.0 107.429 156.917 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.511 ' H ' ' C ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -14.03 28.07 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.697 1 C-N-CA 137.519 6.328 . . . . 0.0 121.209 -164.952 . . . . . . . . 4 4 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -53.81 -11.57 0.42 Allowed 'General case' 0 CA--C 1.539 0.556 0 O-C-N 120.83 -1.169 . . . . 0.0 113.5 174.599 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.413 ' NZ ' ' OD1' ' A' ' 61' ' ' ASP . 16.5 mttt -46.1 -14.26 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 128.619 2.767 . . . . 0.0 112.434 165.295 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -42.08 -53.29 4.01 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 165.192 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -80.53 144.02 32.81 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 168.089 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -49.29 134.57 18.25 Favored 'General case' 0 C--O 1.232 0.18 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -169.648 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 23.1 t -76.06 83.48 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 CA-C-O 122.078 0.942 . . . . 0.0 110.348 -169.128 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 -74.55 166.79 22.95 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 106.861 -1.533 . . . . 0.0 106.861 166.528 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -50.81 -45.22 59.28 Favored 'General case' 0 C--O 1.222 -0.388 0 O-C-N 121.784 -0.573 . . . . 0.0 109.688 -179.662 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -42.0 -42.66 2.91 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.679 1.192 . . . . 0.0 112.445 175.132 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -87.54 -44.21 11.44 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 119.176 0.898 . . . . 0.0 111.312 -170.886 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -49.02 -41.91 36.38 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 167.401 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 12.8 mm -64.83 -53.55 40.45 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 CA-C-O 117.082 -1.437 . . . . 0.0 112.125 173.651 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 37.5 m -41.59 -52.94 3.65 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 121.304 1.865 . . . . 0.0 110.115 178.162 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -57.63 -55.91 28.68 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 125.733 1.613 . . . . 0.0 112.051 176.552 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.7 mt -49.88 -48.77 51.2 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.28 0.491 . . . . 0.0 110.648 176.565 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.87 -47.22 80.6 Favored Glycine 0 CA--C 1.526 0.729 0 C-N-CA 125.509 1.528 . . . . 0.0 111.463 178.666 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.63 -51.21 57.52 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 122.647 0.379 . . . . 0.0 110.953 176.758 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.5 mp -69.97 -47.8 60.83 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 122.19 -0.319 . . . . 0.0 111.598 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -38.39 -54.55 1.45 Allowed 'General case' 0 C--O 1.236 0.369 0 C-N-CA 127.338 2.255 . . . . 0.0 113.311 -173.536 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 74.0 mtm -39.99 -48.98 2.47 Favored 'General case' 0 C--N 1.339 0.144 0 O-C-N 124.385 1.053 . . . . 0.0 110.631 176.822 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 38.3 mm -88.37 -70.91 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 C-N-CA 125.311 1.444 . . . . 0.0 109.806 -175.826 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . 0.267 0.0 OUTLIER -65.75 -24.16 66.89 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -166.622 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -91.39 -61.81 1.57 Allowed 'General case' 0 C--N 1.341 0.215 0 CA-C-N 118.967 0.803 . . . . 0.0 111.449 178.727 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.233 0.209 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 -166.134 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.263 0 N-CA-C 111.619 0.229 . . . . 0.0 111.619 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 33.1 mm -59.03 -45.92 92.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 176.491 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.98 -45.28 50.76 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 124.18 0.895 . . . . 0.0 110.96 174.075 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.2 tp -66.5 -62.53 1.42 Allowed 'General case' 0 N--CA 1.445 -0.687 0 O-C-N 121.855 -0.791 . . . . 0.0 110.513 -179.773 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 80.7 mt -68.78 -56.83 6.79 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 119.136 -1.026 . . . . 0.0 109.985 -173.718 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -90.95 -32.22 5.28 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-O 118.209 -0.901 . . . . 0.0 111.365 -171.411 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.62 -62.32 5.9 Favored Glycine 0 C--N 1.34 0.801 0 N-CA-C 108.437 -1.865 . . . . 0.0 108.437 -178.301 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 45.7 mt -42.27 -40.75 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.156 0 C-N-CA 123.559 0.744 . . . . 0.0 111.118 174.142 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -49.47 -58.29 5.45 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 -177.171 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -90.24 -7.3 53.83 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 176.736 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -62.56 -55.03 31.12 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 106.812 -1.551 . . . . 0.0 106.812 167.908 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 9.1 m-30 -64.92 133.16 51.2 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 176.41 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.7 t 52.59 17.13 0.75 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.345 1.858 . . . . 0.0 115.934 -169.376 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.794 0 C-N-CA 117.94 -2.076 . . . . 0.0 117.395 -169.771 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? . . . . . 0 CA--C 1.532 0.252 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -139.6 126.76 21.16 Favored 'General case' 0 C--N 1.339 0.125 0 C-N-CA 123.308 0.643 . . . . 0.0 110.027 -179.672 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 18.9 p -83.85 172.86 11.75 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 126.338 1.855 . . . . 0.0 108.925 169.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 6.3 mp -103.22 150.35 23.79 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 118.242 0.473 . . . . 0.0 110.167 176.304 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 18.6 p -120.53 171.52 8.49 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 126.587 1.955 . . . . 0.0 108.414 169.833 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 31.0 tttp -52.38 -30.28 28.18 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -171.052 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.522 ' HZ3' ' CD ' ' B' ' 33' ' ' GLU . 20.1 pttm -64.39 -31.38 72.57 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 -174.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . 0.522 ' CD ' ' HZ3' ' B' ' 32' ' ' LYS . 0.8 OUTLIER -91.05 -31.87 16.11 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 119.128 0.876 . . . . 0.0 110.031 171.319 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -51.72 -41.43 61.5 Favored 'General case' 0 C--O 1.225 -0.214 0 CA-C-N 118.554 0.616 . . . . 0.0 110.041 171.122 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -41.25 -43.72 2.46 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.397 0.679 . . . . 0.0 112.72 170.188 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -77.73 -53.4 7.57 Favored 'General case' 0 N--CA 1.454 -0.231 0 O-C-N 122.013 -0.429 . . . . 0.0 110.353 176.865 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 tt -45.66 -49.85 14.05 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.765 1.626 . . . . 0.0 109.878 -175.046 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 5.9 pt -71.86 -17.24 19.16 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -174.357 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -88.1 -58.94 2.38 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 172.209 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -82.2 -82.85 0.13 Allowed 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 123.886 0.875 . . . . 0.0 111.69 -172.365 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -51.56 -34.73 37.98 Favored 'General case' 0 CA--C 1.528 0.122 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -167.47 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 37.2 mt -64.22 -5.82 5.65 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 119.612 1.096 . . . . 0.0 113.898 176.586 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 10.5 m 46.0 -107.96 0.16 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.184 1.793 . . . . 0.0 113.549 167.661 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 44.4 mm -71.21 -18.63 20.54 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 O-C-N 121.35 -0.844 . . . . 0.0 111.284 -174.678 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.659 0 N-CA-C 109.34 -1.504 . . . . 0.0 109.34 169.863 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . 0.262 0.7 OUTLIER . . . . . 0 N--CA 1.47 0.536 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -72.9 20.48 0.08 Allowed 'General case' 0 N--CA 1.44 -0.938 0 O-C-N 121.79 -0.569 . . . . 0.0 110.977 175.176 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 12.0 mt -54.34 -24.54 19.77 Favored 'General case' 0 C--N 1.346 0.45 0 O-C-N 119.482 -2.011 . . . . 0.0 109.99 166.22 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.62 -25.51 0.48 Allowed 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 123.813 0.845 . . . . 0.0 112.539 168.298 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 11.8 ptp85 -43.31 -19.22 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 169.15 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -30.01 -41.13 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 126.988 2.115 . . . . 0.0 112.794 167.92 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . 0.289 3.2 ptmm? 65.15 -59.47 0.26 Allowed 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 127.757 2.423 . . . . 0.0 115.872 172.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -59.54 -40.58 87.7 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 119.321 0.964 . . . . 0.0 109.204 -173.815 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -129.23 121.36 27.45 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 101.911 -3.366 . . . . 0.0 101.911 163.92 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -69.63 -76.02 0.1 Allowed 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 119.025 0.83 . . . . 0.0 109.542 -172.8 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 1.6 t -139.97 104.92 1.98 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 121.592 0.71 . . . . 0.0 111.502 171.741 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -89.53 168.34 12.25 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.225 1.01 . . . . 0.0 108.328 167.35 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -55.29 -40.93 71.66 Favored 'General case' 0 C--O 1.225 -0.212 0 C-N-CA 123.509 0.724 . . . . 0.0 111.914 -169.393 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -56.89 -59.08 5.57 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 179.331 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -56.69 -52.24 65.7 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 122.949 0.5 . . . . 0.0 110.461 -178.2 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -44.39 -59.46 2.4 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 125.586 1.554 . . . . 0.0 109.771 175.543 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . 0.43 HD13 ' HA ' ' B' ' 74' ' ' ILE . 2.8 mm -59.15 -41.81 84.82 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 C-N-CA 123.681 0.793 . . . . 0.0 111.296 178.684 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 44.9 m -61.38 -49.32 77.39 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 118.843 0.747 . . . . 0.0 109.241 -176.323 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . 0.307 5.0 p90 -70.84 -37.44 73.15 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 122.01 -0.431 . . . . 0.0 112.034 -178.769 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 31.2 mt -55.55 -48.09 75.32 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.789 -0.569 . . . . 0.0 109.669 168.489 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.99 -45.92 79.45 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 125.975 1.75 . . . . 0.0 111.973 179.046 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.95 -51.72 55.14 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.732 0.266 . . . . 0.0 110.593 174.781 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 27.1 mt -63.9 -40.0 95.48 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 121.795 -0.566 . . . . 0.0 111.645 175.283 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.408 ' HA ' ' CE1' ' B' ' 84' ' ' TYR . . . -51.66 -47.02 63.95 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.726 0.81 . . . . 0.0 111.046 -178.09 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 30.5 mtp -50.55 -65.65 0.52 Allowed 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 121.263 0.554 . . . . 0.0 109.914 172.902 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.81 -53.79 40.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 123.948 0.899 . . . . 0.0 110.742 -170.007 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . 0.408 ' CE1' ' HA ' ' B' ' 81' ' ' ALA . 0.0 OUTLIER -77.46 -5.73 50.96 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -171.503 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -90.66 -100.1 0.1 Allowed 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 178.039 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.234 0.286 0 C-N-CA 125.339 1.455 . . . . 0.0 111.671 175.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.2 mmt . . . . . 0 CA--C 1.533 0.312 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 69.29 36.87 2.2 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 125.302 1.441 . . . . 0.0 109.054 -168.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 m -79.64 172.44 9.87 Favored Pre-proline 0 CA--C 1.539 0.555 0 N-CA-C 106.958 -1.497 . . . . 0.0 106.958 169.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -44.23 -59.84 0.98 Allowed 'Trans proline' 0 CA--C 1.537 0.643 0 C-N-CA 122.803 2.335 . . . . 0.0 115.637 -168.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 55.3 tp -63.32 -56.5 15.91 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 121.953 -0.467 . . . . 0.0 111.176 -174.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.85 -45.52 78.43 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 125.089 1.356 . . . . 0.0 110.943 179.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -57.48 -50.01 74.43 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.874 0.87 . . . . 0.0 110.143 174.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.85 -49.44 77.68 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-N 118.217 0.462 . . . . 0.0 111.381 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 98.1 mt -53.84 -51.03 48.45 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 175.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.52 -47.87 28.83 Favored Glycine 0 CA--C 1.528 0.87 0 C-N-CA 124.372 0.987 . . . . 0.0 111.407 173.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 52.8 tp -63.36 -49.17 74.91 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 117.768 0.784 . . . . 0.0 110.544 179.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.1 mp -54.1 -50.34 67.06 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.927 0.785 . . . . 0.0 110.612 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 90.1 mt -63.02 -46.02 97.35 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 122.75 0.42 . . . . 0.0 109.878 177.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.5 -45.48 93.02 Favored Glycine 0 CA--C 1.522 0.523 0 C-N-CA 125.186 1.374 . . . . 0.0 111.383 -178.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 20.4 mm -65.99 -53.93 32.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 177.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -40.56 -60.06 1.21 Allowed 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.68 0.792 . . . . 0.0 111.148 172.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . 0.251 2.2 m-70 -90.84 21.77 3.95 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 178.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -50.0 65.53 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 168.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -80.38 57.8 2.93 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 125.147 1.379 . . . . 0.0 108.152 -177.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.0 m -151.62 36.03 0.57 Allowed 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.234 1.014 . . . . 0.0 109.177 178.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -115.65 27.65 8.24 Favored Glycine 0 CA--C 1.528 0.855 0 N-CA-C 110.308 -1.117 . . . . 0.0 110.308 173.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.9 mttp -140.7 -121.35 0.11 Allowed 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 104.063 -2.569 . . . . 0.0 104.063 177.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.25 -87.29 0.06 Allowed 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 165.237 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.67 -51.07 3.0 Favored Glycine 0 CA--C 1.527 0.799 0 CA-C-O 118.701 -1.055 . . . . 0.0 113.734 169.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.1 t70 72.41 158.22 0.2 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 127.364 2.266 . . . . 0.0 111.343 -171.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -100.24 -37.51 8.88 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 126.417 1.887 . . . . 0.0 110.868 -179.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.0 p80 -71.94 -50.09 32.01 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 119.901 1.228 . . . . 0.0 111.214 -177.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -111.58 -168.06 1.26 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.235 1.814 . . . . 0.0 107.207 174.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -136.29 119.43 16.57 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 -179.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.3 p -62.74 150.28 41.68 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.1 0.476 . . . . 0.0 112.06 -171.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.0 mmtm -48.77 -58.18 5.19 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.732 0.813 . . . . 0.0 110.563 170.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.8 -30.95 71.98 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 120.438 -0.505 . . . . 0.0 111.286 -170.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -69.42 -45.48 69.08 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 118.759 0.709 . . . . 0.0 110.804 169.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.0 tt -55.97 -38.44 70.4 Favored 'General case' 0 N--CA 1.462 0.144 0 O-C-N 120.986 -1.071 . . . . 0.0 110.875 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.425 ' NZ ' ' OD1' ' A' ' 59' ' ' ASP . 41.5 mmtt -60.11 -9.55 3.36 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 113.437 0.902 . . . . 0.0 113.437 179.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -78.55 -49.57 13.09 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 120.11 1.323 . . . . 0.0 110.413 169.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tt -45.73 -60.42 2.22 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 126.108 1.763 . . . . 0.0 109.284 176.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.1 tt -58.48 -46.59 89.63 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.485 -170.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -65.15 -59.53 4.01 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 120.055 -0.658 . . . . 0.0 110.758 -176.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.9 mmtm -97.15 -64.77 1.01 Allowed 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 115.884 1.809 . . . . 0.0 115.884 -175.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -78.75 14.53 1.3 Allowed 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 116.531 2.048 . . . . 0.0 116.531 -165.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.88 22.95 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 117.537 2.421 . . . . 0.0 117.537 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 69.09 -71.72 0.12 Allowed 'General case' 0 CA--C 1.531 0.223 0 O-C-N 120.167 -1.583 . . . . 0.0 112.593 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 15.2 tt -72.15 -67.62 0.46 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.402 0 C-N-CA 124.594 1.157 . . . . 0.0 110.811 -170.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -22.32 -62.04 0.03 OUTLIER Glycine 0 CA--C 1.53 0.98 0 C-N-CA 128.918 3.151 . . . . 0.0 116.139 -168.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.7 p -62.32 -13.08 25.02 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 -172.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.38 -20.89 31.19 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 118.762 0.71 . . . . 0.0 110.955 175.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.402 HD22 ' N ' ' A' ' 48' ' ' LEU . 2.7 mm? -94.25 -118.68 0.1 Allowed 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 104.522 -2.399 . . . . 0.0 104.522 169.012 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -135.24 39.12 2.92 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 168.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 64.13 -61.69 0.18 Allowed 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 126.518 1.927 . . . . 0.0 114.002 -178.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 61.83 54.27 2.92 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.846 1.258 . . . . 0.0 110.11 -173.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.404 ' HG2' ' H ' ' A' ' 52' ' ' GLU . 5.3 mm-40 -44.32 -43.26 7.33 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.446 1.498 . . . . 0.0 111.328 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 29.1 pt -52.66 -35.88 21.78 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 124.856 1.262 . . . . 0.0 113.147 178.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.6 t -77.1 -39.25 28.82 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.064 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 175.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -56.56 -35.1 67.77 Favored 'General case' 0 N--CA 1.452 -0.338 0 O-C-N 121.92 -0.488 . . . . 0.0 110.939 176.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.4 mt -48.67 -28.4 3.52 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.935 0.789 . . . . 0.0 112.665 173.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 16.1 tpt -71.26 -60.02 2.46 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 118.707 0.685 . . . . 0.0 109.918 169.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.531 ' C ' ' H ' ' A' ' 60' ' ' LEU . 38.6 t70 -72.97 7.92 1.81 Allowed 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 126.56 1.944 . . . . 0.0 115.114 -176.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.425 ' OD1' ' NZ ' ' A' ' 35' ' ' LYS . 20.3 t70 -66.99 28.76 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 128.946 2.899 . . . . 0.0 109.119 163.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.531 ' H ' ' C ' ' A' ' 58' ' ' ASP . 48.1 mt -60.52 -6.47 1.63 Allowed 'General case' 0 C--N 1.344 0.367 0 C-N-CA 128.303 2.641 . . . . 0.0 111.496 -179.015 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -52.82 -20.65 3.4 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.629 0.728 . . . . 0.0 110.147 164.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.409 ' NH1' ' HB3' ' A' ' 59' ' ' ASP . 43.0 mtm-85 -54.04 -18.09 3.27 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 168.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -28.6 -70.39 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 127.461 2.304 . . . . 0.0 117.116 -167.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.403 ' NZ ' ' OE2' ' A' ' 72' ' ' GLU . 11.9 pttp -150.15 -53.46 0.15 Allowed 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 119.225 0.92 . . . . 0.0 112.744 -171.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.93 -22.37 61.48 Favored 'General case' 0 N--CA 1.461 0.116 0 C-N-CA 124.342 1.057 . . . . 0.0 111.318 -168.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 68.7 -71.94 0.11 Allowed 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 126.449 1.9 . . . . 0.0 108.161 -168.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -80.59 79.5 7.21 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 106.581 -1.637 . . . . 0.0 106.581 176.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.0 m -54.52 161.26 0.47 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.127 0 C-N-CA 125.618 1.567 . . . . 0.0 114.541 -169.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -95.08 179.3 5.26 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 125.079 1.352 . . . . 0.0 108.156 175.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -59.05 -33.2 70.5 Favored 'General case' 0 C--O 1.224 -0.256 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 168.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.47 -64.84 0.68 Allowed 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 123.55 0.74 . . . . 0.0 111.392 178.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.403 ' OE2' ' NZ ' ' A' ' 64' ' ' LYS . 27.9 mp0 -62.92 -44.86 94.94 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 119.546 1.066 . . . . 0.0 109.664 -171.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -42.66 -68.13 0.22 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.829 1.251 . . . . 0.0 110.133 170.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 9.5 tp -70.78 -25.81 26.94 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.309 0 O-C-N 121.745 -0.597 . . . . 0.0 111.108 -171.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 91.7 m -59.92 -56.88 16.3 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 118.74 0.7 . . . . 0.0 109.69 173.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.01 -44.51 72.65 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 122.237 -0.289 . . . . 0.0 110.315 -175.163 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 39.1 mt -58.52 -37.46 75.69 Favored 'General case' 0 C--O 1.224 -0.248 0 O-C-N 121.747 -0.596 . . . . 0.0 111.065 172.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.34 -49.77 74.95 Favored Glycine 0 CA--C 1.525 0.674 0 C-N-CA 124.42 1.009 . . . . 0.0 110.774 175.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.84 -51.86 59.35 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 122.531 0.332 . . . . 0.0 110.253 175.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 97.7 mt -59.8 -42.29 93.11 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 122.122 -0.361 . . . . 0.0 111.469 177.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.17 -38.65 83.84 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.564 0.746 . . . . 0.0 110.778 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 8.0 ttt -53.02 -28.49 24.45 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 119.533 -0.27 . . . . 0.0 111.158 172.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 21.5 mm -88.62 -67.12 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 C-N-CA 123.512 0.725 . . . . 0.0 109.62 174.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -61.91 -29.73 70.41 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 113.523 0.935 . . . . 0.0 113.523 -168.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -91.21 22.9 3.55 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 118.723 -0.656 . . . . 0.0 111.712 178.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.429 ' OE1' ' NZ ' ' A' ' 89' ' ' LYS . 10.9 tp10 -40.39 102.12 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 -171.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.423 ' H ' HD23 ' A' ' 88' ' ' LEU . . . -156.51 35.39 0.32 Allowed 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 126.948 2.099 . . . . 0.0 106.784 167.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.423 HD23 ' H ' ' A' ' 87' ' ' ALA . 2.3 pt? -149.14 -16.17 0.29 Allowed 'General case' 0 C--N 1.343 0.314 0 N-CA-C 114.868 1.433 . . . . 0.0 114.868 -169.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.429 ' NZ ' ' OE1' ' A' ' 86' ' ' GLU . 4.2 mtmp? -114.15 -32.42 6.01 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 124.36 1.064 . . . . 0.0 109.06 166.119 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.344 0 CA-C-O 121.717 0.62 . . . . 0.0 111.64 172.577 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 59.1 33.87 23.07 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 125.462 1.505 . . . . 0.0 112.135 -172.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 88.7 p -84.34 137.89 39.28 Favored Pre-proline 0 N--CA 1.452 -0.356 0 N-CA-C 105.247 -2.131 . . . . 0.0 105.247 168.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -25.39 -61.09 0.06 OUTLIER 'Trans proline' 0 CA--C 1.539 0.772 1 C-N-CA 125.432 4.088 . . . . 0.0 117.196 -169.026 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -56.58 -43.12 79.72 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.42 -41.25 33.5 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.43 0.692 . . . . 0.0 109.555 179.107 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -48.01 -38.99 18.39 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 126.208 1.803 . . . . 0.0 110.967 174.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -50.96 -49.56 59.79 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 118.053 0.388 . . . . 0.0 112.035 173.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . 0.403 HD12 ' N ' ' B' ' 9' ' ' ILE . 2.0 mp -68.26 -40.13 82.16 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 N-CA-C 107.929 -1.138 . . . . 0.0 107.929 174.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -41.74 -39.45 2.65 Favored Glycine 0 CA--C 1.529 0.947 0 C-N-CA 125.664 1.602 . . . . 0.0 112.6 169.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 85.1 mt -61.17 -46.41 90.63 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 119.602 1.701 . . . . 0.0 110.97 174.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 54.7 mt -63.94 -44.86 91.56 Favored 'General case' 0 C--O 1.234 0.286 0 O-C-N 121.689 -0.632 . . . . 0.0 109.809 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 81.8 mt -57.29 -40.71 75.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 C-N-CA 123.335 0.654 . . . . 0.0 109.591 171.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.23 -62.13 6.63 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 126.038 1.78 . . . . 0.0 110.094 176.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.9 mp -56.76 -48.44 81.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-N 118.852 1.326 . . . . 0.0 109.411 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.453 ' CE2' ' CE1' ' B' ' 17' ' ' HIS . 53.4 t80 -43.3 -66.91 0.32 Allowed 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 123.661 0.784 . . . . 0.0 110.863 174.116 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . 0.453 ' CE1' ' CE2' ' B' ' 16' ' ' PHE . 1.5 m-70 -85.33 0.71 51.2 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 115.948 1.832 . . . . 0.0 115.948 -175.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -59.17 -48.92 79.82 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 106.01 -1.848 . . . . 0.0 106.01 166.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -76.63 50.22 0.67 Allowed 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 122.358 1.075 . . . . 0.0 110.883 171.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 16.1 m -142.97 -1.37 1.09 Allowed 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 123.613 0.765 . . . . 0.0 111.405 167.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.77 -50.36 68.19 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 108.774 -1.731 . . . . 0.0 108.774 170.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -74.81 10.86 1.23 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.593 1.157 . . . . 0.0 112.53 178.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -111.99 1.93 16.65 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 124.585 1.154 . . . . 0.0 111.494 178.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.84 -57.05 4.81 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -130.09 163.38 26.68 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.09 0.956 . . . . 0.0 110.921 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.71 54.51 0.16 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 127.136 2.174 . . . . 0.0 113.267 -173.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 34.0 p80 -106.0 -172.05 2.02 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 121.117 -0.989 . . . . 0.0 111.094 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 1.3 p -43.68 141.47 1.5 Allowed 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 127.288 2.235 . . . . 0.0 110.629 173.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 8.2 mp -71.41 100.83 2.27 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 174.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.7 m -84.95 90.33 7.79 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 122.97 0.508 . . . . 0.0 110.714 -170.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 18.5 mttp 64.79 -82.68 0.03 OUTLIER 'General case' 0 C--O 1.232 0.152 0 C-N-CA 124.924 1.289 . . . . 0.0 113.115 169.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -51.97 -44.56 64.05 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.648 0.779 . . . . 0.0 109.507 -172.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -52.76 -50.01 64.37 Favored 'General case' 0 N--CA 1.437 -1.106 0 C-N-CA 124.032 0.933 . . . . 0.0 110.579 176.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.567 HD23 HG21 ' B' ' 68' ' ' VAL . 0.5 OUTLIER -67.45 -45.96 74.48 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 118.894 -1.123 . . . . 0.0 108.991 -175.504 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 58.2 mmtt -67.36 -26.24 66.38 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 119.568 -0.853 . . . . 0.0 110.799 -175.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -73.96 -35.92 64.57 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.846 0.858 . . . . 0.0 112.006 171.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.2 tt -68.4 -57.29 6.11 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 125.298 1.439 . . . . 0.0 110.776 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 19.4 tt -53.67 -36.45 29.0 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 C-N-CA 123.434 0.694 . . . . 0.0 112.682 -169.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -74.32 -19.48 60.45 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -93.23 -100.31 0.13 Allowed 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 178.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -86.73 -30.26 21.76 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 115.631 1.715 . . . . 0.0 115.631 -166.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -29.04 -61.63 0.13 Allowed 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 116.649 2.092 . . . . 0.0 116.649 -167.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 80.1 p -81.42 -110.19 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 120.88 0.371 . . . . 0.0 110.15 -169.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 7.1 mt -86.57 51.6 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 O-C-N 120.788 -1.195 . . . . 0.0 109.178 -174.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 61.47 -168.77 11.77 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -171.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.1 p -70.83 62.31 0.27 Allowed 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 126.645 1.978 . . . . 0.0 110.631 176.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -154.99 -41.34 0.09 Allowed 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 128.995 2.918 . . . . 0.0 107.173 -179.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 1.6 mp 65.89 -83.15 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 125.574 1.549 . . . . 0.0 111.781 171.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 68.91 -41.52 0.47 Allowed 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.679 1.992 . . . . 0.0 112.734 -175.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -53.2 142.5 20.58 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.598 1.559 . . . . 0.0 111.184 177.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.56 161.84 28.27 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 -168.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -49.47 -44.18 45.7 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.536 1.534 . . . . 0.0 109.382 170.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 37.8 pt -63.14 -26.5 41.09 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.712 0 CA-C-O 118.507 -0.759 . . . . 0.0 112.462 177.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 60.5 t -74.0 -49.08 35.66 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 119.664 1.12 . . . . 0.0 108.132 171.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 56.1 mttp -56.5 -36.92 69.69 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.984 -0.448 . . . . 0.0 111.224 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 53.2 tp -57.16 -27.49 61.94 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.572 1.149 . . . . 0.0 112.153 174.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 21.0 mmt -73.18 -62.03 1.61 Allowed 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 170.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -65.7 -9.41 27.52 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 -172.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -60.05 -4.32 0.75 Allowed 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.032 0.533 . . . . 0.0 110.141 163.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 59.9 tp -28.13 -30.92 0.0 OUTLIER 'General case' 0 C--N 1.344 0.348 1 C-N-CA 132.606 4.362 . . . . 0.0 114.933 169.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.564 ' HB2' HG22 ' B' ' 68' ' ' VAL . 2.8 p30 -44.33 -25.89 0.28 Allowed 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 122.649 1.214 . . . . 0.0 112.622 168.085 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -38.66 -36.75 0.28 Allowed 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 127.452 2.301 . . . . 0.0 111.674 167.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -41.42 -39.35 1.46 Allowed 'General case' 0 C--N 1.341 0.222 0 C-N-CA 127.459 2.304 . . . . 0.0 113.502 177.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.64 75.95 1.41 Allowed 'General case' 0 C--O 1.235 0.336 0 N-CA-C 105.407 -2.072 . . . . 0.0 105.407 -177.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 31.4 t0 16.95 55.9 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 130.256 3.422 . . . . 0.0 115.735 -174.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 61.31 10.2 2.95 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 115.799 1.777 . . . . 0.0 115.799 164.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.4 85.12 7.11 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 106.491 -1.67 . . . . 0.0 106.491 170.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.567 HG21 HD23 ' B' ' 34' ' ' LEU . 2.3 t -79.25 116.05 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -166.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -78.01 165.7 23.72 Favored 'General case' 0 CA--C 1.527 0.093 0 C-N-CA 124.647 1.179 . . . . 0.0 109.643 169.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -55.41 -45.63 76.7 Favored 'General case' 0 C--O 1.22 -0.455 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 177.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -51.07 -54.99 19.85 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 122.624 0.369 . . . . 0.0 110.803 175.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -59.77 -51.04 71.45 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.592 0.757 . . . . 0.0 109.857 -175.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -49.97 -52.12 36.17 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.663 1.185 . . . . 0.0 110.949 173.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 21.1 mm -61.07 -32.81 53.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 123.597 0.759 . . . . 0.0 110.789 178.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 26.4 m -56.29 -56.85 15.91 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 119.421 1.01 . . . . 0.0 109.91 -179.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.76 -44.61 69.83 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 119.207 -0.425 . . . . 0.0 111.304 -178.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 9.4 mt -50.1 -47.03 54.08 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 118.523 0.601 . . . . 0.0 110.374 174.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.27 -60.28 8.75 Favored Glycine 0 CA--C 1.523 0.567 0 C-N-CA 124.816 1.198 . . . . 0.0 111.49 174.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -49.81 -54.21 20.65 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.007 0.523 . . . . 0.0 110.978 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 42.2 mt -61.86 -48.51 80.21 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 123.571 0.748 . . . . 0.0 111.011 -179.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.26 -40.62 82.3 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 123.658 0.783 . . . . 0.0 110.041 -178.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . 0.451 ' HA ' HD13 ' B' ' 88' ' ' LEU . 11.6 ttt -53.99 -26.11 24.41 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 122.643 0.377 . . . . 0.0 111.531 175.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 32.5 mm -90.85 -69.56 0.62 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 C-N-CA 123.883 0.873 . . . . 0.0 110.156 171.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 17.2 p90 -61.75 -33.38 73.96 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 -168.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -91.39 21.33 4.57 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.652 0.781 . . . . 0.0 111.704 -178.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -45.68 107.32 0.1 Allowed 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 -169.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . 0.488 ' H ' HD12 ' B' ' 88' ' ' LEU . . . -159.81 37.48 0.19 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 130.602 3.561 . . . . 0.0 104.733 167.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.488 HD12 ' H ' ' B' ' 87' ' ' ALA . 1.0 OUTLIER -127.49 -55.42 1.33 Allowed 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 128.159 2.583 . . . . 0.0 109.911 -167.763 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 30.9 mtmm -90.89 -28.27 18.22 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 125.097 1.359 . . . . 0.0 111.403 -176.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.36 0 C-N-CA 125.526 1.536 . . . . 0.0 110.909 -176.512 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.2 mtp . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 107.383 -1.34 . . . . 0.0 107.383 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.07 -87.74 0.4 Allowed 'General case' 0 CA--C 1.528 0.109 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 -168.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.7 p -67.27 162.27 56.77 Favored Pre-proline 0 C--N 1.327 -0.371 0 C-N-CA 123.711 0.804 . . . . 0.0 110.709 -169.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -48.87 -35.3 30.87 Favored 'Trans proline' 0 N--CA 1.455 -0.763 0 C-N-CA 122.424 2.083 . . . . 0.0 112.361 168.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 55.1 tp -63.98 -48.5 76.17 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 174.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -56.21 -49.27 74.56 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 176.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 55.0 mm-40 -54.52 -46.73 73.59 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 122.341 -0.224 . . . . 0.0 110.471 176.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.8 -53.41 58.16 Favored 'General case' 0 C--O 1.227 -0.12 0 C-N-CA 122.87 0.468 . . . . 0.0 110.567 178.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 92.8 mt -52.2 -52.41 24.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 177.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.35 -55.12 13.55 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 123.591 0.615 . . . . 0.0 111.911 176.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 50.4 tp -59.56 -53.28 59.85 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.959 0.904 . . . . 0.0 110.116 -176.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 mp -60.05 -50.96 71.65 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 124.218 1.007 . . . . 0.0 110.952 -176.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.511 HG12 HD21 ' B' ' 88' ' ' LEU . 55.6 mt -63.76 -41.68 93.4 Favored 'Isoleucine or valine' 0 C--N 1.339 0.15 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 178.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.21 -60.9 8.04 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 110.744 -0.943 . . . . 0.0 110.744 177.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 81.9 mt -59.36 -37.08 67.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 O-C-N 122.439 -0.448 . . . . 0.0 110.402 -178.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -58.75 -74.87 0.06 Allowed 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 118.777 0.717 . . . . 0.0 110.778 170.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -78.56 -31.05 47.15 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 117.326 2.343 . . . . 0.0 117.326 -164.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.37 -36.89 79.09 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 120.115 1.325 . . . . 0.0 109.65 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -67.65 -7.0 23.15 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.113 0.965 . . . . 0.0 112.076 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 51.1 m -63.64 -30.19 71.33 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 120.985 -1.072 . . . . 0.0 109.978 167.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 127.88 -74.03 0.44 Allowed Glycine 0 C--N 1.336 0.541 0 N-CA-C 106.546 -2.622 . . . . 0.0 106.546 -174.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.406 ' NZ ' ' OE1' ' A' ' 23' ' ' GLU . 3.4 mmmp? -82.13 -135.93 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 167.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.406 ' OE1' ' NZ ' ' A' ' 22' ' ' LYS . 22.9 mp0 -123.76 -16.6 6.62 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.306 0.643 . . . . 0.0 111.304 -169.345 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -165.78 37.38 0.26 Allowed Glycine 0 CA--C 1.528 0.891 0 N-CA-C 110.342 -1.103 . . . . 0.0 110.342 175.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.6 p-10 -82.47 -69.9 0.59 Allowed 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 125.659 1.584 . . . . 0.0 108.745 177.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.6 mmtm -82.87 106.28 14.57 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 105.967 -1.864 . . . . 0.0 105.967 175.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 52.5 m80 -65.72 -34.37 78.05 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 122.128 -0.357 . . . . 0.0 110.255 -175.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.3 p -97.1 156.97 16.15 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 106.496 -1.668 . . . . 0.0 106.496 166.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.9 mp -71.62 137.97 48.34 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 120.956 -1.09 . . . . 0.0 109.034 175.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.5 p -83.13 50.99 1.85 Allowed 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -169.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 36.4 mttm 67.96 -73.81 0.08 Allowed 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 125.886 1.675 . . . . 0.0 114.401 168.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -38.92 90.95 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.968 -0.458 . . . . 0.0 110.427 -170.082 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 50.6 mp0 -56.11 -35.43 67.05 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 122.433 0.293 . . . . 0.0 110.534 174.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.88 -43.84 97.72 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 119.87 -0.732 . . . . 0.0 110.469 -174.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -62.82 -20.04 64.65 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.658 -0.651 . . . . 0.0 112.273 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -79.29 -51.55 9.3 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 121.56 0.695 . . . . 0.0 109.897 169.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 tt -52.39 -42.45 64.03 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 125.852 1.661 . . . . 0.0 111.639 -176.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 7.0 pt -62.72 -32.65 56.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 120.095 -1.628 . . . . 0.0 112.608 178.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -63.27 -59.27 4.95 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 115.198 1.555 . . . . 0.0 115.198 -165.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.3 mtmm -92.86 -48.49 6.52 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 122.159 0.981 . . . . 0.0 111.27 -166.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -89.77 -49.18 6.78 Favored 'General case' 0 N--CA 1.437 -1.086 0 C-N-CA 127.181 2.193 . . . . 0.0 112.15 -165.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.7 mt -77.79 -70.12 0.5 Allowed 'General case' 0 C--N 1.342 0.26 0 CA-C-N 119.869 1.213 . . . . 0.0 112.241 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 42.0 p -77.01 93.61 3.85 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -163.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.8 mm -73.79 -77.18 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 CA-C-O 120.916 0.388 . . . . 0.0 110.181 170.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 44.11 33.51 2.83 Favored Glycine 0 CA--C 1.528 0.86 0 C-N-CA 126.319 1.914 . . . . 0.0 114.935 171.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.0 m 42.79 39.41 1.68 Allowed 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.619 1.168 . . . . 0.0 112.217 -175.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 53.0 mttt -58.67 -37.71 76.62 Favored 'General case' 0 C--N 1.34 0.157 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 -169.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 tm? 58.72 -82.29 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.223 1.409 . . . . 0.0 111.33 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -86.33 -18.11 32.77 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.013 0.925 . . . . 0.0 112.57 178.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.7 t70 58.12 -117.39 0.96 Allowed 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 -171.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 98.35 138.16 0.02 OUTLIER 'General case' 0 C--N 1.334 -0.085 0 C-N-CA 129.314 3.045 . . . . 0.0 109.498 -173.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -56.32 -32.27 64.5 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.962 -0.461 . . . . 0.0 110.71 172.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 39.5 mm -49.93 -41.76 18.0 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 C-N-CA 123.726 0.811 . . . . 0.0 110.67 169.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 52.8 t -79.96 -35.62 16.22 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.255 0 CA-C-N 118.156 0.434 . . . . 0.0 109.947 174.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.2 mttp -60.72 -22.23 63.77 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 119.74 1.155 . . . . 0.0 113.098 176.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.4 mp -52.81 -30.54 33.95 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 119.976 1.262 . . . . 0.0 110.698 168.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.4 tmm? -67.12 -56.56 9.47 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 171.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -47.1 -53.13 13.5 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 123.911 0.884 . . . . 0.0 110.71 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -65.84 20.96 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.636 1.974 . . . . 0.0 115.897 -167.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 62.8 tp -65.18 -47.46 76.89 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 121.102 -0.999 . . . . 0.0 109.363 168.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -48.26 -39.51 21.75 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 124.42 1.088 . . . . 0.0 110.408 174.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -6.4 1.49 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.171 1.788 . . . . 0.0 114.099 -177.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -27.32 -77.73 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 128.203 2.601 . . . . 0.0 114.025 176.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -79.7 85.13 5.43 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 121.283 -0.886 . . . . 0.0 110.86 -172.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.1 t70 42.14 49.34 4.29 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 126.643 1.977 . . . . 0.0 111.501 177.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 62.11 4.93 1.32 Allowed 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 115.513 1.671 . . . . 0.0 115.513 175.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -99.05 103.73 15.7 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 119.911 1.232 . . . . 0.0 110.572 -178.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.7 m -93.36 141.52 14.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 121.455 0.645 . . . . 0.0 110.795 170.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -104.34 172.71 6.65 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 128.172 2.589 . . . . 0.0 105.622 166.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -54.28 -43.43 71.02 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-O 118.612 -0.709 . . . . 0.0 112.352 -169.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -54.79 -57.36 11.86 Favored 'General case' 0 C--N 1.338 0.107 0 CA-C-N 118.768 0.713 . . . . 0.0 110.542 -178.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.14 -52.32 65.83 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -176.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -47.05 -56.38 6.59 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.51 1.124 . . . . 0.0 111.127 177.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.9 tp -73.85 -39.76 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 CA-C-O 119.338 -0.363 . . . . 0.0 110.185 -171.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 76.4 m -52.59 -52.61 54.42 Favored 'General case' 0 C--N 1.341 0.196 0 C-N-CA 123.391 0.676 . . . . 0.0 109.274 173.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -53.64 -55.45 25.83 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.744 1.218 . . . . 0.0 110.739 175.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.06 -53.34 10.39 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.036 0.534 . . . . 0.0 111.23 173.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.58 -50.62 59.54 Favored Glycine 0 CA--C 1.526 0.729 0 C-N-CA 124.474 1.035 . . . . 0.0 111.43 178.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.42 -52.45 65.58 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 117.267 0.533 . . . . 0.0 110.719 -178.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.2 mp -70.07 -34.07 72.72 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 121.547 -0.72 . . . . 0.0 110.689 -177.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.7 -50.43 73.23 Favored 'General case' 0 N--CA 1.455 -0.186 0 O-C-N 121.785 -0.572 . . . . 0.0 110.582 173.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.405 ' HA ' HD23 ' A' ' 88' ' ' LEU . 66.5 mtp -48.47 -37.16 16.64 Favored 'General case' 0 C--N 1.341 0.205 0 CA-C-N 118.402 0.546 . . . . 0.0 111.333 175.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 92.9 mt -76.39 -65.4 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 C-N-CA 122.782 0.433 . . . . 0.0 110.126 179.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -77.07 -29.52 55.08 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 -168.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.418 ' HB3' HD11 ' A' ' 88' ' ' LEU . 0.2 OUTLIER -91.15 24.7 2.76 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.108 0.963 . . . . 0.0 113.546 -167.543 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -28.31 104.02 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 126.017 1.727 . . . . 0.0 114.851 -169.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 178.08 -52.8 0.01 OUTLIER 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 127.536 2.334 . . . . 0.0 107.029 -178.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.486 ' H ' HD22 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -49.38 -39.75 33.4 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.467 1.107 . . . . 0.0 113.447 175.313 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 29.4 mtmm -78.02 -7.98 57.59 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.631 -0.668 . . . . 0.0 112.76 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.269 2.33 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 176.496 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mpp? . . . . . 0 N--CA 1.448 -0.525 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.64 -120.63 0.05 OUTLIER 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.495 1.118 . . . . 0.0 109.726 -178.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -64.66 157.67 72.46 Favored Pre-proline 0 CA--C 1.537 0.468 0 O-C-N 121.208 -0.932 . . . . 0.0 110.762 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -43.25 -44.78 10.04 Favored 'Trans proline' 0 CA--C 1.536 0.61 0 C-N-CA 123.733 2.955 . . . . 0.0 113.975 175.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 82.3 mt -56.53 -39.58 73.62 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.27 0.628 . . . . 0.0 111.649 177.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -74.56 -46.96 35.46 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 176.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -50.32 -37.84 38.71 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.534 0.733 . . . . 0.0 111.64 176.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.42 -42.97 71.11 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.829 -0.545 . . . . 0.0 111.797 173.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 25.2 mt -70.42 -43.83 77.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 174.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -40.93 -47.07 4.09 Favored Glycine 0 CA--C 1.527 0.81 0 C-N-CA 125.828 1.68 . . . . 0.0 112.236 170.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -53.25 -57.15 11.52 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.444 0.697 . . . . 0.0 109.271 176.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 78.5 mt -58.18 -47.05 84.63 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 122.861 0.464 . . . . 0.0 110.803 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 66.5 mt -52.16 -49.96 38.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 123.625 0.77 . . . . 0.0 109.918 177.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.92 -63.31 4.7 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 178.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.4 mp -52.65 -47.36 49.91 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.198 0 CA-C-O 117.737 -1.125 . . . . 0.0 111.032 -173.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -40.82 -71.04 0.09 Allowed 'General case' 0 C--N 1.342 0.242 0 CA-C-N 119.214 0.916 . . . . 0.0 109.414 176.069 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -79.18 -24.95 42.86 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 119.972 -0.691 . . . . 0.0 111.304 -169.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.45 -32.56 71.5 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 118.37 -1.332 . . . . 0.0 109.977 170.053 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -86.65 34.83 0.66 Allowed 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.913 1.685 . . . . 0.0 110.742 169.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . 0.415 ' HA ' ' H ' ' B' ' 30' ' ' SER . 95.0 p -122.79 24.94 8.89 Favored 'General case' 0 CA--C 1.529 0.171 0 O-C-N 121.101 -0.999 . . . . 0.0 109.463 165.229 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 137.71 87.25 0.18 Allowed Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 107.328 -2.309 . . . . 0.0 107.328 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -41.99 -54.73 3.41 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 126.23 1.812 . . . . 0.0 109.617 174.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.6 pm0 -35.16 -41.94 0.17 Allowed 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 129.554 3.142 . . . . 0.0 113.923 169.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 131.42 56.86 0.09 OUTLIER Glycine 0 CA--C 1.527 0.787 0 C-N-CA 125.065 1.317 . . . . 0.0 111.425 175.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -120.58 161.14 21.84 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 169.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.06 110.3 6.91 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 126.748 2.019 . . . . 0.0 110.357 -168.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -173.55 -154.44 0.07 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 127.122 2.169 . . . . 0.0 107.225 171.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.89 162.57 6.72 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 125.391 1.476 . . . . 0.0 109.831 169.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 5.7 mp -68.44 91.38 0.4 Allowed 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -168.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.415 ' H ' ' HA ' ' B' ' 20' ' ' SER . 4.5 m -51.81 65.96 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 129.522 3.129 . . . . 0.0 118.091 -170.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 26.9 mttm 53.23 -76.92 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 115.859 1.8 . . . . 0.0 115.859 165.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.13 -36.44 72.95 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 121.916 0.865 . . . . 0.0 109.847 177.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -60.36 -48.97 79.47 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.039 173.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 18.7 tp -64.96 -40.95 95.77 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 -177.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -51.15 -50.16 59.46 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.272 0.629 . . . . 0.0 110.107 170.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -55.59 -49.42 72.8 Favored 'General case' 0 C--N 1.339 0.137 0 CA-C-N 118.585 0.63 . . . . 0.0 111.01 174.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.75 -46.3 74.31 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 124.029 0.932 . . . . 0.0 109.845 -175.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . 0.411 HG22 HD12 ' B' ' 42' ' ' LEU . 1.2 pp -70.78 -36.06 63.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 O-C-N 121.956 -0.465 . . . . 0.0 111.839 177.24 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -56.56 -55.33 35.28 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 121.552 0.691 . . . . 0.0 109.353 176.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -92.28 -92.01 0.16 Allowed 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 126.538 1.935 . . . . 0.0 110.268 -169.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 41.3 mp0 -45.75 -51.89 11.89 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 124.892 1.277 . . . . 0.0 113.221 -171.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.411 HD12 HG22 ' B' ' 38' ' ' ILE . 9.1 mt -74.62 9.05 1.96 Allowed 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 113.731 1.011 . . . . 0.0 113.731 -171.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.17 95.0 1.23 Allowed 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 170.013 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 30.6 mm 69.63 -29.61 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 N-CA-C 115.33 1.604 . . . . 0.0 115.33 168.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.44 -78.94 0.82 Allowed Glycine 0 CA--C 1.525 0.718 0 O-C-N 120.56 -1.338 . . . . 0.0 110.058 -171.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 2.8 m -45.09 -49.54 11.64 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 126.238 1.815 . . . . 0.0 114.164 -168.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.86 -34.88 73.71 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -178.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 2.9 tm? 62.0 -71.14 0.05 OUTLIER 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.558 1.543 . . . . 0.0 113.42 -178.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 16.3 tp60 -36.65 -54.89 0.88 Allowed 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 126.696 1.998 . . . . 0.0 116.359 -167.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.29 172.61 1.06 Allowed 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -169.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . 120.15 -14.04 0.01 OUTLIER 'General case' 0 C--O 1.224 -0.249 0 C-N-CA 129.392 3.077 . . . . 0.0 113.117 169.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -64.13 -52.97 56.55 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-N 119.774 1.17 . . . . 0.0 110.587 -169.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 20.7 tt -55.18 -39.93 53.25 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.752 175.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 12.4 t -67.15 -40.37 85.08 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.329 0 CA-C-O 118.755 -0.641 . . . . 0.0 109.651 178.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -56.69 -32.49 65.49 Favored 'General case' 0 C--O 1.224 -0.258 0 C-N-CA 124.386 1.074 . . . . 0.0 111.007 -176.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 51.8 tp -45.98 -41.87 12.35 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 118.377 0.535 . . . . 0.0 110.823 170.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 66.5 mtt -84.15 -63.55 1.32 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.513 0.725 . . . . 0.0 109.567 172.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.424 ' C ' ' H ' ' B' ' 60' ' ' LEU . 0.3 OUTLIER -58.29 -0.82 0.1 Allowed 'General case' 0 CA--C 1.508 -0.656 0 C-N-CA 130.563 3.545 . . . . 0.0 115.754 -173.128 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.79 26.77 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.211 0 O-C-N 120.918 -1.114 . . . . 0.0 110.936 164.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.424 ' H ' ' C ' ' B' ' 58' ' ' ASP . 60.6 tp -47.26 -32.14 4.34 Favored 'General case' 0 C--N 1.343 0.325 0 O-C-N 118.542 -2.599 . . . . 0.0 110.601 169.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -36.66 -35.69 0.09 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 129.003 2.921 . . . . 0.0 110.544 167.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 11.8 ptp85 -42.16 -42.04 2.87 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.4 1.08 . . . . 0.0 111.965 176.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -43.87 -38.35 3.29 Favored 'General case' 0 C--N 1.34 0.153 0 C-N-CA 126.104 1.762 . . . . 0.0 112.262 178.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.78 54.52 1.5 Allowed 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 46.61 42.02 10.71 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.989 1.315 . . . . 0.0 112.673 172.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 56.25 28.38 13.18 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.865 1.266 . . . . 0.0 112.432 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -148.27 82.34 1.48 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 122.521 1.153 . . . . 0.0 109.077 -172.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 29.3 m -78.44 154.76 5.04 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.697 0 CA-C-N 114.462 -1.245 . . . . 0.0 113.885 -168.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -105.22 171.06 7.52 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 129.081 2.952 . . . . 0.0 107.453 168.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -48.44 -45.25 36.2 Favored 'General case' 0 C--N 1.343 0.285 0 C-N-CA 124.919 1.287 . . . . 0.0 112.854 -169.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -60.76 -55.44 33.15 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 -175.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -65.74 -49.85 66.91 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 -174.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -41.02 -53.85 2.9 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 126.033 1.733 . . . . 0.0 110.234 171.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 6.3 mm -65.04 -60.52 2.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-O 118.665 -0.683 . . . . 0.0 110.718 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 96.7 m -45.32 -48.47 13.16 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 122.687 1.232 . . . . 0.0 109.473 -174.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -56.54 -61.44 2.41 Favored 'General case' 0 N--CA 1.437 -1.077 0 C-N-CA 126.263 1.825 . . . . 0.0 112.42 174.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.0 -39.08 71.34 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 118.438 0.563 . . . . 0.0 110.466 -177.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.56 -51.36 59.29 Favored Glycine 0 CA--C 1.527 0.816 0 C-N-CA 124.847 1.213 . . . . 0.0 112.179 172.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.66 -51.09 64.27 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 117.017 0.409 . . . . 0.0 110.464 178.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.27 -44.58 91.28 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 120.49 0.186 . . . . 0.0 110.535 178.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.13 -47.63 68.52 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 124.063 0.945 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 63.8 mtm -55.41 -19.61 9.73 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 175.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 35.5 mm -89.15 -66.46 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-N 119.605 1.093 . . . . 0.0 109.428 173.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -83.47 -37.18 23.47 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 -169.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -90.81 27.38 1.8 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.992 1.717 . . . . 0.0 111.759 -169.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -46.08 159.1 0.08 Allowed 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 123.727 1.727 . . . . 0.0 115.131 -171.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . 120.8 34.95 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.535 1 C-N-CA 133.652 4.781 . . . . 0.0 105.804 -166.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.511 HD21 HG12 ' A' ' 13' ' ' ILE . 57.9 mt -133.2 -46.19 0.84 Allowed 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 127.551 2.341 . . . . 0.0 109.014 -167.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 14.1 mtmm -109.54 -59.79 1.86 Allowed 'General case' 0 CA--C 1.521 -0.152 0 N-CA-C 107.351 -1.351 . . . . 0.0 107.351 171.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.361 0 N-CA-C 110.247 -1.141 . . . . 0.0 110.247 168.311 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.5 ttp . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.655 -0.128 . . . . 0.0 110.655 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -135.69 -140.61 0.17 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.153 0.981 . . . . 0.0 109.587 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.7 p -74.33 162.22 74.74 Favored Pre-proline 0 CA--C 1.533 0.321 0 CA-C-N 119.792 1.178 . . . . 0.0 110.676 -170.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -49.7 -36.27 41.0 Favored 'Trans proline' 0 N--CA 1.454 -0.828 0 C-N-CA 122.324 2.016 . . . . 0.0 112.043 168.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.434 ' H ' HD12 ' A' ' 5' ' ' LEU . 5.7 mp -64.14 -47.94 77.95 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 177.066 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -57.24 -53.02 62.8 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 178.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.8 mm100 -52.53 -50.37 62.99 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 177.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.16 -61.0 2.69 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 119.135 -0.46 . . . . 0.0 111.059 -179.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 40.5 mm -53.59 -47.93 59.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-N 118.776 0.716 . . . . 0.0 110.417 -178.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.39 -50.91 28.43 Favored Glycine 0 CA--C 1.528 0.89 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 173.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 46.6 mt -62.23 -43.17 99.44 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 117.967 -1.016 . . . . 0.0 111.287 178.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.4 mt -58.16 -46.98 84.77 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 120.463 1.483 . . . . 0.0 110.153 -175.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 83.0 mt -68.33 -50.39 57.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 124.252 1.021 . . . . 0.0 109.986 177.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.09 -53.07 47.93 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 124.078 0.846 . . . . 0.0 112.088 -173.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.0 tt -65.48 -30.34 49.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 O-C-N 121.928 -0.748 . . . . 0.0 111.051 -174.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -44.65 -65.76 0.48 Allowed 'General case' 0 C--O 1.225 -0.234 0 C-N-CA 123.901 0.88 . . . . 0.0 113.091 -169.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -79.61 -8.21 59.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 118.856 -0.592 . . . . 0.0 111.759 178.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 tpmp? -71.12 -54.11 12.22 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 174.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -76.54 88.21 3.26 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 106.288 -1.745 . . . . 0.0 106.288 176.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.3 p 174.82 -35.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 128.892 2.877 . . . . 0.0 106.335 -169.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 134.67 -71.09 0.5 Allowed Glycine 0 C--N 1.341 0.806 0 N-CA-C 110.048 -1.221 . . . . 0.0 110.048 178.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.25 115.24 5.34 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.025 0.93 . . . . 0.0 108.723 -169.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.88 -35.34 2.76 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 126.606 1.962 . . . . 0.0 115.358 -169.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.67 -71.57 0.69 Allowed Glycine 0 CA--C 1.528 0.851 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 -174.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.6 p30 -91.68 -55.1 3.61 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 125.699 1.599 . . . . 0.0 110.465 -172.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -76.53 141.34 41.24 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 123.613 0.765 . . . . 0.0 110.21 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -142.93 -46.06 0.31 Allowed 'General case' 0 C--O 1.225 -0.2 0 C-N-CA 124.565 1.146 . . . . 0.0 109.99 -176.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.31 142.43 55.53 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 125.18 1.392 . . . . 0.0 112.064 -175.181 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.0 mt -67.75 82.67 0.19 Allowed 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 125.708 1.603 . . . . 0.0 109.416 -177.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.1 m -69.59 77.72 0.42 Allowed 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 125.205 1.402 . . . . 0.0 112.83 -169.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.284 0.1 OUTLIER 50.08 -72.68 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 128.68 2.792 . . . . 0.0 114.953 170.042 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.74 -25.7 68.04 Favored 'General case' 0 N--CA 1.453 -0.285 0 O-C-N 121.277 -0.889 . . . . 0.0 109.851 175.258 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -72.73 -46.25 54.51 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -56.62 -52.02 66.46 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 173.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.07 -38.54 57.52 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.784 0.834 . . . . 0.0 111.542 176.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -62.65 -59.39 4.97 Favored 'General case' 0 C--O 1.232 0.156 0 O-C-N 121.046 -1.034 . . . . 0.0 109.875 175.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.86 -55.42 14.36 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 124.542 1.137 . . . . 0.0 111.119 -175.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.8 tt -66.0 -44.9 92.04 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.534 -175.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -69.6 -47.13 64.56 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 -174.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -90.68 -53.13 4.54 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -169.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -91.0 -54.34 4.0 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 -165.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.0 mt -49.91 -75.88 0.03 OUTLIER 'General case' 0 C--O 1.233 0.208 0 N-CA-C 116.469 2.026 . . . . 0.0 116.469 -165.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 66.2 p -53.29 -18.89 2.74 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 116.032 1.864 . . . . 0.0 116.032 -166.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 23.8 pt -97.4 -6.39 9.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -175.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -46.49 117.2 2.71 Favored Glycine 0 CA--C 1.535 1.282 0 CA-C-N 119.348 0.976 . . . . 0.0 111.043 179.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.763 ' OG ' ' OXT' ' A' ' 90' ' ' GLY . 17.2 m 67.99 -58.37 0.45 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.244 1.817 . . . . 0.0 112.876 -171.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -58.66 -40.89 84.77 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 125.993 1.717 . . . . 0.0 114.171 -169.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.2 mt 53.19 -138.19 1.15 Allowed 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 105.686 -1.968 . . . . 0.0 105.686 -164.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 36.45 58.8 1.02 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.522 1.529 . . . . 0.0 113.614 166.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -91.67 179.91 5.52 Favored 'General case' 0 N--CA 1.461 0.095 0 O-C-N 122.347 -0.221 . . . . 0.0 110.787 -177.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -158.13 154.52 27.58 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.316 0.646 . . . . 0.0 109.345 178.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -49.14 -45.82 44.31 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.586 0.754 . . . . 0.0 110.663 177.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 37.1 pt -60.73 -38.11 77.83 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.737 0 C-N-CA 123.763 0.825 . . . . 0.0 111.706 176.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 97.4 t -68.55 -45.9 81.02 Favored 'Isoleucine or valine' 0 C--N 1.34 0.191 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -39.9 94.47 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.082 179.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.5 tp -58.63 -47.33 84.73 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 123.16 0.584 . . . . 0.0 109.966 175.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 44.3 tpp -58.64 -51.89 67.99 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 121.088 0.47 . . . . 0.0 110.255 177.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.88 -33.82 57.58 Favored 'General case' 0 C--N 1.333 -0.109 0 C-N-CA 123.801 0.84 . . . . 0.0 112.079 173.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.06 5.96 0.45 Allowed 'General case' 0 C--O 1.22 -0.484 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 175.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 60.9 tp -54.23 -21.23 8.5 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 119.702 -1.874 . . . . 0.0 111.112 167.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -60.34 -16.23 33.06 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 169.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . 0.253 0.0 OUTLIER -29.03 -27.6 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 129.136 2.974 . . . . 0.0 117.921 -168.646 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -44.12 -44.81 7.85 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 116.907 -1.521 . . . . 0.0 111.007 168.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.0 mttp 32.81 58.8 0.43 Allowed 'General case' 0 CA--C 1.535 0.391 0 O-C-N 124.614 1.196 . . . . 0.0 110.161 169.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.25 29.31 0.05 Allowed 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 125.606 1.562 . . . . 0.0 114.64 -165.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 63.37 153.24 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 128.201 2.6 . . . . 0.0 112.236 -175.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 37.46 49.98 1.04 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.853 1.661 . . . . 0.0 112.412 173.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 32.9 m -74.96 157.34 6.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-O 121.328 0.585 . . . . 0.0 110.721 -171.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -106.94 168.75 8.98 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.022 1.729 . . . . 0.0 110.834 -169.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -56.48 -37.27 70.13 Favored 'General case' 0 C--O 1.219 -0.542 0 C-N-CA 123.747 0.819 . . . . 0.0 111.697 -173.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.57 -57.03 14.12 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 119.513 1.052 . . . . 0.0 110.174 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -54.95 -59.99 3.98 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 -177.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -45.57 -60.74 2.02 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 126.087 1.755 . . . . 0.0 111.087 177.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 8.0 tp -68.87 -37.36 77.26 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.229 0 C-N-CA 123.768 0.827 . . . . 0.0 110.744 -170.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 56.9 m -63.54 -48.94 75.45 Favored 'General case' 0 CA--C 1.528 0.101 0 CA-C-N 118.603 0.638 . . . . 0.0 109.448 178.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -52.11 -56.73 12.58 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.481 0.712 . . . . 0.0 110.737 171.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.43 -37.88 27.28 Favored 'General case' 0 C--O 1.222 -0.392 0 C-N-CA 124.208 1.003 . . . . 0.0 111.436 174.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.4 -51.79 20.53 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.46 -1.056 . . . . 0.0 110.46 174.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.31 -55.97 25.71 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 117.781 0.791 . . . . 0.0 110.316 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 65.9 mt -51.88 -49.71 62.45 Favored 'General case' 0 C--O 1.223 -0.29 0 C-N-CA 123.31 0.644 . . . . 0.0 110.166 -176.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.43 ' HB1' ' CD2' ' A' ' 88' ' ' LEU . . . -73.2 -45.06 58.51 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 125.295 1.438 . . . . 0.0 111.372 -172.058 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -49.69 -53.11 26.41 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 173.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 92.6 mt -68.36 -58.04 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 O-C-N 124.594 1.184 . . . . 0.0 109.876 -175.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.415 ' CE1' ' HA ' ' A' ' 81' ' ' ALA 0.401 0.0 OUTLIER -71.61 -18.94 62.18 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 -169.377 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 -90.98 -100.57 0.11 Allowed 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 104.293 -2.484 . . . . 0.0 104.293 166.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 178.35 84.0 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.249 0 C-N-CA 129.254 3.022 . . . . 0.0 103.293 166.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 53.2 58.0 5.7 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 107.267 -1.382 . . . . 0.0 107.267 -167.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.43 ' CD2' ' HB1' ' A' ' 81' ' ' ALA 0.253 7.2 mt 55.33 4.29 0.09 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.358 1.863 . . . . 0.0 115.562 -174.133 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 32.9 mtmm -76.38 78.74 3.12 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 121.747 2.067 . . . . 0.0 109.985 175.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.763 ' OXT' ' OG ' ' A' ' 46' ' ' SER . . . . . . . . 0 C--O 1.269 2.336 0 N-CA-C 109.848 -1.301 . . . . 0.0 109.848 -178.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 86.6 mmm . . . . . 0 CA--C 1.534 0.337 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 73.83 41.96 0.4 Allowed 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 126.605 1.962 . . . . 0.0 108.649 -169.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.73 173.44 4.75 Favored Pre-proline 0 CA--C 1.534 0.36 0 C-N-CA 125.257 1.423 . . . . 0.0 108.367 177.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_exo -51.39 -52.79 8.28 Favored 'Trans proline' 0 N--CA 1.454 -0.813 0 C-N-CA 122.756 2.304 . . . . 0.0 113.959 -174.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 83.1 mt -69.09 -51.27 40.42 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 122.17 -0.331 . . . . 0.0 110.938 -172.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.84 -48.46 78.0 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.387 0.675 . . . . 0.0 110.727 175.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 13.3 tp60 -56.89 -44.32 82.17 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 122.016 -0.427 . . . . 0.0 110.559 175.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.81 -50.65 72.61 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 118.374 0.534 . . . . 0.0 110.866 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 22.3 mt -58.36 -46.45 89.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 177.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.3 -50.26 47.57 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.301 -0.719 . . . . 0.0 111.301 175.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 47.9 tp -63.33 -55.91 20.76 Favored 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 121.768 -0.843 . . . . 0.0 110.263 -178.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 85.7 mt -63.59 -69.15 0.29 Allowed 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 -178.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 4.1 mm -90.54 -24.5 5.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-O 118.148 -0.929 . . . . 0.0 112.798 -169.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.23 -50.7 43.33 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 108.782 -1.727 . . . . 0.0 108.782 -179.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 32.2 mt -61.72 -50.22 81.14 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 C-N-CA 122.646 0.378 . . . . 0.0 111.363 175.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -28.94 -76.17 0.02 OUTLIER 'General case' 0 C--N 1.341 0.204 0 C-N-CA 126.325 1.85 . . . . 0.0 114.234 -166.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -76.16 -17.9 59.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.409 -172.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm -67.55 -35.56 79.29 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 118.765 0.711 . . . . 0.0 110.225 -173.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -74.88 72.72 2.09 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-O 123.142 1.449 . . . . 0.0 108.609 175.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 7.0 t -175.72 -31.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 128.005 2.522 . . . . 0.0 108.248 -168.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.23 -64.8 2.76 Favored Glycine 0 C--N 1.34 0.762 0 N-CA-C 108.68 -1.768 . . . . 0.0 108.68 -173.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.411 ' HZ3' ' HB3' ' B' ' 22' ' ' LYS . 9.0 mtpm? -80.18 59.53 3.37 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 123.588 0.755 . . . . 0.0 109.788 177.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -59.11 -36.17 74.7 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -177.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -39.43 -69.64 0.4 Allowed Glycine 0 CA--C 1.527 0.832 0 C-N-CA 126.29 1.9 . . . . 0.0 112.401 177.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 33.1 p-10 -91.89 -56.25 3.16 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 117.919 0.859 . . . . 0.0 110.131 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 21.7 ttpp -75.16 71.51 2.2 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 121.823 0.821 . . . . 0.0 108.869 178.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -53.62 -33.5 55.27 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.26 0.624 . . . . 0.0 110.831 170.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 5.3 p -74.43 148.08 41.45 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.372 1.069 . . . . 0.0 111.788 -177.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.465 ' N ' HD12 ' B' ' 29' ' ' LEU . 2.0 mp -85.54 138.72 32.01 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 104.912 -2.255 . . . . 0.0 104.912 169.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.31 165.59 20.22 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 119.095 -1.042 . . . . 0.0 108.915 170.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.518 ' HZ2' ' CG ' ' B' ' 61' ' ' ASP . 31.3 mttm -75.84 62.52 1.57 Allowed 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 121.958 0.885 . . . . 0.0 110.191 178.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -163.31 -58.36 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 126.942 2.097 . . . . 0.0 105.411 -175.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -56.23 -45.38 79.97 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 169.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 53.4 tp -56.91 -43.08 81.01 Favored 'General case' 0 C--N 1.343 0.322 0 C-N-CA 120.649 -0.42 . . . . 0.0 111.194 -179.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.25 -29.43 9.55 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.457 0.703 . . . . 0.0 111.847 178.511 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -82.5 -59.61 2.47 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 118.631 0.651 . . . . 0.0 109.987 178.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 tt -42.1 -53.6 3.9 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 125.302 1.441 . . . . 0.0 111.017 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 13.4 tt -61.21 -24.61 33.83 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.671 0 CA-C-N 114.779 -1.1 . . . . 0.0 112.481 -169.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -84.46 -59.87 2.25 Favored 'General case' 0 N--CA 1.45 -0.462 0 O-C-N 121.627 -0.67 . . . . 0.0 110.902 -177.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 13.2 mtmm -93.13 -61.88 1.49 Allowed 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 121.422 0.63 . . . . 0.0 112.416 -171.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 39.0 mp0 -55.61 -21.71 18.98 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 126.924 2.089 . . . . 0.0 116.026 -166.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 68.6 mt -65.13 27.01 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 116.699 2.111 . . . . 0.0 116.699 -176.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 39.6 m 69.49 -80.61 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.159 0 O-C-N 120.44 -1.413 . . . . 0.0 112.125 168.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 20.6 tt -59.51 -41.36 84.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 169.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -54.48 -24.24 30.38 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.955 174.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 4.3 m -72.64 -9.83 59.07 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 117.982 0.891 . . . . 0.0 112.111 -178.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 3.6 ttpm? -58.74 -47.87 83.14 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 168.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 2.0 tp 69.55 165.45 0.27 Allowed 'General case' 0 C--O 1.235 0.323 0 C-N-CA 124.104 0.962 . . . . 0.0 108.48 -173.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 53.53 51.45 15.2 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 -167.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -108.64 -55.06 2.44 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 126.803 2.041 . . . . 0.0 107.156 -177.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . 158.84 62.84 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 128.549 2.74 . . . . 0.0 107.731 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -54.12 -31.52 52.38 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.12 0.968 . . . . 0.0 113.306 -169.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 38.5 mm -67.23 -43.6 88.16 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 C-N-CA 123.521 0.729 . . . . 0.0 110.444 174.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 58.5 t -68.2 -46.16 81.66 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.2 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 178.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -48.95 -51.52 29.87 Favored 'General case' 0 C--O 1.225 -0.226 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 172.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 35.2 tp -55.5 -50.81 68.96 Favored 'General case' 0 C--O 1.223 -0.321 0 O-C-N 121.904 -0.497 . . . . 0.0 110.772 174.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 26.9 ttt -56.38 -27.41 56.1 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.48 ' C ' ' H ' ' B' ' 60' ' ' LEU . 73.9 m-20 -73.93 6.69 3.12 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 174.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -64.24 26.41 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.569 1.148 . . . . 0.0 111.078 163.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.48 ' H ' ' C ' ' B' ' 58' ' ' ASP . 3.4 pp -41.54 -27.42 0.09 Allowed 'General case' 0 C--N 1.345 0.405 0 C-N-CA 130.891 3.676 . . . . 0.0 114.604 -169.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.518 ' CG ' ' HZ2' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -44.44 -24.17 0.16 Allowed 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.998 1.319 . . . . 0.0 111.58 166.657 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 25.2 ttp85 -47.94 -13.16 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 127.585 2.354 . . . . 0.0 112.994 169.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -31.79 -44.45 0.08 Allowed 'General case' 0 C--N 1.343 0.299 0 C-N-CA 126.479 1.912 . . . . 0.0 110.834 165.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 106.99 -29.06 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 129.896 3.278 . . . . 0.0 110.848 173.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.3 9.93 3.46 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.281 1.432 . . . . 0.0 112.063 -168.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -156.42 163.44 39.45 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 125.729 1.611 . . . . 0.0 107.607 -178.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -121.1 151.3 40.02 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 168.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 6.7 t -63.03 102.27 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.186 0 O-C-N 123.668 0.605 . . . . 0.0 110.627 -167.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -100.34 -179.26 4.06 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 169.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -55.09 -39.66 69.55 Favored 'General case' 0 N--CA 1.449 -0.504 0 O-C-N 121.941 -0.474 . . . . 0.0 110.84 -176.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -55.59 -57.51 11.65 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 118.298 0.499 . . . . 0.0 111.803 175.076 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 57.1 mp0 -56.41 -54.42 45.83 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 -177.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -47.23 -52.24 16.51 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.349 1.06 . . . . 0.0 110.656 176.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 2.6 mm -55.15 -46.59 77.69 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.426 0 CA-C-O 117.334 -1.317 . . . . 0.0 110.88 -175.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 3.6 m -30.78 -61.02 0.19 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.603 1.161 . . . . 0.0 113.803 -169.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.15 -43.48 64.58 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 119.018 -0.515 . . . . 0.0 111.808 -179.432 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 4.5 mp -51.34 -47.92 62.58 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-N 119.004 0.82 . . . . 0.0 110.294 174.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.77 -57.3 20.51 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 177.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.81 -45.34 59.39 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.128 0.571 . . . . 0.0 112.044 -178.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 61.3 mt -81.27 -39.97 24.43 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.212 0.605 . . . . 0.0 110.897 -176.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.19 -36.08 67.98 Favored 'General case' 0 CA--C 1.521 -0.154 0 C-N-CA 125.251 1.421 . . . . 0.0 110.847 176.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.27 -43.15 1.09 Allowed 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.989 0.916 . . . . 0.0 110.1 169.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.9 mp -89.72 -70.23 0.56 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 C-N-CA 124.07 0.948 . . . . 0.0 109.669 173.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -60.94 -25.54 66.86 Favored 'General case' 0 C--N 1.341 0.213 0 N-CA-C 116.188 1.921 . . . . 0.0 116.188 -165.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -60.29 -59.25 5.71 Favored 'General case' 0 C--O 1.226 -0.146 0 CA-C-N 119.498 1.045 . . . . 0.0 110.108 -172.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -177.61 39.32 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 127.132 2.173 . . . . 0.0 108.151 175.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . 49.04 33.87 5.12 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.388 -0.82 . . . . 0.0 109.58 -166.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 61.9 mt 51.88 30.95 7.69 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 126.882 2.073 . . . . 0.0 114.425 -172.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 2.4 mtmp? -96.87 -84.03 0.37 Allowed 'General case' 0 C--N 1.341 0.208 0 CA-C-N 119.78 1.173 . . . . 0.0 109.39 173.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.429 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -174.713 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.603 0.239 . . . . 0.0 111.629 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.27 48.81 1.05 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.884 0.873 . . . . 0.0 111.919 -173.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -172.56 131.1 0.64 Allowed Pre-proline 0 CA--C 1.532 0.285 0 C-N-CA 126.394 1.878 . . . . 0.0 106.71 175.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -44.71 -54.13 4.42 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 123.65 2.9 . . . . 0.0 114.258 -176.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 80.0 mt -62.5 -48.14 80.89 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 122.055 -0.403 . . . . 0.0 110.789 -177.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -59.76 -39.12 83.76 Favored 'General case' 0 C--O 1.223 -0.304 0 C-N-CA 122.675 0.39 . . . . 0.0 110.448 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -65.22 -46.65 79.79 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.475 0.71 . . . . 0.0 110.578 175.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.03 -61.95 2.18 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.986 0.914 . . . . 0.0 110.318 -178.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 65.4 mt -58.39 -37.01 61.26 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 174.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.71 -35.11 11.31 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-O 118.001 -1.444 . . . . 0.0 113.414 171.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 22.5 mt -58.59 -34.59 71.27 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 120.556 2.178 . . . . 0.0 111.71 175.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mp -63.56 -58.23 7.63 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.585 0.63 . . . . 0.0 109.665 -175.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.3 mt -68.51 -29.71 44.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-N 118.414 0.552 . . . . 0.0 110.839 173.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.93 -62.88 5.73 Favored Glycine 0 C--O 1.222 -0.602 0 C-N-CA 124.822 1.201 . . . . 0.0 111.223 -178.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 65.8 mt -52.38 -45.88 45.75 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-N 118.01 0.905 . . . . 0.0 109.961 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -49.49 -73.99 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.582 1.153 . . . . 0.0 110.883 171.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -79.52 0.02 31.46 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 116.021 1.86 . . . . 0.0 116.021 -172.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.6 tttt -51.91 -53.84 36.27 Favored 'General case' 0 CA--C 1.527 0.085 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 167.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -68.09 -27.19 66.28 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.498 -0.774 . . . . 0.0 112.022 -176.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.4 m -74.4 -5.54 42.98 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 118.896 -0.573 . . . . 0.0 112.439 170.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.19 -38.61 26.05 Favored Glycine 0 CA--C 1.528 0.905 0 CA-C-N 119.335 0.97 . . . . 0.0 112.42 -174.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.3 pttm -59.25 -31.16 68.82 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 177.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -89.45 -32.31 17.29 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 123.191 0.596 . . . . 0.0 111.393 169.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.21 -45.52 2.57 Favored Glycine 0 CA--C 1.531 1.037 0 C-N-CA 124.829 1.204 . . . . 0.0 111.426 -171.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -50.42 152.54 1.83 Allowed 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 115.281 1.585 . . . . 0.0 115.281 -170.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.56 -12.61 10.44 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 127.024 2.13 . . . . 0.0 115.349 178.11 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.473 ' CG ' ' H ' ' A' ' 28' ' ' THR . 1.9 p80 -58.14 -90.26 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 117.062 2.245 . . . . 0.0 117.062 -169.045 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.473 ' H ' ' CG ' ' A' ' 27' ' ' HIS . 9.6 p -153.75 171.55 18.7 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 126.273 1.829 . . . . 0.0 107.162 -165.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.1 pp -103.84 142.02 35.11 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 104.589 -2.375 . . . . 0.0 104.589 165.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 97.2 p -83.99 46.57 1.2 Allowed 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.117 -0.989 . . . . 0.0 113.282 -165.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.318 0.0 OUTLIER 64.2 -48.19 0.29 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 127.672 2.389 . . . . 0.0 116.913 173.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.08 -47.24 83.81 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 120.784 1.629 . . . . 0.0 109.012 -176.188 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -51.55 -29.26 16.36 Favored 'General case' 0 N--CA 1.44 -0.946 0 C-N-CA 125.178 1.391 . . . . 0.0 112.174 175.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.69 -37.09 77.87 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.454 -0.779 . . . . 0.0 109.893 176.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 43.1 mmtt -66.27 -15.83 63.53 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.618 -0.676 . . . . 0.0 112.46 175.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -90.64 -43.73 9.97 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 122.143 0.973 . . . . 0.0 110.267 174.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.7 tt -49.36 -54.98 14.51 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.409 1.884 . . . . 0.0 110.399 172.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 15.0 tt -55.42 -46.14 78.47 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 O-C-N 121.682 -0.636 . . . . 0.0 111.935 -176.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.9 mm100 -58.82 -57.65 12.1 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 122.552 0.341 . . . . 0.0 111.147 -172.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.9 mtmm -91.55 -64.74 1.08 Allowed 'General case' 0 N--CA 1.457 -0.125 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 -174.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.2 mp0 -60.65 -44.86 95.93 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 118.583 -0.723 . . . . 0.0 111.809 -171.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.3 mt -79.66 14.96 1.48 Allowed 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.695 1.134 . . . . 0.0 113.076 174.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m 72.0 -70.06 0.17 Allowed 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 125.187 1.395 . . . . 0.0 114.406 167.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 34.4 mt 68.62 -56.7 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 128.982 2.913 . . . . 0.0 109.991 -169.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 49.34 -103.01 0.07 OUTLIER Glycine 0 CA--C 1.528 0.865 0 C-N-CA 126.83 2.157 . . . . 0.0 112.528 175.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.1 p -64.76 -33.0 74.94 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 124.273 1.029 . . . . 0.0 111.186 -178.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -82.68 48.43 1.32 Allowed 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.046 0.539 . . . . 0.0 111.147 -169.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.52 44.97 0.46 Allowed 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 123.768 0.827 . . . . 0.0 113.115 -173.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -178.66 -60.44 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 126.804 2.042 . . . . 0.0 107.102 177.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.0 t0 55.58 172.57 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 128.036 2.535 . . . . 0.0 114.617 175.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.42 155.18 31.99 Favored 'General case' 0 CA--C 1.527 0.071 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -174.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -59.69 -38.36 81.35 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.639 1.176 . . . . 0.0 110.711 -177.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 46.0 pt -52.39 -35.42 20.03 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.783 0 O-C-N 122.1 -0.375 . . . . 0.0 110.881 169.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.5 t -73.92 -39.28 51.38 Favored 'Isoleucine or valine' 0 C--N 1.339 0.132 0 O-C-N 121.574 -0.704 . . . . 0.0 110.649 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -55.37 -41.59 72.8 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 120.091 -0.643 . . . . 0.0 109.789 169.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.73 -44.69 96.42 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 118.919 -0.562 . . . . 0.0 111.686 173.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 30.8 mmt -54.78 -55.32 31.35 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 119.286 0.948 . . . . 0.0 110.498 176.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -48.38 -58.6 4.37 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.964 0.888 . . . . 0.0 110.401 173.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.3 5.39 1.74 Allowed 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 118.466 -1.293 . . . . 0.0 112.997 -172.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 43.6 tp -56.69 -20.33 21.19 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 120.369 -1.457 . . . . 0.0 109.457 166.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -48.17 -26.69 2.01 Favored 'General case' 0 C--N 1.345 0.391 0 C-N-CA 124.073 0.949 . . . . 0.0 112.723 168.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.31 -21.34 14.43 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.291 1.436 . . . . 0.0 112.953 174.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -27.66 -75.71 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 126.663 1.985 . . . . 0.0 115.953 -169.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.92 43.5 2.26 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 119.606 1.094 . . . . 0.0 108.16 168.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.9 t0 8.79 53.74 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 130.706 3.602 . . . . 0.0 115.954 -168.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 173.18 175.48 0.11 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 128.528 2.731 . . . . 0.0 106.05 175.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 33.92 78.03 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 126.895 2.078 . . . . 0.0 113.173 169.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.1 m -91.17 127.84 43.32 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 174.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -93.66 171.03 9.14 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 126.987 2.115 . . . . 0.0 109.834 -179.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -51.83 -48.49 63.91 Favored 'General case' 0 C--O 1.217 -0.623 0 C-N-CA 123.716 0.806 . . . . 0.0 110.915 -175.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.65 -51.0 30.54 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.721 0.808 . . . . 0.0 111.748 177.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -60.4 -58.79 6.98 Favored 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 121.689 -0.632 . . . . 0.0 109.612 177.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -51.41 -44.18 62.17 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.378 1.071 . . . . 0.0 112.113 -177.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 8.7 tp -78.3 -39.8 24.67 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 O-C-N 121.418 -0.801 . . . . 0.0 108.847 -173.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 42.9 m -50.58 -47.77 57.9 Favored 'General case' 0 C--N 1.345 0.371 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 169.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -50.16 -67.52 0.25 Allowed 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 124.828 1.251 . . . . 0.0 110.968 175.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -38.87 -48.41 1.55 Allowed 'General case' 0 C--O 1.223 -0.303 0 C-N-CA 124.716 1.206 . . . . 0.0 111.863 171.246 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.49 -56.41 23.72 Favored Glycine 0 CA--C 1.525 0.698 0 C-N-CA 124.63 1.11 . . . . 0.0 111.457 178.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.39 -56.54 20.23 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -178.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -53.9 -49.74 67.92 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 122.978 0.511 . . . . 0.0 110.204 -177.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.71 -53.15 42.42 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-N 118.723 0.692 . . . . 0.0 111.255 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 71.0 mtp -55.32 -29.58 58.56 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 118.438 0.563 . . . . 0.0 112.413 177.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 71.8 mt -91.17 -38.08 10.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 C-N-CA 125.616 1.567 . . . . 0.0 112.486 -169.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 14.6 p90 -93.85 -48.63 6.2 Favored 'General case' 0 C--N 1.341 0.211 0 C-N-CA 124.134 0.974 . . . . 0.0 113.007 174.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -78.36 27.39 0.2 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.299 1.439 . . . . 0.0 113.005 -170.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.421 ' CD ' ' HZ1' ' A' ' 89' ' ' LYS . 22.0 tp10 -19.73 91.59 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 129.438 3.095 . . . . 0.0 113.616 -177.298 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -179.2 -46.87 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 126.0 1.72 . . . . 0.0 108.734 -173.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.616 ' H ' HD12 ' A' ' 88' ' ' LEU . 5.9 mp -50.6 -37.13 38.36 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.331 1.052 . . . . 0.0 110.068 172.246 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.421 ' HZ1' ' CD ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -149.83 142.69 24.75 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 104.305 -2.48 . . . . 0.0 104.305 169.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.366 0 N-CA-C 110.372 -1.091 . . . . 0.0 110.372 175.547 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.0 ppp? . . . . . 0 N--CA 1.451 -0.407 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 59.33 25.73 14.45 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.742 1.217 . . . . 0.0 111.833 -169.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 54.7 p -80.9 179.53 1.87 Allowed Pre-proline 0 CA--C 1.538 0.514 0 C-N-CA 126.518 1.927 . . . . 0.0 108.414 175.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_exo -47.99 129.59 18.45 Favored 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 122.354 2.036 . . . . 0.0 113.134 -174.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 37.9 mt 74.35 -50.31 0.68 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 127.513 2.325 . . . . 0.0 112.113 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.97 -32.49 33.73 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.197 0.999 . . . . 0.0 110.241 171.16 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -44.28 -23.8 0.13 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.166 1.787 . . . . 0.0 114.763 169.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.43 -51.1 64.87 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 120.802 1.637 . . . . 0.0 110.764 169.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . 0.43 HD12 ' H ' ' B' ' 9' ' ' ILE . 4.5 mp -60.23 -47.08 93.6 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 173.435 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -44.8 -49.19 9.05 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 124.309 0.957 . . . . 0.0 112.147 172.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 63.1 tp -62.72 -47.97 81.27 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 117.93 0.865 . . . . 0.0 110.215 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 96.1 mt -57.06 -44.7 83.26 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 118.412 0.551 . . . . 0.0 111.104 177.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 94.4 mt -60.25 -42.5 90.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 123.278 0.631 . . . . 0.0 109.842 174.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.37 -61.3 7.37 Favored Glycine 0 CA--C 1.524 0.613 0 C-N-CA 124.655 1.122 . . . . 0.0 110.54 176.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 35.8 mm -53.11 -52.81 26.55 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 CA-C-N 117.786 0.793 . . . . 0.0 109.716 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -42.21 -65.44 0.46 Allowed 'General case' 0 C--N 1.339 0.146 0 C-N-CA 123.693 0.797 . . . . 0.0 110.87 172.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . 0.4 1.1 m-70 -79.53 3.27 19.28 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 115.559 1.688 . . . . 0.0 115.559 -177.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.33 -32.49 62.83 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 106.037 -1.838 . . . . 0.0 106.037 163.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -102.28 42.0 1.18 Allowed 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 126.417 1.887 . . . . 0.0 109.925 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 57.3 m -67.59 -14.89 63.33 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 116.409 2.003 . . . . 0.0 116.409 -172.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.41 68.31 0.74 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 105.038 -3.225 . . . . 0.0 105.038 -165.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 26.2 mtmm -56.46 -51.01 70.06 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 125.592 1.557 . . . . 0.0 113.07 -168.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.4 ' OE1' ' NZ ' ' B' ' 32' ' ' LYS . 0.0 OUTLIER -106.07 -58.53 1.9 Allowed 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 127.002 2.121 . . . . 0.0 110.138 -167.389 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.54 -72.79 0.52 Allowed Glycine 0 CA--C 1.528 0.863 0 C-N-CA 124.617 1.103 . . . . 0.0 111.635 -172.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -163.8 152.08 13.26 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 107.032 -1.469 . . . . 0.0 107.032 169.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.71 115.82 31.16 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.521 1.528 . . . . 0.0 112.613 -166.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 1.1 p80 179.33 -36.06 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.337 1.055 . . . . 0.0 113.569 174.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 3.1 p -136.14 170.76 15.5 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 -169.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 11.9 mt -73.35 73.94 1.35 Allowed 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.085 -1.079 . . . . 0.0 108.085 169.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 47.1 m -67.99 72.34 0.17 Allowed 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.771 1.228 . . . . 0.0 113.165 -174.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 21.8 mttm 67.51 -70.25 0.12 Allowed 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 127.211 2.204 . . . . 0.0 113.476 168.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.498 ' H ' ' HD3' ' B' ' 32' ' ' LYS . 0.0 OUTLIER -62.67 -50.53 70.82 Favored 'General case' 0 C--O 1.226 -0.181 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 -174.534 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 0.441 ' CD ' ' H ' ' B' ' 33' ' ' GLU . 0.4 OUTLIER -47.6 -44.06 26.23 Favored 'General case' 0 N--CA 1.462 0.136 0 C-N-CA 125.484 1.513 . . . . 0.0 110.821 172.183 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.4 -45.97 85.3 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 -179.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 39.9 mmtt -66.64 -30.15 70.35 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 120.864 -1.148 . . . . 0.0 112.363 176.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -50.5 -43.35 55.6 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.086 1.754 . . . . 0.0 108.577 168.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.35 -58.86 4.02 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.301 1.441 . . . . 0.0 111.321 171.224 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . 0.255 1.4 pt -56.49 -46.02 82.19 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.561 0 CA-C-N 118.356 0.525 . . . . 0.0 112.409 -168.304 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -68.92 -40.68 78.91 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 118.51 -1.276 . . . . 0.0 109.715 -169.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -92.83 -86.77 0.24 Allowed 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 -172.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 37.1 mp0 -78.11 -27.81 48.44 Favored 'General case' 0 C--N 1.341 0.199 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 -165.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -29.22 -61.85 0.13 Allowed 'General case' 0 C--N 1.34 0.18 0 N-CA-C 117.218 2.303 . . . . 0.0 117.218 -168.335 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 12.3 t -151.48 129.98 12.18 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 -166.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 6.0 pt -140.19 -112.3 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 N-CA-C 106.876 -1.527 . . . . 0.0 106.876 169.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 34.52 -118.52 0.27 Allowed Glycine 0 CA--C 1.528 0.887 0 C-N-CA 125.365 1.46 . . . . 0.0 112.363 177.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 22.7 m -100.72 26.77 6.46 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -174.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 4.5 tmtp? -62.38 -39.29 92.7 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 169.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 58.4 tp 63.93 -78.13 0.03 OUTLIER 'General case' 0 C--N 1.34 0.166 0 C-N-CA 126.574 1.95 . . . . 0.0 110.916 172.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 18.0 tp60 -82.55 66.97 8.41 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 176.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -87.53 -136.15 0.09 Allowed 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 167.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . 97.21 147.42 0.02 OUTLIER 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 128.643 2.777 . . . . 0.0 108.525 -169.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -52.74 -39.22 61.96 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.412 1.085 . . . . 0.0 110.029 176.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 38.7 mm -47.41 -43.38 8.52 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 C-N-CA 124.232 1.013 . . . . 0.0 110.62 170.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 38.1 t -86.37 -30.16 6.08 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.257 0 CA-C-O 118.544 -0.741 . . . . 0.0 111.349 178.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -58.28 -24.73 60.44 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 120.28 1.4 . . . . 0.0 111.03 171.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.28 -29.95 25.63 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.698 -0.626 . . . . 0.0 111.062 169.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 25.2 ttt -76.21 -52.16 10.61 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.193 -0.942 . . . . 0.0 109.89 169.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.25 -12.37 2.31 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 176.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -65.93 -1.67 3.23 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.715 0.806 . . . . 0.0 111.366 167.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -56.85 -6.53 0.34 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.489 1.516 . . . . 0.0 114.946 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -52.46 -24.55 8.14 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 122.258 1.027 . . . . 0.0 109.448 163.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 35.1 ttm-85 -47.55 -27.99 2.06 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 125.411 1.484 . . . . 0.0 112.896 170.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -47.85 -34.89 9.42 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.258 0.623 . . . . 0.0 112.09 173.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -119.07 50.73 1.19 Allowed 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 107.818 -1.179 . . . . 0.0 107.818 175.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 16.3 t0 28.93 51.92 0.07 Allowed 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 126.394 1.878 . . . . 0.0 112.873 -175.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 57.9 29.63 17.88 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.451 -0.78 . . . . 0.0 111.03 168.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -127.87 57.56 1.53 Allowed 'General case' 0 C--O 1.234 0.288 0 C-N-CA 124.985 1.314 . . . . 0.0 109.293 -169.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 32.1 m -91.24 132.38 35.91 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 CA-C-O 121.158 0.504 . . . . 0.0 111.163 -169.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -85.8 175.52 8.63 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.189 1.396 . . . . 0.0 107.696 168.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -52.81 -44.7 66.84 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 119.372 0.987 . . . . 0.0 111.939 -172.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -54.93 -50.94 67.62 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 118.291 0.496 . . . . 0.0 109.766 178.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -68.59 -47.4 66.84 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.231 1.012 . . . . 0.0 109.805 -172.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -49.66 -52.12 33.2 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 124.558 1.143 . . . . 0.0 109.664 169.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 11.8 mm -61.56 -51.7 69.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 CA-C-O 118.688 -0.673 . . . . 0.0 110.096 -178.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 90.5 m -49.8 -49.97 46.64 Favored 'General case' 0 CA--C 1.523 -0.064 0 CA-C-N 119.397 0.999 . . . . 0.0 110.117 177.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -56.82 -53.93 52.18 Favored 'General case' 0 N--CA 1.445 -0.689 0 C-N-CA 124.549 1.14 . . . . 0.0 111.372 179.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 78.0 mt -54.53 -58.97 5.42 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 173.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -34.32 -51.56 0.72 Allowed Glycine 0 CA--C 1.528 0.854 0 C-N-CA 127.731 2.586 . . . . 0.0 113.918 173.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.23 -42.02 76.64 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 117.823 0.812 . . . . 0.0 111.444 -179.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 48.7 mt -82.77 -29.58 29.56 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.095 0.558 . . . . 0.0 110.578 178.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -49.67 -57.81 6.51 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 125.411 1.484 . . . . 0.0 113.229 -168.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 67.9 mmm -66.6 -12.57 58.58 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.771 0.714 . . . . 0.0 112.786 -178.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 36.0 mt -84.32 -62.37 1.5 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 171.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -90.25 -43.36 10.44 Favored 'General case' 0 C--N 1.339 0.109 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 -169.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -87.04 27.91 0.97 Allowed 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 127.034 2.134 . . . . 0.0 112.911 -166.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.518 ' HB2' ' OXT' ' B' ' 90' ' ' GLY . 10.1 pt-20 -45.85 -30.21 1.62 Allowed 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 119.355 0.979 . . . . 0.0 111.629 172.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.1 -26.57 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 127.454 2.301 . . . . 0.0 113.778 169.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 21.2 mt -39.39 -39.39 0.66 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.186 1.394 . . . . 0.0 111.238 168.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -152.74 -27.88 0.15 Allowed 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 114.56 1.319 . . . . 0.0 114.56 176.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . 0.518 ' OXT' ' HB2' ' B' ' 86' ' ' GLU . . . . . . . . 0 C--O 1.27 2.37 0 C-N-CA 125.646 1.593 . . . . 0.0 110.827 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.3 mtm . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.76 -0.089 . . . . 0.0 110.76 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.17 -84.14 0.58 Allowed 'General case' 0 C--N 1.339 0.121 0 C-N-CA 123.529 0.732 . . . . 0.0 109.838 -177.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.0 m -158.97 145.19 12.41 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 105.823 -1.917 . . . . 0.0 105.823 171.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -43.3 -58.32 1.42 Allowed 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 123.712 2.941 . . . . 0.0 114.763 -169.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -39.47 89.54 Favored 'General case' 0 CA--C 1.53 0.21 0 O-C-N 122.003 -0.436 . . . . 0.0 112.087 -175.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -64.08 -54.55 32.24 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -48.74 -53.02 20.63 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 126.028 1.731 . . . . 0.0 109.92 175.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.61 -60.18 4.08 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -179.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 22.5 mm -54.19 -48.87 65.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 -177.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -51.65 -53.57 28.6 Favored Glycine 0 CA--C 1.526 0.779 0 C-N-CA 124.357 0.98 . . . . 0.0 111.648 174.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -58.4 -55.23 37.73 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.01 0.905 . . . . 0.0 109.566 -177.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 12' ' ' LEU . 3.8 mm? -59.21 -52.16 66.9 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.645 0.378 . . . . 0.0 111.083 -176.122 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 49.7 mt -61.8 -42.82 95.97 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 118.121 0.419 . . . . 0.0 110.02 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.67 -59.61 9.91 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 111.696 -0.562 . . . . 0.0 111.696 -178.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.1 mt -53.73 -41.96 49.68 Favored 'Isoleucine or valine' 0 C--N 1.341 0.205 0 CA-C-O 118.143 -0.932 . . . . 0.0 111.869 -169.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -32.14 -68.36 0.09 Allowed 'General case' 0 C--N 1.342 0.259 0 C-N-CA 124.828 1.251 . . . . 0.0 110.079 172.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -91.1 10.41 26.97 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -169.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.6 tttt -53.18 -42.03 65.82 Favored 'General case' 0 C--N 1.342 0.251 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 170.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -73.42 83.07 1.45 Allowed 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 169.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.2 m 138.93 11.58 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.614 1 C-N-CA 131.898 4.079 . . . . 0.0 111.057 -172.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 68.58 19.96 73.41 Favored Glycine 0 CA--C 1.527 0.835 0 O-C-N 121.043 -1.035 . . . . 0.0 112.347 178.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.2 ttpp 54.14 44.42 29.21 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.913 0.885 . . . . 0.0 111.049 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.0 -68.15 0.21 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 126.273 1.829 . . . . 0.0 114.505 -169.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -139.36 15.38 3.2 Favored Glycine 0 CA--C 1.53 1.007 0 C-N-CA 125.997 1.76 . . . . 0.0 111.054 173.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 58.27 34.9 24.51 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 126.638 1.975 . . . . 0.0 111.446 -179.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -146.93 74.97 1.37 Allowed 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 -168.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 22.0 p80 179.07 151.17 0.32 Allowed 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 124.513 1.125 . . . . 0.0 109.592 166.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.76 154.61 32.77 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.518 1.127 . . . . 0.0 109.27 168.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -104.66 -177.42 3.36 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 167.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 79.0 p -113.04 162.03 16.38 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 168.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.54 -28.27 53.79 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -171.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.2 pttm -66.26 -29.97 70.32 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 118.288 -0.863 . . . . 0.0 112.4 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -70.73 -51.92 24.24 Favored 'General case' 0 C--N 1.342 0.242 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 169.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -50.45 -46.59 56.79 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.433 -175.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -41.72 -43.03 2.74 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.845 1.658 . . . . 0.0 112.5 174.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.08 -41.85 27.75 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 117.873 0.306 . . . . 0.0 111.229 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.9 tt -57.73 -59.9 4.5 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 125.307 1.443 . . . . 0.0 110.459 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.416 HG23 ' N ' ' A' ' 39' ' ' GLN . 18.2 tt -54.26 -57.74 5.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 C-N-CA 124.599 1.159 . . . . 0.0 111.571 -169.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.416 ' N ' HG23 ' A' ' 38' ' ' ILE . 0.4 OUTLIER -81.59 -31.69 32.43 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -168.555 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.6 mtmm -77.88 -55.58 5.19 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 118.335 -1.346 . . . . 0.0 110.001 -178.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -91.99 -57.44 2.72 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -169.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -70.79 -56.98 5.12 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 -167.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 68.7 p -76.3 101.17 5.37 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -168.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 19.2 mt -78.11 59.92 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 N-CA-C 106.508 -1.664 . . . . 0.0 106.508 167.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 46.7 -129.03 11.48 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 106.331 -2.708 . . . . 0.0 106.331 -165.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.7 m -129.51 44.67 2.93 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 104.933 -2.247 . . . . 0.0 104.933 167.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . 0.324 0.0 OUTLIER 49.3 48.23 21.34 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.332 1.453 . . . . 0.0 110.651 -165.71 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.8 mm? 63.22 170.61 0.15 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.957 1.703 . . . . 0.0 111.414 -176.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 57.7 47.11 16.23 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.964 0.906 . . . . 0.0 109.264 -169.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.44 171.16 14.25 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 125.237 1.415 . . . . 0.0 111.445 -178.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -147.4 92.12 2.06 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.615 1.166 . . . . 0.0 109.108 174.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -46.45 -43.3 16.43 Favored 'General case' 0 C--O 1.225 -0.199 0 C-N-CA 124.679 1.192 . . . . 0.0 112.492 -178.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.9 mp -55.77 -46.98 79.96 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 123.178 0.591 . . . . 0.0 109.823 176.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 64.7 t -67.35 -45.84 85.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 -176.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -58.7 -42.85 89.57 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 117.705 0.229 . . . . 0.0 110.914 177.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.1 tp -61.82 -46.03 91.27 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.831 0.453 . . . . 0.0 110.256 177.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 50.8 ttm -58.66 -53.35 59.29 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 177.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -53.69 -43.87 69.27 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.348 1.859 . . . . 0.0 110.83 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.401 ' HA ' ' CD1' ' A' ' 76' ' ' PHE . 10.6 t70 -56.02 -70.83 0.1 Allowed 'General case' 0 C--O 1.224 -0.273 0 CA-C-O 121.25 0.548 . . . . 0.0 110.632 170.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 97.2 mt -55.73 -39.07 70.61 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 123.929 0.892 . . . . 0.0 112.628 -169.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -45.1 -34.55 2.65 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 123.85 0.86 . . . . 0.0 111.844 174.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 26.5 ptt-85 -41.94 -40.03 2.04 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.79 1.236 . . . . 0.0 114.297 -175.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -43.75 24.08 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.812 1 C-N-CA 133.414 4.686 . . . . 0.0 120.787 -168.358 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -88.31 -8.09 55.7 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 120.54 -1.35 . . . . 0.0 112.505 -169.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -105.72 -63.52 1.24 Allowed 'General case' 0 C--N 1.342 0.275 0 CA-C-N 119.498 1.045 . . . . 0.0 109.089 173.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -154.08 -61.53 0.13 Allowed 'General case' 0 CA--C 1.522 -0.096 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -169.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -164.27 -59.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -168.21 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.4 p -160.49 83.89 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 124.472 1.109 . . . . 0.0 110.13 168.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -97.34 174.89 6.47 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.818 2.047 . . . . 0.0 108.985 168.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -53.47 -53.58 49.29 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 120.289 1.404 . . . . 0.0 111.235 -176.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -47.41 -37.75 12.02 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 124.171 0.988 . . . . 0.0 111.294 175.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -77.2 -65.72 0.92 Allowed 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 -176.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -36.52 -56.26 0.81 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.991 2.117 . . . . 0.0 112.658 173.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 10.1 tp -60.53 -25.48 34.7 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 C-N-CA 123.56 0.744 . . . . 0.0 112.301 -175.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 94.8 m -49.17 -64.8 0.7 Allowed 'General case' 0 C--N 1.342 0.282 0 C-N-CA 124.063 0.945 . . . . 0.0 111.439 -170.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.401 ' CD1' ' HA ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER -73.15 -40.31 64.97 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.074 -176.335 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -37.62 -48.52 1.04 Allowed 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.853 0.861 . . . . 0.0 111.025 169.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -51.6 -62.45 5.52 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 123.616 0.627 . . . . 0.0 112.608 173.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.24 -48.44 81.44 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.817 0.818 . . . . 0.0 110.822 -175.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -54.93 -49.56 71.02 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 124.089 0.956 . . . . 0.0 109.613 177.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.9 -54.22 49.08 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 119.224 0.92 . . . . 0.0 110.707 174.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 11.6 tmm? -44.76 -50.6 10.02 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.587 1.555 . . . . 0.0 110.3 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 84.1 mt -80.91 -54.75 9.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 123.887 0.875 . . . . 0.0 111.261 -173.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . 0.351 0.1 OUTLIER -73.13 -27.11 61.49 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -168.653 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -70.29 -45.35 66.49 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 118.795 -1.162 . . . . 0.0 111.666 -169.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 178.57 -170.78 0.11 Allowed 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 129.931 3.292 . . . . 0.0 104.622 -175.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -78.03 56.5 1.62 Allowed 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 119.477 1.035 . . . . 0.0 108.353 169.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.441 HD13 ' CZ ' ' B' ' 16' ' ' PHE . 11.7 mt 59.51 53.9 4.87 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 124.89 1.276 . . . . 0.0 109.261 -168.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.7 130.69 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.808 1.643 . . . . 0.0 109.766 -173.072 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.411 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 -169.122 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.537 0.443 0 N-CA-C 112.513 0.561 . . . . 0.0 112.513 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.8 -105.03 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.224 0.61 . . . . 0.0 110.99 -174.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 66.7 m -70.79 157.22 90.73 Favored Pre-proline 0 CA--C 1.535 0.388 0 CA-C-O 118.528 -0.749 . . . . 0.0 109.974 -179.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -42.97 -41.34 8.98 Favored 'Trans proline' 0 CA--C 1.535 0.542 0 C-N-CA 124.116 3.211 . . . . 0.0 115.738 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 59.3 tp -67.42 -43.29 81.6 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.103 0.561 . . . . 0.0 110.858 176.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -67.13 -36.7 82.46 Favored 'General case' 0 C--O 1.222 -0.349 0 O-C-N 122.104 -0.372 . . . . 0.0 110.151 178.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -58.39 -51.86 68.04 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.148 0.579 . . . . 0.0 109.754 170.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.39 -58.72 6.58 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 122.613 0.365 . . . . 0.0 111.21 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 96.4 mt -54.46 -45.22 69.95 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 175.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.68 -44.33 23.17 Favored Glycine 0 CA--C 1.522 0.499 0 C-N-CA 126.619 2.056 . . . . 0.0 112.186 175.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -62.65 -49.59 74.55 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 118.939 1.37 . . . . 0.0 110.124 176.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 64.1 mt -57.59 -42.6 83.47 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 120.69 0.281 . . . . 0.0 110.32 179.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 82.2 mt -63.76 -42.57 96.38 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 C-N-CA 123.403 0.681 . . . . 0.0 109.648 174.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -41.15 -66.67 0.88 Allowed Glycine 0 C--N 1.334 0.442 0 C-N-CA 126.242 1.877 . . . . 0.0 109.58 169.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 29.5 mm -60.48 -33.86 55.92 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 123.976 0.91 . . . . 0.0 110.999 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.441 ' CZ ' HD13 ' A' ' 88' ' ' LEU . 5.1 t80 -51.7 -48.12 63.66 Favored 'General case' 0 C--O 1.225 -0.216 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 178.491 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . 0.31 0.1 OUTLIER -93.52 21.79 5.94 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 115.919 1.822 . . . . 0.0 115.919 169.669 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -61.78 -33.62 74.42 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 104.728 -2.323 . . . . 0.0 104.728 163.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . 0.527 ' CE1' ' CB ' ' B' ' 37' ' ' LEU . 81.2 m-85 -65.53 108.82 2.14 Favored 'General case' 0 N--CA 1.439 -0.984 0 N-CA-C 105.604 -1.999 . . . . 0.0 105.604 164.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 19.1 m 89.48 12.99 0.06 Allowed 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 127.685 2.394 . . . . 0.0 112.577 -168.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 74.97 -42.08 1.31 Allowed Glycine 0 CA--C 1.531 1.052 0 C-N-CA 125.236 1.398 . . . . 0.0 114.981 169.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.66 163.42 38.57 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 124.382 1.073 . . . . 0.0 110.605 -167.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -62.35 175.92 0.69 Allowed 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 127.352 2.261 . . . . 0.0 108.649 169.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 62.09 74.98 0.34 Allowed Glycine 0 N--CA 1.449 -0.474 0 N-CA-C 105.923 -2.871 . . . . 0.0 105.923 -168.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -163.01 -173.26 3.37 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 123.079 0.552 . . . . 0.0 110.444 -171.086 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -67.77 108.1 2.84 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 175.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 21.5 m170 -75.3 64.49 1.5 Allowed 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 171.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 159.61 115.52 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 131.565 3.946 . . . . 0.0 105.025 -176.455 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -94.61 129.24 41.54 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 -168.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 70.7 m -89.17 163.48 15.42 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 123.281 0.632 . . . . 0.0 109.426 175.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -45.25 -43.26 10.27 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -53.75 53.71 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 122.632 0.373 . . . . 0.0 110.965 -174.393 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -53.84 -49.1 69.19 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 170.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.24 -43.45 64.33 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 111.949 0.352 . . . . 0.0 111.949 -175.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.18 -23.37 3.26 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.19 0.996 . . . . 0.0 112.634 179.068 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -55.1 15.06 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 119.538 1.063 . . . . 0.0 111.28 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.527 ' CB ' ' CE1' ' B' ' 19' ' ' TYR 0.287 0.4 OUTLIER -90.93 -39.82 12.06 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -169.209 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 13.9 pt -53.62 -35.36 25.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -167.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -54.23 -27.87 37.51 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 178.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 44.1 tttm -81.27 -58.81 2.88 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 122.795 0.438 . . . . 0.0 110.08 170.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -68.28 -25.94 65.4 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 114.85 1.426 . . . . 0.0 114.85 -166.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 96.7 mt -69.34 26.78 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.361 1.464 . . . . 0.0 113.3 175.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -54.56 9.09 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 128.745 2.818 . . . . 0.0 118.265 -167.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 5.4 mt 74.52 -51.19 0.22 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.177 0 C-N-CA 128.912 2.885 . . . . 0.0 113.802 167.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.83 -72.42 0.53 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -169.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 14.2 m -166.45 97.51 0.58 Allowed 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.599 1.159 . . . . 0.0 109.644 -174.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . 0.425 ' NZ ' ' OD2' ' B' ' 50' ' ' ASP . 0.0 OUTLIER 53.22 60.69 3.58 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.845 0.858 . . . . 0.0 111.605 168.393 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 8.6 tt -129.29 -65.3 0.86 Allowed 'General case' 0 N--CA 1.461 0.11 0 C-N-CA 124.138 0.975 . . . . 0.0 108.64 175.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 24.6 mm100 -77.42 67.8 3.42 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 125.016 1.326 . . . . 0.0 107.621 172.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.425 ' OD2' ' NZ ' ' B' ' 47' ' ' LYS . 78.3 m-20 -64.63 79.32 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.261 1.824 . . . . 0.0 112.11 -173.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . 28.17 -89.05 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 127.957 2.503 . . . . 0.0 114.208 169.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 40.9 tp10 -39.62 -54.48 2.01 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.537 1.535 . . . . 0.0 111.625 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 14.2 pt -90.48 8.49 3.65 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -172.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 2.6 t -43.52 -51.01 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-N 119.857 1.208 . . . . 0.0 113.388 -171.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -67.45 -31.71 72.07 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 122.87 0.106 . . . . 0.0 110.807 -175.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -72.77 -48.95 34.04 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 175.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 11.7 tpt -58.19 -41.28 83.61 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 -178.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -49.65 -62.63 1.45 Allowed 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.154 1.381 . . . . 0.0 110.259 170.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.97 -15.34 60.18 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -172.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 23.4 tp -66.84 -61.21 2.07 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 124.401 1.081 . . . . 0.0 109.835 -175.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -52.26 -43.26 64.27 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 122.579 0.352 . . . . 0.0 110.906 -171.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . 0.449 ' CD ' HG22 ' B' ' 68' ' ' VAL . 5.5 ptt-85 -78.03 -99.6 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.0 -0.545 . . . . 0.0 112.061 -174.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -86.55 0.55 54.12 Favored 'General case' 0 C--O 1.224 -0.246 0 O-C-N 121.057 -1.027 . . . . 0.0 113.242 -167.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 14.8 mmtm 65.77 51.13 1.46 Allowed 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 -169.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . 0.33 6.4 t0 60.48 97.84 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 128.575 2.75 . . . . 0.0 114.6 -169.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -178.15 -164.63 0.08 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.165 1.386 . . . . 0.0 108.942 174.427 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -74.28 176.14 6.95 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.642 0.777 . . . . 0.0 109.522 -178.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.449 HG22 ' CD ' ' B' ' 62' ' ' ARG . 5.2 t -128.88 125.81 63.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -167.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -94.04 171.2 9.0 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.033 0.933 . . . . 0.0 110.735 169.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -57.08 -48.77 77.79 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-O 119.229 -0.415 . . . . 0.0 110.43 -177.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 7.9 tm0? -52.57 -51.21 60.85 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -54.93 -62.96 1.32 Allowed 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 118.205 0.457 . . . . 0.0 110.218 176.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -43.64 -58.33 2.72 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.961 0.904 . . . . 0.0 110.639 -179.122 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 11.3 tp -69.96 -41.33 79.39 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 O-C-N 122.119 -0.363 . . . . 0.0 110.346 -170.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 87.3 m -63.73 -47.48 80.89 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 -178.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -58.18 -60.33 3.91 Favored 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 125.577 1.551 . . . . 0.0 110.883 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 22.7 mt -59.02 -36.73 75.47 Favored 'General case' 0 C--O 1.225 -0.196 0 O-C-N 122.096 -0.378 . . . . 0.0 110.366 177.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.85 -48.69 76.45 Favored Glycine 0 CA--C 1.526 0.72 0 C-N-CA 124.048 0.833 . . . . 0.0 111.203 174.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.12 -49.6 73.76 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 117.811 0.806 . . . . 0.0 109.856 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 46.1 mt -57.52 -47.28 82.39 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 178.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.9 -49.68 76.72 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.198 0.999 . . . . 0.0 110.705 178.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 30.1 ttp -50.78 -55.4 16.96 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.892 0.877 . . . . 0.0 109.879 175.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 89.0 mt -58.27 -54.24 35.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 123.086 0.555 . . . . 0.0 110.064 -178.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . 0.351 2.0 p90 -81.61 -6.37 58.94 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 -173.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -85.34 -108.21 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 105.791 -1.929 . . . . 0.0 105.791 166.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 175.56 -60.76 0.01 OUTLIER 'General case' 0 C--O 1.236 0.361 0 C-N-CA 127.552 2.341 . . . . 0.0 108.711 168.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -37.04 -43.62 0.48 Allowed 'General case' 0 C--O 1.225 -0.185 0 C-N-CA 127.455 2.302 . . . . 0.0 113.868 -167.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.589 ' H ' HD12 ' B' ' 88' ' ' LEU . 6.4 mp -51.29 -36.59 43.08 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 124.561 1.144 . . . . 0.0 111.811 -172.357 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? -172.38 -62.14 0.02 OUTLIER 'General case' 0 CA--C 1.52 -0.185 0 C-N-CA 125.628 1.571 . . . . 0.0 106.897 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.371 0 N-CA-C 107.579 -2.208 . . . . 0.0 107.579 169.672 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.539 0.548 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 90.62 35.33 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 127.948 2.499 . . . . 0.0 111.747 177.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.63 175.6 0.61 Allowed Pre-proline 0 CA--C 1.542 0.66 0 C-N-CA 125.406 1.483 . . . . 0.0 109.233 168.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -52.53 -70.78 0.05 OUTLIER 'Trans proline' 0 CA--C 1.542 0.909 0 C-N-CA 121.954 1.769 . . . . 0.0 114.232 -176.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 78.9 mt -63.69 -52.56 60.1 Favored 'General case' 0 C--O 1.226 -0.168 0 O-C-N 121.526 -0.734 . . . . 0.0 109.694 -177.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -31.64 -61.51 0.22 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 127.806 2.442 . . . . 0.0 111.851 169.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -60.38 -49.27 78.25 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.667 1.187 . . . . 0.0 111.352 -179.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.28 -48.77 80.33 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 118.225 0.466 . . . . 0.0 110.907 -178.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 93.1 mt -53.02 -56.91 5.73 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 C-N-CA 124.646 1.178 . . . . 0.0 108.324 174.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.6 -51.26 12.8 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 124.459 1.028 . . . . 0.0 111.924 176.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.1 tt -57.52 -52.61 64.69 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.686 0.794 . . . . 0.0 110.244 178.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.2 mt -60.21 -48.09 83.22 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 122.72 0.408 . . . . 0.0 111.329 -176.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.3 mp -66.17 -39.4 84.24 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 177.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.07 -56.7 17.66 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.005 -1.238 . . . . 0.0 110.005 175.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.5 mt -59.38 -47.46 90.52 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 123.014 0.525 . . . . 0.0 110.277 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -45.61 -61.93 1.5 Allowed 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 119.001 0.819 . . . . 0.0 111.461 170.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . 0.284 0.1 OUTLIER -80.94 -36.87 30.4 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 -167.437 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -33.77 67.01 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 120.463 1.483 . . . . 0.0 112.201 -170.389 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -66.14 -4.19 7.03 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 112.856 0.688 . . . . 0.0 112.856 178.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.8 m -65.95 -10.38 38.53 Favored 'General case' 0 CA--C 1.538 0.481 0 O-C-N 121.624 -0.672 . . . . 0.0 110.939 167.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.88 -66.74 3.79 Favored Glycine 0 C--N 1.341 0.828 0 N-CA-C 107.08 -2.408 . . . . 0.0 107.08 -179.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.6 tttm -118.56 135.9 54.16 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 104.723 -2.325 . . . . 0.0 104.723 167.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -98.31 -167.03 1.44 Allowed 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 125.325 1.45 . . . . 0.0 108.052 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.1 -51.72 4.16 Favored Glycine 0 CA--C 1.529 0.907 0 O-C-N 121.359 -0.838 . . . . 0.0 111.146 -177.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.84 -85.31 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.028 0.931 . . . . 0.0 111.749 177.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -72.53 106.73 4.71 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 123.97 0.908 . . . . 0.0 110.183 -175.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 52.5 m170 -80.1 -39.19 30.12 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 124.36 1.064 . . . . 0.0 109.419 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.54 -178.04 5.63 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 128.034 2.534 . . . . 0.0 108.008 167.487 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.6 mp -138.09 132.21 31.7 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 119.423 1.01 . . . . 0.0 108.601 169.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.0 p -81.92 58.66 3.98 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 121.71 -0.619 . . . . 0.0 112.521 -169.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.4 ' NZ ' ' OE2' ' A' ' 67' ' ' GLU . 14.3 mtmm 61.86 -70.78 0.05 OUTLIER 'General case' 0 C--O 1.225 -0.188 0 C-N-CA 127.121 2.168 . . . . 0.0 113.361 176.499 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -40.22 -52.16 2.64 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 126.218 1.807 . . . . 0.0 110.24 -174.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.407 ' H ' ' CD ' ' A' ' 33' ' ' GLU . 30.7 mp0 -56.16 -43.73 78.62 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 125.364 1.465 . . . . 0.0 110.288 -177.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.7 mt -81.96 -29.01 32.41 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-O 117.53 -1.224 . . . . 0.0 111.549 176.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 45.5 tptt -57.78 -47.53 82.27 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 121.431 1.923 . . . . 0.0 109.713 177.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -44.16 -55.23 4.95 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.925 1.29 . . . . 0.0 110.83 170.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 tt -65.57 -74.24 0.11 Allowed 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 125.269 1.427 . . . . 0.0 111.806 -178.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.4 pp -42.95 -56.76 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 C-N-CA 126.991 2.116 . . . . 0.0 111.902 -167.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -61.32 -49.39 77.18 Favored 'General case' 0 N--CA 1.443 -0.821 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 -170.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.6 mtmm -77.01 -59.58 2.72 Favored 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 119.779 -0.768 . . . . 0.0 110.251 -173.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.4 ' OE1' ' NZ ' ' A' ' 47' ' ' LYS . 37.8 mm-40 -84.03 -28.69 27.48 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -167.164 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 31.8 mt -92.32 -63.0 1.29 Allowed 'General case' 0 C--N 1.339 0.133 0 CA-C-N 119.343 0.974 . . . . 0.0 112.049 178.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.8 p -59.89 156.33 14.63 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -167.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.26 10.0 tt 39.65 60.78 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.184 0 C-N-CA 126.865 2.066 . . . . 0.0 111.346 177.108 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 48.22 52.71 17.29 Favored Glycine 0 CA--C 1.527 0.805 0 CA-C-N 112.857 -1.974 . . . . 0.0 111.289 -179.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.1 m 60.84 64.44 1.15 Allowed 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.34 0.656 . . . . 0.0 111.323 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.4 ' NZ ' ' OE1' ' A' ' 41' ' ' GLU . 0.0 OUTLIER 54.3 42.25 31.56 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.497 1.519 . . . . 0.0 113.211 177.28 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 51.2 tp -60.7 -33.8 73.41 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 121.931 -0.48 . . . . 0.0 110.842 177.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -135.21 -57.5 0.8 Allowed 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.5 0.72 . . . . 0.0 111.399 178.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.4 t0 66.44 162.15 0.16 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.364 1.466 . . . . 0.0 110.174 -168.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -170.73 151.02 3.38 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 127.277 2.231 . . . . 0.0 107.086 176.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -52.54 -45.78 66.49 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 122.873 0.469 . . . . 0.0 109.893 178.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 41.0 mm -49.3 -50.25 16.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.614 171.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 65.7 t -63.78 -51.08 74.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 118.782 0.719 . . . . 0.0 109.79 -175.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -69.07 -17.69 63.91 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -176.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 69.0 mt -83.69 -43.45 15.53 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 118.44 0.564 . . . . 0.0 110.629 169.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 21.2 mmt -73.82 -45.92 48.39 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-O 119.471 -0.3 . . . . 0.0 111.733 -172.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 53.4 p-10 -29.24 -61.24 0.14 Allowed 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 126.074 1.75 . . . . 0.0 114.36 -173.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -61.85 -8.91 5.55 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -171.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 pp -51.06 -39.42 55.97 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 120.578 1.535 . . . . 0.0 113.203 -172.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -64.96 -39.2 93.12 Favored 'General case' 0 CA--C 1.529 0.14 0 O-C-N 121.631 -0.668 . . . . 0.0 110.379 177.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.7 mtp85 -73.84 25.57 0.07 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.597 1.959 . . . . 0.0 113.73 -169.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -89.04 -15.96 32.76 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.681 1.592 . . . . 0.0 113.613 -173.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.8 mttp -78.42 -44.51 24.6 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 123.959 0.903 . . . . 0.0 110.609 -167.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -115.58 96.27 5.55 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 172.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -40.85 -35.1 0.46 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 113.559 -1.655 . . . . 0.0 114.369 169.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.4 ' OE2' ' NZ ' ' A' ' 31' ' ' LYS . 26.8 mm-40 -100.39 46.68 0.95 Allowed 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 120.035 1.289 . . . . 0.0 110.39 178.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 8.3 m -16.09 83.77 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 C-N-CA 130.957 3.703 . . . . 0.0 115.7 -169.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -68.52 -178.89 1.21 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.149 1.38 . . . . 0.0 111.98 169.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -54.42 -43.71 71.78 Favored 'General case' 0 C--O 1.225 -0.227 0 C-N-CA 123.82 0.848 . . . . 0.0 111.692 -176.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.8 tm0? -49.79 -54.58 18.27 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-O 118.835 -0.602 . . . . 0.0 110.371 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -61.22 -57.86 10.69 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 118.756 0.707 . . . . 0.0 110.442 -178.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -41.55 -52.59 3.68 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.684 1.194 . . . . 0.0 111.475 177.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.1 tp -79.1 -41.79 23.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-O 118.629 -0.7 . . . . 0.0 111.419 -173.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 49.9 m -48.7 -54.77 13.54 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 119.342 0.974 . . . . 0.0 108.862 173.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -52.05 -55.67 19.2 Favored 'General case' 0 N--CA 1.442 -0.857 0 C-N-CA 125.513 1.525 . . . . 0.0 110.728 175.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.98 -44.92 51.19 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.671 0.669 . . . . 0.0 112.262 174.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.94 -51.98 53.9 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 123.987 0.803 . . . . 0.0 111.105 177.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.75 -54.36 47.17 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 122.489 -0.418 . . . . 0.0 110.115 176.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 74.8 mt -53.35 -46.06 69.37 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.201 1.0 . . . . 0.0 112.126 -178.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.62 -45.3 81.58 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 121.743 -0.598 . . . . 0.0 110.51 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 67.8 mtm -67.69 -8.12 32.56 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 175.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 85.8 mt -92.69 -69.9 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 168.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.5 p90 -80.8 -40.45 24.99 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -169.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -92.97 23.17 4.39 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 124.539 1.136 . . . . 0.0 111.549 -170.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -54.35 78.53 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 117.724 2.49 . . . . 0.0 117.724 -165.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -123.67 22.53 9.03 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 126.934 2.094 . . . . 0.0 108.178 164.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.4 mp -108.27 -63.14 1.36 Allowed 'General case' 0 C--N 1.341 0.22 0 C-N-CA 127.235 2.214 . . . . 0.0 110.874 -169.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.5 mtmm -80.77 -47.51 13.81 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 177.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.269 2.338 0 N-CA-C 107.096 -2.401 . . . . 0.0 107.096 168.88 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.6 tpt . . . . . 0 N--CA 1.45 -0.454 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -174.57 69.3 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.879 0.872 . . . . 0.0 110.348 -174.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . 0.405 ' CB ' ' HB3' ' B' ' 6' ' ' ASP . 0.0 OUTLIER -86.86 158.67 53.15 Favored Pre-proline 0 N--CA 1.471 0.576 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 170.038 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -56.67 -55.36 2.79 Favored 'Trans proline' 0 N--CA 1.456 -0.734 0 C-N-CA 122.113 1.875 . . . . 0.0 110.978 173.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 68.6 mt -62.39 -49.68 74.57 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -179.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . 0.405 ' HB3' ' CB ' ' B' ' 3' ' ' SER . 0.8 OUTLIER -48.08 -53.91 14.92 Favored 'General case' 0 C--O 1.225 -0.232 0 C-N-CA 124.707 1.203 . . . . 0.0 111.224 176.861 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -66.68 -42.69 86.11 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 121.861 -0.524 . . . . 0.0 111.889 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.11 -53.1 61.15 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 118.701 0.682 . . . . 0.0 110.401 177.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 62.3 mt -55.32 -43.71 72.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 172.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -40.73 -46.22 3.76 Favored Glycine 0 CA--C 1.525 0.703 0 C-N-CA 127.296 2.379 . . . . 0.0 113.162 173.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.9 mp -59.82 -48.37 81.97 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.988 1.394 . . . . 0.0 110.223 176.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.4 mp -62.81 -35.25 79.27 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.844 -0.535 . . . . 0.0 110.641 179.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 97.9 mt -61.19 -48.31 89.53 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 C-N-CA 123.935 0.894 . . . . 0.0 109.267 172.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.54 -40.44 69.86 Favored Glycine 0 CA--C 1.526 0.768 0 C-N-CA 124.639 1.114 . . . . 0.0 111.391 177.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 30.0 mm -70.15 -55.02 16.1 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 CA-C-N 117.437 0.618 . . . . 0.0 110.674 174.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.508 ' CZ ' ' CE1' ' B' ' 17' ' ' HIS . 5.3 t80 -39.61 -61.33 0.83 Allowed 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.006 1.322 . . . . 0.0 111.228 173.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . 0.508 ' CE1' ' CZ ' ' B' ' 16' ' ' PHE . 3.7 m-70 -90.2 21.3 3.84 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -178.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.63 -54.85 33.3 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 121.419 -0.8 . . . . 0.0 109.375 169.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -67.85 -33.63 75.13 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.077 -178.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 2.3 m -58.94 -27.05 64.95 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 120.804 0.335 . . . . 0.0 111.799 169.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.63 -42.09 94.01 Favored Glycine 0 CA--C 1.526 0.74 0 C-N-CA 123.711 0.672 . . . . 0.0 113.096 -168.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -53.43 -36.57 61.69 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 -174.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -106.21 -43.84 4.7 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 176.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 178.18 119.44 0.6 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.553 -1.019 . . . . 0.0 110.553 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -38.63 -50.15 1.59 Allowed 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 125.171 1.388 . . . . 0.0 112.719 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -72.86 65.31 0.72 Allowed 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.167 0.987 . . . . 0.0 113.36 -168.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 26.6 p80 -160.02 142.42 13.31 Favored 'General case' 0 CA--C 1.517 -0.324 0 O-C-N 121.246 -0.909 . . . . 0.0 113.07 165.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 3.4 p -38.98 145.56 0.09 Allowed 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 127.623 2.369 . . . . 0.0 111.527 171.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 35.8 mt -70.65 124.98 25.55 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 107.694 -1.225 . . . . 0.0 107.694 171.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -82.83 50.35 1.68 Allowed 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.894 0.878 . . . . 0.0 110.896 -169.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 34.1 mtmm 60.26 -68.93 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 126.898 2.079 . . . . 0.0 113.119 -175.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 45.1 tttm -55.32 -41.09 71.96 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.012 -1.055 . . . . 0.0 110.134 -178.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -53.54 -48.14 69.34 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 122.865 0.466 . . . . 0.0 110.524 174.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 37.0 tp -60.31 -43.03 96.7 Favored 'General case' 0 C--N 1.341 0.196 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 175.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 45.3 tptt -56.36 -52.33 64.99 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.2 0.455 . . . . 0.0 110.914 178.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -57.43 -43.93 84.25 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.469 -0.769 . . . . 0.0 111.568 175.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 tt -51.63 -51.5 55.26 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.916 0.886 . . . . 0.0 111.033 176.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.12 -45.09 91.29 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.101 0 O-C-N 121.083 -1.011 . . . . 0.0 111.282 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -53.54 -52.01 61.03 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.409 0.549 . . . . 0.0 110.56 177.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . 0.408 ' HZ3' ' CD ' ' B' ' 41' ' ' GLU . 18.6 ttpp -92.73 -95.01 0.14 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.6 0.76 . . . . 0.0 111.626 179.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.408 ' CD ' ' HZ3' ' B' ' 40' ' ' LYS . 23.5 mp0 -38.13 -53.09 1.44 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.431 1.892 . . . . 0.0 115.199 -168.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 20.0 mt -65.02 -26.8 68.43 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 119.555 1.07 . . . . 0.0 112.757 -174.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 8.4 p 80.89 144.42 0.08 Allowed 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 127.807 2.443 . . . . 0.0 109.222 -167.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 16.6 tt -146.95 -38.35 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 123.378 0.671 . . . . 0.0 111.782 -169.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 62.44 -121.97 26.81 Favored Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 178.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 26.1 t -47.63 -45.38 27.73 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.108 0.963 . . . . 0.0 112.101 -172.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -75.88 5.31 6.6 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.29 0.636 . . . . 0.0 112.066 -173.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 33.9 tp -51.75 -49.31 62.83 Favored 'General case' 0 C--N 1.344 0.34 0 CA-C-N 119.413 1.006 . . . . 0.0 110.748 173.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -77.68 54.88 1.27 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 126.501 1.92 . . . . 0.0 110.411 -176.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -72.44 155.07 40.5 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.738 1.215 . . . . 0.0 113.303 -168.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -92.92 130.77 38.4 Favored 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 125.442 1.497 . . . . 0.0 109.375 -179.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . 0.471 ' CD ' ' HZ3' ' B' ' 55' ' ' LYS . 3.0 mm-40 -47.49 -46.37 27.11 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 119.623 1.101 . . . . 0.0 112.807 -169.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 79.6 mt -56.77 -44.66 82.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 176.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.4 t -77.24 -28.13 16.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 O-C-N 122.008 -0.432 . . . . 0.0 110.284 -177.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.471 ' HZ3' ' CD ' ' B' ' 52' ' ' GLU . 50.8 mttp -57.64 -47.78 81.29 Favored 'General case' 0 C--N 1.341 0.197 0 O-C-N 121.349 -0.844 . . . . 0.0 109.018 172.224 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 63.3 tp -60.45 -47.56 85.58 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 123.378 0.424 . . . . 0.0 110.03 174.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 26.5 ttt -56.5 -54.85 40.93 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -177.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -31.97 -66.9 0.11 Allowed 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 126.146 1.778 . . . . 0.0 113.192 -169.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -35.82 -48.41 0.56 Allowed 'General case' 0 C--O 1.223 -0.301 0 C-N-CA 125.91 1.684 . . . . 0.0 112.051 -178.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 33.9 mt -61.97 -11.96 16.05 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 127.162 2.185 . . . . 0.0 114.041 -167.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.41 -38.6 43.78 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 165.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.77 20.4 4.77 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 177.044 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -24.67 -81.21 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 128.215 2.606 . . . . 0.0 114.057 -168.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.66 -74.27 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.787 1.635 . . . . 0.0 112.139 176.097 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 174.16 142.08 0.04 OUTLIER 'General case' 0 N--CA 1.436 -1.131 0 C-N-CA 131.089 3.756 . . . . 0.0 103.146 -177.058 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 32.96 -112.7 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 127.307 2.243 . . . . 0.0 113.175 166.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -91.08 165.17 13.66 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.843 0.857 . . . . 0.0 113.071 -168.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 46.8 t -98.21 114.25 35.13 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 C-N-CA 125.67 1.588 . . . . 0.0 112.458 -165.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -82.91 173.7 11.58 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 125.165 1.386 . . . . 0.0 109.774 168.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -56.84 -45.12 82.57 Favored 'General case' 0 C--O 1.221 -0.413 0 O-C-N 122.157 -0.339 . . . . 0.0 110.383 -177.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.1 tm0? -50.65 -50.28 54.92 Favored 'General case' 0 C--O 1.222 -0.363 0 C-N-CA 122.719 0.408 . . . . 0.0 110.598 176.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -63.67 -54.42 36.01 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 124.251 1.02 . . . . 0.0 109.797 -173.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -49.19 -46.8 46.12 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.799 0.839 . . . . 0.0 110.153 172.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 6.9 mm -64.36 -57.81 9.89 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 CA-C-O 118.375 -0.821 . . . . 0.0 111.101 -177.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 99.1 m -43.76 -51.57 7.17 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 124.468 1.107 . . . . 0.0 109.216 -178.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -58.54 -57.14 14.25 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 113.499 -1.682 . . . . 0.0 111.793 178.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.97 -39.24 77.68 Favored 'General case' 0 C--O 1.222 -0.347 0 O-C-N 121.851 -0.53 . . . . 0.0 110.769 -178.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.33 -52.33 53.88 Favored Glycine 0 CA--C 1.527 0.788 0 C-N-CA 124.297 0.951 . . . . 0.0 112.204 173.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.77 -49.38 68.36 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-O 121.161 0.505 . . . . 0.0 109.897 179.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 34.9 mt -65.35 -44.44 87.7 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.032 0.533 . . . . 0.0 111.066 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.75 -44.03 90.45 Favored 'General case' 0 CA--C 1.522 -0.103 0 C-N-CA 124.332 1.053 . . . . 0.0 110.746 -177.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 66.7 mtm -52.96 -22.9 6.19 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 118.225 -0.893 . . . . 0.0 112.359 173.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 52.2 mt -90.66 -71.47 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-N 119.674 1.125 . . . . 0.0 109.423 171.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 39.8 p90 -65.0 -36.9 85.89 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.081 -1.012 . . . . 0.0 112.495 -168.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -92.87 22.21 5.05 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.622 1.169 . . . . 0.0 112.183 174.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -45.39 141.09 2.76 Favored 'General case' 0 C--N 1.346 0.429 0 CA-C-O 123.093 1.425 . . . . 0.0 112.394 -175.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . 151.96 -35.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 1 C-N-CA 132.531 4.332 . . . . 0.0 105.753 -168.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.525 ' H ' HD12 ' B' ' 88' ' ' LEU . 7.1 mp -49.07 -43.65 41.23 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 126.28 1.832 . . . . 0.0 112.307 176.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 2.7 pptp? -150.14 4.03 0.53 Allowed 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -169.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.423 0 N-CA-C 110.052 -1.219 . . . . 0.0 110.052 175.241 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.451 -0.424 0 N-CA-C 107.119 -1.437 . . . . 0.0 107.119 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.88 98.51 0.2 Allowed 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 176.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 p -50.79 149.38 6.19 Favored Pre-proline 0 CA--C 1.538 0.502 0 C-N-CA 124.881 1.272 . . . . 0.0 110.205 173.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -36.1 -51.79 1.09 Allowed 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 124.931 3.754 . . . . 0.0 115.946 -173.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.89 -54.71 41.3 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.213 0.605 . . . . 0.0 110.583 177.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -60.07 -38.95 84.38 Favored 'General case' 0 C--O 1.224 -0.261 0 C-N-CA 124.746 1.218 . . . . 0.0 109.917 -178.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -63.71 -47.97 78.97 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.396 1.079 . . . . 0.0 110.875 177.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.38 -48.82 80.19 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.389 0.675 . . . . 0.0 109.853 176.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 24.4 mm -53.24 -46.92 57.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 171.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -42.99 -52.71 5.67 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 125.162 1.363 . . . . 0.0 111.416 169.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.1 tp -61.86 -47.3 85.64 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.705 -0.88 . . . . 0.0 111.317 177.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -55.23 -33.5 63.16 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.361 0.982 . . . . 0.0 112.068 174.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 52.4 mt -70.03 -44.55 78.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 123.497 0.719 . . . . 0.0 109.519 174.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.19 -31.88 62.69 Favored Glycine 0 CA--C 1.531 1.051 0 C-N-CA 125.241 1.401 . . . . 0.0 111.931 172.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.2 mm -67.58 -66.1 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 168.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -43.06 -82.79 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 127.398 2.279 . . . . 0.0 112.191 -178.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . 0.526 1.5 m-70 -70.36 22.27 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 120.923 3.675 . . . . 0.0 120.923 -167.033 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.1 mtmm -77.44 -50.59 12.37 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 103.116 -2.92 . . . . 0.0 103.116 159.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.447 ' CD2' HD12 ' A' ' 37' ' ' LEU . 29.6 m-85 -68.94 129.54 40.22 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 126.688 1.995 . . . . 0.0 107.547 174.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 93.4 p 57.26 40.52 27.79 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.763 0.792 . . . . 0.0 109.47 -167.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -138.18 -63.37 0.05 OUTLIER Glycine 0 C--N 1.337 0.621 0 C-N-CA 126.295 1.903 . . . . 0.0 108.758 177.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.6 48.11 0.19 Allowed 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.821 0.848 . . . . 0.0 112.115 171.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -173.09 130.77 0.48 Allowed 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 106.093 -1.817 . . . . 0.0 106.093 -176.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.65 -38.38 96.33 Favored Glycine 0 CA--C 1.528 0.896 0 CA-C-O 119.84 -0.422 . . . . 0.0 112.748 -169.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -60.43 174.06 0.61 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.155 1.382 . . . . 0.0 113.534 -169.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.7 128.68 1.52 Allowed 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 125.632 1.573 . . . . 0.0 112.889 -169.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -85.82 55.51 3.55 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 122.021 0.915 . . . . 0.0 110.901 -171.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 66.5 p -138.8 152.06 47.57 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 130.104 3.362 . . . . 0.0 102.895 168.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.4 mp -78.73 143.19 36.43 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 106.709 -1.589 . . . . 0.0 106.709 175.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.8 p -95.28 -85.79 0.31 Allowed 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 106.261 -1.755 . . . . 0.0 106.261 172.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.42 -51.21 0.69 Allowed 'General case' 0 N--CA 1.448 -0.525 0 C-N-CA 126.933 2.093 . . . . 0.0 107.779 168.329 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -44.28 -48.94 9.55 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 119.145 0.884 . . . . 0.0 112.192 -173.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.0 mp0 -62.38 -40.24 95.83 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 124.878 1.271 . . . . 0.0 109.837 -177.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.09 -46.46 74.19 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 178.062 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 46.1 mmtt -65.86 -19.09 65.76 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 121.538 -0.726 . . . . 0.0 111.675 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -73.32 -59.73 2.57 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 121.845 0.831 . . . . 0.0 109.254 168.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.447 HD12 ' CD2' ' A' ' 19' ' ' TYR . 7.3 tt -49.36 -58.12 5.67 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 128.159 2.583 . . . . 0.0 113.757 -178.215 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -31.18 -59.7 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.23 0.057 0 C-N-CA 128.011 2.524 . . . . 0.0 113.931 -168.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -57.57 -49.55 76.02 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.696 0.798 . . . . 0.0 111.863 -168.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.14 -35.95 11.68 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 -172.375 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -91.51 -29.08 17.19 Favored 'General case' 0 CA--C 1.528 0.111 0 N-CA-C 118.248 2.684 . . . . 0.0 118.248 -163.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.8 mt -69.59 22.32 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 116.097 1.888 . . . . 0.0 116.097 -168.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.1 m 50.53 58.88 5.02 Favored 'General case' 0 C--O 1.224 -0.25 0 C-N-CA 125.941 1.697 . . . . 0.0 110.932 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.437 ' H ' HD12 ' A' ' 44' ' ' ILE . 3.2 mp -80.24 74.02 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-O 123.164 1.459 . . . . 0.0 108.2 -177.223 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 53.38 -149.49 13.11 Favored Glycine 0 CA--C 1.527 0.792 0 C-N-CA 127.242 2.353 . . . . 0.0 111.902 174.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.3 m -74.86 50.04 0.44 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.795 1.238 . . . . 0.0 112.13 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -152.97 -49.97 0.1 Allowed 'General case' 0 CA--C 1.521 -0.173 0 C-N-CA 126.562 1.945 . . . . 0.0 108.055 169.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . 0.271 1.1 pt? 42.27 50.76 4.57 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 124.254 1.021 . . . . 0.0 111.648 -170.166 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 34.2 tp60 -165.52 101.36 0.71 Allowed 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 106.041 -1.837 . . . . 0.0 106.041 170.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -139.92 -175.13 4.12 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 124.983 1.313 . . . . 0.0 108.239 -175.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -164.05 -176.61 4.59 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.729 0.812 . . . . 0.0 109.192 -172.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 16.21 -57.56 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.288 1 C-N-CA 134.278 5.031 . . . . 0.0 117.024 179.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 69.2 mt -50.04 -46.77 24.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 124.483 1.113 . . . . 0.0 109.175 172.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 38.4 t -72.94 -40.26 59.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 177.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -52.61 -39.26 61.47 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.842 0.857 . . . . 0.0 111.02 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.5 tp -51.49 -39.8 58.27 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 121.792 -0.567 . . . . 0.0 111.37 174.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.7 mmt -86.46 -40.59 15.17 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.093 0.957 . . . . 0.0 110.53 -176.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -48.91 -33.41 10.74 Favored 'General case' 0 CA--C 1.517 -0.293 0 C-N-CA 124.376 1.071 . . . . 0.0 112.333 -174.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.78 -4.74 1.61 Allowed 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 -173.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.0 mp -54.76 -19.72 6.93 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.08 -1.012 . . . . 0.0 111.002 165.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.83 -18.61 3.43 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.038 1.335 . . . . 0.0 112.896 168.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 55.4 ttm-85 -65.59 -6.69 11.75 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.269 1.427 . . . . 0.0 113.185 169.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -29.22 -73.54 0.03 OUTLIER 'General case' 0 C--N 1.339 0.152 0 C-N-CA 128.368 2.667 . . . . 0.0 116.987 -171.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -130.0 131.05 45.74 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -169.431 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.264 0.4 OUTLIER 66.28 -48.76 0.43 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 129.577 3.151 . . . . 0.0 113.542 -179.108 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? 146.41 -54.59 0.01 OUTLIER 'General case' 0 C--O 1.231 0.112 0 C-N-CA 128.9 2.88 . . . . 0.0 109.064 -169.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -77.79 167.08 22.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.979 0.895 . . . . 0.0 112.593 -170.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 58.7 t -140.03 94.43 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 C-N-CA 126.66 1.984 . . . . 0.0 107.954 -172.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -78.68 -176.21 4.77 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 124.773 1.229 . . . . 0.0 108.575 168.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -58.64 -42.38 88.19 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-O 119.123 -0.465 . . . . 0.0 110.738 -178.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -53.63 -57.13 11.88 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-N 118.197 0.453 . . . . 0.0 110.014 177.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -56.92 -56.11 25.85 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.114 0.966 . . . . 0.0 110.446 -178.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -48.76 -51.68 27.75 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 123.64 0.776 . . . . 0.0 110.052 178.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.7 mm -62.61 -53.23 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -178.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 60.7 m -50.98 -48.86 61.13 Favored 'General case' 0 CA--C 1.52 -0.18 0 C-N-CA 124.529 1.132 . . . . 0.0 108.792 -175.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -58.23 -60.29 3.98 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 114.284 -1.325 . . . . 0.0 111.691 176.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.13 -42.08 76.36 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 120.99 0.424 . . . . 0.0 109.948 -176.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -63.48 -45.0 95.84 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 124.749 1.166 . . . . 0.0 113.404 177.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.27 -47.6 75.24 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 118.099 0.95 . . . . 0.0 109.485 174.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 70.6 mt -61.0 -41.0 95.67 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 116.768 -0.197 . . . . 0.0 110.762 174.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.27 -43.13 87.79 Favored 'General case' 0 N--CA 1.457 -0.102 0 O-C-N 121.423 -0.798 . . . . 0.0 112.688 -179.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 42.1 mtm -57.01 -18.95 15.83 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 118.056 -0.973 . . . . 0.0 112.744 173.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 30.8 mm -90.33 -70.64 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 119.488 1.04 . . . . 0.0 108.863 169.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 25.7 p90 -56.66 -38.44 72.19 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 121.1 -1.0 . . . . 0.0 112.268 -169.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.56 26.08 3.2 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.646 1.578 . . . . 0.0 113.243 179.279 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -16.28 -46.19 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 129.04 2.936 . . . . 0.0 117.986 -169.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.892 ' O ' ' OXT' ' A' ' 90' ' ' GLY . . . -28.8 -40.83 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 126.883 2.073 . . . . 0.0 114.899 173.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.483 ' H ' HD12 ' A' ' 88' ' ' LEU . 7.3 mp -41.53 -51.25 3.93 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 123.981 0.912 . . . . 0.0 112.129 172.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 22.8 mtmm -87.47 -42.22 12.95 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.646 1.178 . . . . 0.0 109.184 178.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.892 ' OXT' ' O ' ' A' ' 87' ' ' ALA . . . . . . . . 0 C--O 1.271 2.456 0 N-CA-C 110.369 -1.092 . . . . 0.0 110.369 171.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.7 ptm . . . . . 0 N--CA 1.45 -0.439 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -163.57 51.3 0.15 Allowed 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.504 1.122 . . . . 0.0 108.737 -177.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.62 167.97 32.11 Favored Pre-proline 0 CA--C 1.541 0.63 0 C-N-CA 125.7 1.6 . . . . 0.0 109.357 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -58.8 144.08 98.64 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 CA-C-N 120.508 1.217 . . . . 0.0 109.39 169.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 43.4 tp 73.21 -56.41 0.66 Allowed 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 127.438 2.295 . . . . 0.0 110.791 -173.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -42.04 -51.0 4.63 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.797 1.639 . . . . 0.0 110.169 171.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -41.01 -54.63 2.74 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.83 1.252 . . . . 0.0 113.352 169.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.85 -46.76 74.06 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 123.021 0.528 . . . . 0.0 109.979 -174.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.7 mp -52.93 -50.4 44.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 173.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.99 -56.24 9.11 Favored Glycine 0 CA--C 1.526 0.743 0 C-N-CA 125.515 1.531 . . . . 0.0 111.522 174.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 58.7 tp -57.96 -49.28 77.33 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.032 0.916 . . . . 0.0 110.71 179.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 45.0 mt -56.9 -41.06 77.42 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.008 0.523 . . . . 0.0 111.215 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 58.9 mt -66.64 -46.15 86.69 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.124 0 C-N-CA 123.368 0.667 . . . . 0.0 110.225 174.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.46 -55.68 27.32 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 109.918 -1.273 . . . . 0.0 109.918 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 4.3 tp -64.9 -46.23 92.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-O 118.78 -0.629 . . . . 0.0 109.901 -177.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -42.97 -57.12 2.99 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 119.157 0.889 . . . . 0.0 110.586 169.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -74.52 -32.68 62.56 Favored 'General case' 0 N--CA 1.434 -1.23 0 CA-C-O 118.215 -0.898 . . . . 0.0 112.667 -168.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 3.6 tpmp? -69.14 -31.2 69.7 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 119.14 -1.024 . . . . 0.0 113.607 -172.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -77.69 69.11 3.88 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 119.346 0.975 . . . . 0.0 110.749 178.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 9.1 p -133.26 38.29 3.32 Favored 'General case' 0 N--CA 1.442 -0.849 0 C-N-CA 125.947 1.699 . . . . 0.0 110.011 -172.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 39.94 75.44 0.11 Allowed Glycine 0 C--N 1.339 0.728 0 C-N-CA 125.921 1.724 . . . . 0.0 114.867 168.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 20.8 ttpp 40.13 -95.05 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 127.541 2.336 . . . . 0.0 114.003 168.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 53.2 mp0 -56.93 108.06 0.47 Allowed 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 124.423 1.089 . . . . 0.0 110.154 -178.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.1 121.05 0.06 OUTLIER Glycine 0 CA--C 1.527 0.832 0 C-N-CA 125.127 1.346 . . . . 0.0 110.757 178.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -74.0 73.15 1.67 Allowed 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 121.734 0.778 . . . . 0.0 109.791 178.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -34.36 104.29 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 128.48 2.712 . . . . 0.0 110.217 174.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 35.1 m170 -57.89 -48.43 79.88 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 123.16 0.584 . . . . 0.0 111.693 -172.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 24.4 p -97.65 134.83 40.32 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 105.296 -2.113 . . . . 0.0 105.296 169.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.23 138.36 32.4 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 119.185 0.902 . . . . 0.0 109.686 -172.159 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.7 m -80.66 39.97 0.5 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.762 1.225 . . . . 0.0 111.008 -174.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.49 -67.03 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 127.105 2.162 . . . . 0.0 113.953 -171.019 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 15.1 tptp -53.96 -29.71 43.89 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 119.275 0.943 . . . . 0.0 112.034 -174.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -66.57 -54.45 23.53 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 173.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.455 ' O ' HD13 ' B' ' 34' ' ' LEU . 1.8 tm? -61.6 -34.62 75.94 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.772 -0.58 . . . . 0.0 110.95 -178.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -43.12 -41.01 3.46 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.658 1.183 . . . . 0.0 111.102 174.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.91 -26.39 65.08 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -178.111 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 tt -71.43 -64.95 0.82 Allowed 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.747 1.219 . . . . 0.0 107.986 172.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 3.4 tp -56.13 -48.62 78.87 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 C-N-CA 123.245 0.618 . . . . 0.0 112.286 -171.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -55.85 -31.94 63.18 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 118.382 0.537 . . . . 0.0 112.021 -173.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -93.75 -101.07 0.14 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.618 1.167 . . . . 0.0 113.225 -178.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 9.7 pm0 -63.08 -36.1 82.46 Favored 'General case' 0 C--N 1.342 0.266 0 N-CA-C 116.443 2.016 . . . . 0.0 116.443 -165.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 15.4 mt -59.72 -68.41 0.29 Allowed 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 119.924 1.238 . . . . 0.0 111.636 -169.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.78 -7.01 30.02 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 115.202 1.556 . . . . 0.0 115.202 -168.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 pp -89.17 -5.23 10.59 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.15 0 CA-C-N 118.836 0.744 . . . . 0.0 112.976 177.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -54.0 120.93 16.82 Favored Glycine 0 CA--C 1.533 1.187 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 176.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 70.7 m 51.57 31.8 8.15 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.327 1.851 . . . . 0.0 113.63 -172.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -133.77 -19.67 2.05 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.937 1.695 . . . . 0.0 111.592 169.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 3.2 tt 76.71 -61.51 0.44 Allowed 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 125.557 1.543 . . . . 0.0 110.94 171.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -162.07 89.34 0.71 Allowed 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 121.616 -0.678 . . . . 0.0 111.016 -176.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -137.06 155.36 49.75 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 105.773 -1.936 . . . . 0.0 105.773 168.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -130.73 -13.27 3.72 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 126.066 1.746 . . . . 0.0 111.96 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -55.78 -45.55 78.14 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 119.948 1.249 . . . . 0.0 111.167 -169.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -60.16 -33.47 53.52 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 C-N-CA 123.734 0.814 . . . . 0.0 113.041 177.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 69.5 t -52.81 -47.93 50.85 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.248 0 C-N-CA 123.214 0.606 . . . . 0.0 110.959 -169.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.46 -21.65 62.58 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -173.135 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 10.0 tt -92.34 -50.38 5.67 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.613 0.765 . . . . 0.0 109.57 172.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 53.4 mtt -65.19 -47.46 76.84 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 119.486 -0.292 . . . . 0.0 111.771 -169.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -29.72 -61.93 0.14 Allowed 'General case' 0 CA--C 1.513 -0.457 0 C-N-CA 127.335 2.254 . . . . 0.0 113.954 -174.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -91.93 16.92 10.03 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 114.755 1.391 . . . . 0.0 114.755 -169.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 85.1 mt -80.36 -7.86 59.26 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.692 -0.63 . . . . 0.0 112.591 171.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 29.0 p-10 -72.89 -32.89 65.68 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 124.08 0.952 . . . . 0.0 109.072 169.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.48 25.17 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 126.494 1.918 . . . . 0.0 114.613 174.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -56.34 -100.9 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 127.131 2.172 . . . . 0.0 116.01 -168.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.87 86.41 3.28 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-N 120.345 1.429 . . . . 0.0 110.562 -168.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 2.3 p30 60.08 -23.59 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 118.725 2.861 . . . . 0.0 118.725 167.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 25.5 pt20 -85.27 51.15 2.1 Favored 'General case' 0 C--N 1.332 -0.187 0 O-C-N 120.748 -1.22 . . . . 0.0 112.485 -166.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 43.48 -96.27 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 126.128 1.771 . . . . 0.0 109.668 -168.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 45.3 t -156.72 135.49 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 C-N-CA 128.101 2.56 . . . . 0.0 104.288 166.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -148.4 179.08 8.06 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 173.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -54.71 -38.37 66.99 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-O 118.446 -0.788 . . . . 0.0 112.118 -170.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -56.44 -57.78 10.85 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 118.946 0.793 . . . . 0.0 109.027 177.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -63.97 -47.47 80.29 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 121.897 -0.502 . . . . 0.0 110.559 -176.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -51.58 -46.43 63.47 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.002 0.921 . . . . 0.0 111.609 176.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 4.0 tp -81.39 -40.63 18.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 O-C-N 121.819 -0.551 . . . . 0.0 110.206 -172.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 56.1 m -49.26 -52.34 27.93 Favored 'General case' 0 C--N 1.341 0.219 0 C-N-CA 124.129 0.972 . . . . 0.0 108.905 169.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -52.36 -61.76 2.07 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.801 1.64 . . . . 0.0 109.901 174.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -45.3 -52.58 9.55 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 118.407 0.549 . . . . 0.0 111.094 178.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.97 -54.53 33.14 Favored Glycine 0 CA--C 1.533 1.187 0 C-N-CA 123.315 0.483 . . . . 0.0 112.717 176.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.3 -54.16 47.56 Favored 'General case' 0 N--CA 1.457 -0.094 0 C-N-CA 123.141 0.576 . . . . 0.0 110.24 -175.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 9.2 mp -54.92 -50.65 68.29 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 124.455 1.102 . . . . 0.0 109.303 177.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.85 -46.32 78.23 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 123.35 0.66 . . . . 0.0 111.343 -177.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . 0.427 ' HG2' HD11 ' B' ' 88' ' ' LEU . 53.1 mtm -52.53 -24.62 8.45 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 119.066 0.848 . . . . 0.0 113.163 175.095 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 38.4 mm -90.83 -70.53 0.56 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-N 119.035 0.834 . . . . 0.0 110.287 171.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -65.75 -36.42 83.51 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 120.966 -1.084 . . . . 0.0 111.796 -169.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -91.12 26.74 2.06 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.861 2.065 . . . . 0.0 110.453 176.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -14.81 -66.55 0.01 OUTLIER 'General case' 0 C--O 1.238 0.466 0 C-N-CA 130.746 3.618 . . . . 0.0 114.228 -169.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -38.61 -36.86 0.28 Allowed 'General case' 0 C--O 1.232 0.176 0 C-N-CA 126.233 1.813 . . . . 0.0 113.252 -175.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.478 ' C ' HD12 ' B' ' 88' ' ' LEU . 0.5 OUTLIER -55.02 -25.54 30.99 Favored 'General case' 0 C--N 1.339 0.149 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 -175.896 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 33.5 mtmm -56.87 -33.93 67.34 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.699 0.681 . . . . 0.0 111.615 176.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.38 0 C-N-CA 124.249 0.928 . . . . 0.0 111.808 174.112 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.7 tpt . . . . . 0 N--CA 1.45 -0.463 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.43 -38.67 0.04 OUTLIER 'General case' 0 C--O 1.228 -0.063 0 C-N-CA 123.686 0.794 . . . . 0.0 112.212 178.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.1 t -168.05 123.92 0.84 Allowed Pre-proline 0 C--N 1.329 -0.297 0 C-N-CA 124.486 1.115 . . . . 0.0 108.411 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -44.67 -42.58 14.7 Favored 'Trans proline' 0 N--CA 1.454 -0.845 0 C-N-CA 123.272 2.648 . . . . 0.0 112.316 172.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 50.6 tp -60.72 -56.88 15.99 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 122.547 0.339 . . . . 0.0 110.28 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -54.71 -45.93 74.1 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 123.002 0.521 . . . . 0.0 111.079 -178.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.62 -52.83 48.96 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.253 -0.431 . . . . 0.0 109.984 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.94 -53.78 54.41 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.37 0.668 . . . . 0.0 111.464 -177.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.6 mm -55.48 -50.78 63.6 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.068 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 173.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -42.03 -51.87 5.02 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 123.401 0.524 . . . . 0.0 112.435 174.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.1 mt -55.31 -27.17 45.13 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 118.195 -0.907 . . . . 0.0 113.172 -178.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -59.69 -39.83 85.87 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 120.678 1.581 . . . . 0.0 110.312 174.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.662 HD12 ' HB3' ' B' ' 88' ' ' LEU . 1.5 mt -82.51 -31.24 9.56 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 CA-C-N 118.129 0.422 . . . . 0.0 110.199 172.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.77 -55.45 28.87 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 121.109 -0.994 . . . . 0.0 111.533 177.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.6 mm -52.2 -65.83 0.26 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.175 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 176.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.443 ' CD1' HD23 ' A' ' 29' ' ' LEU . 7.7 t80 -28.77 -65.36 0.09 Allowed 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 126.121 1.768 . . . . 0.0 111.404 170.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . 0.358 1.9 m-70 -76.94 -8.19 56.94 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 117.09 2.255 . . . . 0.0 117.09 -175.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -56.76 -42.89 80.14 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 121.223 1.828 . . . . 0.0 108.045 166.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.504 ' CD2' HD12 ' A' ' 37' ' ' LEU . 94.4 m-85 -73.34 3.84 5.39 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.896 0.878 . . . . 0.0 112.892 -177.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 38.6 m -87.26 -9.54 54.76 Favored 'General case' 0 N--CA 1.455 -0.198 0 O-C-N 121.492 -0.755 . . . . 0.0 111.663 168.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.14 -52.67 34.62 Favored Glycine 0 CA--C 1.532 1.104 0 CA-C-N 118.915 0.779 . . . . 0.0 113.556 -169.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.437 ' NZ ' ' OE2' ' A' ' 33' ' ' GLU . 6.0 mtpm? -82.1 -142.12 0.05 Allowed 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 -168.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -76.32 113.99 14.51 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 126.148 1.779 . . . . 0.0 108.551 -169.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 139.67 -164.65 26.0 Favored Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 109.077 -1.609 . . . . 0.0 109.077 177.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.402 ' OD2' ' NE2' ' A' ' 27' ' ' HIS . 14.2 t70 -70.12 -176.2 1.11 Allowed 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.227 1.011 . . . . 0.0 111.821 -174.026 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -138.29 -26.71 0.9 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.909 1.684 . . . . 0.0 113.479 178.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.402 ' NE2' ' OD2' ' A' ' 25' ' ' ASP . 23.6 p80 -72.15 -35.29 69.02 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 120.467 1.485 . . . . 0.0 107.95 168.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.44 172.54 6.92 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 127.466 2.306 . . . . 0.0 107.189 167.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.443 HD23 ' CD1' ' A' ' 16' ' ' PHE . 4.0 pp -112.14 -179.81 3.79 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 120.955 -1.091 . . . . 0.0 109.361 173.221 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.4 t -109.4 144.59 37.4 Favored 'General case' 0 C--N 1.343 0.325 0 CA-C-N 119.195 0.907 . . . . 0.0 112.994 -177.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.5 pttm -56.55 -37.42 70.5 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.674 1.189 . . . . 0.0 112.613 -175.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -62.5 -54.35 41.28 Favored 'General case' 0 CA--C 1.528 0.125 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 -177.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.437 ' OE2' ' NZ ' ' A' ' 22' ' ' LYS . 21.2 mp0 -60.57 -41.43 94.59 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 124.507 1.123 . . . . 0.0 109.078 179.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 26.7 tp -50.73 -38.91 50.16 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 120.805 -1.184 . . . . 0.0 111.987 172.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.401 ' NZ ' ' OD1' ' A' ' 59' ' ' ASP . 35.6 mttm -72.48 -17.29 61.77 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.519 -0.738 . . . . 0.0 111.67 178.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -77.49 -41.16 40.46 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.232 -0.917 . . . . 0.0 108.681 166.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.504 HD12 ' CD2' ' A' ' 19' ' ' TYR . 3.6 tt -54.66 -63.92 1.0 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.172 1.389 . . . . 0.0 110.024 179.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.6 tt -44.38 -44.22 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 C-N-CA 124.338 1.055 . . . . 0.0 112.792 -171.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -55.09 -48.97 72.83 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 123.551 0.74 . . . . 0.0 111.922 -174.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.23 -86.66 0.25 Allowed 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 117.932 0.333 . . . . 0.0 111.793 -176.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -50.32 -45.01 54.49 Favored 'General case' 0 C--O 1.232 0.132 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 -167.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.9 mt -69.37 -1.54 8.59 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -175.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.5 m 63.64 31.77 14.31 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.48 1.037 . . . . 0.0 111.334 167.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.5 tp -60.36 -36.65 70.45 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 O-C-N 121.33 -0.856 . . . . 0.0 110.961 -178.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -46.29 -38.11 8.65 Favored Glycine 0 CA--C 1.53 0.991 0 C-N-CA 125.124 1.345 . . . . 0.0 113.208 -179.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.5 m -59.2 -12.65 5.6 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 -179.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -59.92 -33.14 71.49 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 118.736 0.698 . . . . 0.0 111.19 169.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 71.8 mt 65.46 -66.04 0.15 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 126.831 2.052 . . . . 0.0 112.049 -176.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -79.48 53.28 1.52 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.904 1.282 . . . . 0.0 110.081 -177.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -85.14 -173.27 4.61 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.847 0.859 . . . . 0.0 109.579 171.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -178.95 157.46 0.87 Allowed 'General case' 0 C--O 1.224 -0.238 0 C-N-CA 126.085 1.754 . . . . 0.0 108.11 -175.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.88 -54.22 13.3 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.927 0.785 . . . . 0.0 111.849 173.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 20.6 pt -61.01 -34.04 58.29 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 O-C-N 121.057 -1.027 . . . . 0.0 111.481 176.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.6 t -70.23 -35.87 65.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 O-C-N 121.545 -0.722 . . . . 0.0 109.65 178.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.29 -39.9 93.13 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 121.5 -0.75 . . . . 0.0 110.047 174.322 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 tt -55.11 -48.9 72.97 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 169.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 41.7 tpp -57.87 -40.62 80.61 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.246 -0.909 . . . . 0.0 111.767 176.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.46 ' C ' ' H ' ' A' ' 60' ' ' LEU . 61.2 m-20 -70.13 -0.44 7.76 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 113.93 1.085 . . . . 0.0 113.93 176.017 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.401 ' OD1' ' NZ ' ' A' ' 35' ' ' LYS . 0.5 OUTLIER -68.93 27.92 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 119.404 1.002 . . . . 0.0 111.221 168.024 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.46 ' H ' ' C ' ' A' ' 58' ' ' ASP . 84.8 mt -56.3 -23.85 39.46 Favored 'General case' 0 C--N 1.344 0.365 0 C-N-CA 126.561 1.944 . . . . 0.0 111.92 -175.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -52.8 -22.92 5.93 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 123.875 0.87 . . . . 0.0 111.579 169.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.1 ptp85 -53.54 -18.36 2.77 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 172.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -28.03 -63.03 0.1 Allowed 'General case' 0 C--N 1.345 0.373 0 C-N-CA 128.121 2.568 . . . . 0.0 114.008 -173.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.77 -53.52 0.14 Allowed 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 169.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -68.53 -43.73 76.08 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 119.312 -0.375 . . . . 0.0 111.312 -169.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 70.08 -63.15 0.41 Allowed 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 126.292 1.837 . . . . 0.0 110.301 -178.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.03 71.2 1.08 Allowed 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 105.182 -2.155 . . . . 0.0 105.182 165.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.429 HG22 HD11 ' A' ' 29' ' ' LEU . 35.0 m -59.96 155.0 3.51 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 -167.261 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -103.74 176.85 5.02 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 127.785 2.434 . . . . 0.0 106.811 168.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -57.58 -48.64 78.81 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 -175.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . 0.308 0.0 OUTLIER -54.72 -43.14 72.33 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 118.228 -0.892 . . . . 0.0 113.021 179.436 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -70.68 -46.04 63.93 Favored 'General case' 0 C--O 1.227 -0.099 0 CA-C-N 119.957 1.253 . . . . 0.0 111.487 177.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -46.22 -48.04 17.82 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.194 0.598 . . . . 0.0 110.033 172.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 14.2 mm -66.57 -53.6 33.99 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 CA-C-O 118.916 -0.564 . . . . 0.0 111.269 177.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 64.9 m -47.24 -48.46 24.38 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.857 0.837 . . . . 0.0 109.538 -179.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -57.82 -62.39 1.84 Allowed 'General case' 0 N--CA 1.44 -0.95 0 C-N-CA 126.112 1.765 . . . . 0.0 111.211 175.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.75 -42.56 75.6 Favored 'General case' 0 C--N 1.339 0.137 0 CA-C-N 118.769 0.713 . . . . 0.0 110.92 -175.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -62.41 -47.73 87.33 Favored Glycine 0 CA--C 1.529 0.935 0 CA-C-O 119.34 -0.7 . . . . 0.0 112.486 175.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.82 -46.87 78.0 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.873 1.337 . . . . 0.0 110.453 176.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 73.9 mt -61.07 -46.29 91.29 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 122.548 0.339 . . . . 0.0 110.546 176.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.01 -41.02 74.26 Favored 'General case' 0 C--O 1.227 -0.121 0 C-N-CA 123.634 0.774 . . . . 0.0 111.177 177.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -53.13 -26.94 18.43 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 173.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 44.1 mt -89.2 -68.82 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 173.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 19.6 p90 -66.83 -38.07 85.71 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 112.778 0.658 . . . . 0.0 112.778 -168.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -91.56 23.57 3.44 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.893 1.277 . . . . 0.0 111.621 -176.406 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -45.84 137.91 5.23 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-O 122.44 1.114 . . . . 0.0 111.748 -176.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 150.19 33.01 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.582 1 C-N-CA 133.335 4.654 . . . . 0.0 108.032 -171.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -157.85 -18.06 0.08 Allowed 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 -172.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 10.9 mtmm -104.66 -70.92 0.76 Allowed 'General case' 0 C--N 1.34 0.177 0 N-CA-C 107.718 -1.215 . . . . 0.0 107.718 167.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.375 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 -174.993 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 56.6 ttp . . . . . 0 CA--C 1.536 0.411 0 CA-C-O 118.185 -0.912 . . . . 0.0 112.631 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.8 -33.55 0.09 Allowed 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 116.131 1.9 . . . . 0.0 116.131 -168.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.38 172.66 8.15 Favored Pre-proline 0 CA--C 1.538 0.49 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 177.305 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_exo -48.4 -62.64 0.4 Allowed 'Trans proline' 0 CA--C 1.539 0.732 0 C-N-CA 122.391 2.061 . . . . 0.0 114.91 -169.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 82.8 mt -63.75 -53.35 52.45 Favored 'General case' 0 CA--C 1.528 0.098 0 CA-C-O 120.822 0.344 . . . . 0.0 110.332 -174.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -59.46 -37.18 77.49 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.293 1.437 . . . . 0.0 111.972 -178.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -66.56 -51.17 59.47 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 121.409 -0.807 . . . . 0.0 109.806 174.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.04 -51.59 69.04 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 121.241 0.543 . . . . 0.0 110.653 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 95.2 mt -56.5 -47.26 82.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 175.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.2 -52.18 18.52 Favored Glycine 0 CA--C 1.53 0.975 0 C-N-CA 124.213 0.911 . . . . 0.0 112.127 173.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 63.3 tp -57.86 -49.82 75.39 Favored 'General case' 0 CA--C 1.529 0.168 0 O-C-N 121.875 -0.779 . . . . 0.0 109.948 178.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 65.8 mt -57.8 -41.9 83.07 Favored 'General case' 0 CA--C 1.535 0.404 0 O-C-N 122.185 -0.322 . . . . 0.0 111.457 178.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 91.2 mt -60.58 -43.35 94.43 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.127 0 C-N-CA 124.271 1.028 . . . . 0.0 109.553 174.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.76 -59.24 11.2 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 176.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 32.9 mm -54.28 -47.07 68.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 122.99 0.516 . . . . 0.0 110.104 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -51.13 -74.89 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.668 1.187 . . . . 0.0 110.982 171.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -84.49 10.39 11.01 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 116.861 2.171 . . . . 0.0 116.861 -168.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -57.94 -46.69 84.67 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 106.18 -1.785 . . . . 0.0 106.18 164.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -61.57 131.36 49.81 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 114.236 -1.347 . . . . 0.0 109.913 169.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 13.7 p -169.95 -13.74 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 114.82 -1.082 . . . . 0.0 113.488 -166.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.41 -64.7 3.49 Favored Glycine 0 C--N 1.34 0.75 0 C-N-CA 127.7 2.572 . . . . 0.0 111.694 171.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.6 pttp 169.94 -114.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 130.444 3.498 . . . . 0.0 104.151 -176.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -53.4 55.35 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 120.488 1.494 . . . . 0.0 109.631 169.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 31.67 -118.09 0.11 Allowed Glycine 0 CA--C 1.527 0.793 0 C-N-CA 128.211 2.815 . . . . 0.0 113.202 169.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -128.49 162.1 28.0 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 169.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 30.1 mmtm -131.44 -19.66 2.72 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 127.198 2.199 . . . . 0.0 111.83 -178.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 15.4 p-80 -93.01 -33.89 13.94 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 169.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.9 169.87 8.23 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 125.757 1.623 . . . . 0.0 109.77 174.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 40.4 mt -98.26 134.02 41.86 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 168.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 5.7 m -75.81 67.47 2.23 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.521 0.729 . . . . 0.0 111.916 -175.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 49.0 mttm 42.94 -78.01 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 128.925 2.89 . . . . 0.0 115.296 174.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -43.89 -47.42 8.34 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 124.467 1.107 . . . . 0.0 109.405 175.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -43.48 -59.11 2.28 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 125.055 1.342 . . . . 0.0 111.291 173.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -62.78 -44.5 96.01 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 123.443 0.697 . . . . 0.0 110.111 -178.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -61.91 -19.22 62.46 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.736 -0.602 . . . . 0.0 112.001 177.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -82.58 -48.0 11.48 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.451 1.023 . . . . 0.0 110.675 169.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 tt -44.58 -51.29 9.13 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 126.184 1.794 . . . . 0.0 110.269 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 21.2 pt -56.6 -38.03 55.16 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.102 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -71.83 -58.1 3.76 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 -175.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.39 -71.22 0.63 Allowed 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.757 -171.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 43.0 mp0 -59.07 -37.47 77.16 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.256 1.023 . . . . 0.0 113.536 -169.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 17.7 mt -70.35 -0.99 9.22 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 119.849 1.204 . . . . 0.0 113.308 175.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m 92.1 -2.28 0.16 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 126.552 1.941 . . . . 0.0 111.857 169.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 28.7 mt -58.9 -56.28 17.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-N 119.589 1.086 . . . . 0.0 110.292 -172.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -58.13 -53.44 45.61 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 175.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.2 m -52.6 -36.99 57.35 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.608 1.563 . . . . 0.0 112.682 -177.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.19 -12.14 60.45 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.275 1.43 . . . . 0.0 112.028 178.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 39.7 mt 75.82 157.97 0.2 Allowed 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 127.515 2.326 . . . . 0.0 112.141 174.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . 0.303 0.0 OUTLIER 41.95 59.79 2.45 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.415 1.486 . . . . 0.0 112.298 -168.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -60.82 162.8 6.34 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 114.714 -1.13 . . . . 0.0 108.724 168.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -141.66 150.44 41.92 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.673 1.189 . . . . 0.0 109.941 -176.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -62.37 -32.52 73.33 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 171.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 79.2 mt -49.39 -55.16 4.71 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 C-N-CA 124.333 1.053 . . . . 0.0 110.777 170.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.7 m -71.83 -42.9 69.74 Favored 'Isoleucine or valine' 0 C--N 1.342 0.254 0 C-N-CA 119.017 -1.073 . . . . 0.0 110.979 -170.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 39.0 mtmm -56.68 -49.96 73.54 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 120.88 0.372 . . . . 0.0 110.476 173.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 62.5 tp -57.9 -38.69 76.27 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 123.569 0.748 . . . . 0.0 110.541 177.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 43.0 tpp -59.66 -63.14 1.41 Allowed 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 118.839 0.745 . . . . 0.0 109.388 171.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -66.4 -16.5 64.14 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 115.154 1.539 . . . . 0.0 115.154 -168.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -63.73 0.82 0.72 Allowed 'General case' 0 CA--C 1.557 1.223 0 O-C-N 121.437 -0.789 . . . . 0.0 111.341 166.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.7 pp -48.73 -12.59 0.04 OUTLIER 'General case' 0 C--N 1.345 0.384 0 C-N-CA 127.712 2.405 . . . . 0.0 114.541 169.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -47.24 -26.99 1.34 Allowed 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 120.155 1.343 . . . . 0.0 110.157 165.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 7.8 ptp85 -54.89 -12.88 0.9 Allowed 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 114.028 1.121 . . . . 0.0 114.028 175.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 -29.04 -49.55 0.08 Allowed 'General case' 0 C--N 1.342 0.252 0 C-N-CA 128.677 2.791 . . . . 0.0 113.683 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 18.7 pttm -150.32 -52.26 0.14 Allowed 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.422 0.289 . . . . 0.0 111.076 -174.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -114.66 -46.64 2.94 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.418 1.087 . . . . 0.0 112.944 -168.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . 0.313 4.3 pt20 43.68 41.38 3.54 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.963 0.905 . . . . 0.0 112.687 -164.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -107.45 69.24 0.74 Allowed 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 101.46 -3.533 . . . . 0.0 101.46 165.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 43.2 t -67.29 100.09 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.697 0 CA-C-O 122.584 1.183 . . . . 0.0 113.023 -166.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -88.34 -162.48 0.84 Allowed 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 104.663 -2.347 . . . . 0.0 104.663 164.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -63.81 -26.49 68.65 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 120.606 -1.308 . . . . 0.0 111.49 -176.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -60.29 -71.47 0.13 Allowed 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 118.703 -0.665 . . . . 0.0 112.266 -172.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -57.29 -41.7 80.29 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 120.186 1.357 . . . . 0.0 111.227 -175.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -44.65 -64.46 0.69 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.852 0.861 . . . . 0.0 110.314 170.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 3.6 tp -67.86 -30.62 48.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 O-C-N 121.494 -0.754 . . . . 0.0 110.798 -173.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 51.8 m -54.17 -53.98 45.98 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 118.774 -0.631 . . . . 0.0 110.522 170.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.74 -46.8 86.39 Favored 'General case' 0 C--N 1.343 0.315 0 C-N-CA 118.659 -1.217 . . . . 0.0 111.606 178.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 4.7 mp -48.12 -52.91 18.46 Favored 'General case' 0 C--N 1.343 0.316 0 CA-C-N 119.002 0.819 . . . . 0.0 109.905 175.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.67 -48.67 60.59 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 123.799 0.714 . . . . 0.0 112.591 176.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.71 -53.8 54.24 Favored 'General case' 0 CA--C 1.527 0.072 0 C-N-CA 123.463 0.705 . . . . 0.0 111.056 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 93.1 mt -60.62 -43.56 97.35 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 178.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -47.51 -53.58 13.93 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.968 1.307 . . . . 0.0 113.612 -169.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 93.5 mtp -49.2 -33.69 13.04 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 118.629 0.65 . . . . 0.0 111.683 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 37.7 mm -90.48 -73.39 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 C-N-CA 123.516 0.727 . . . . 0.0 109.917 177.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . 0.254 0.0 OUTLIER -74.92 -22.14 58.78 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 -168.036 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -93.7 22.78 5.2 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 123.729 0.812 . . . . 0.0 110.173 169.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -54.71 122.3 10.38 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 171.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . 150.2 -34.28 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.66 1 C-N-CA 134.128 4.971 . . . . 0.0 103.095 -163.422 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.662 ' HB3' HD12 ' A' ' 13' ' ' ILE . 83.7 mt -53.92 -13.25 0.71 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.618 0.767 . . . . 0.0 111.429 166.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . 0.3 2.4 ptpp? 59.35 63.17 1.62 Allowed 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 126.206 1.803 . . . . 0.0 109.924 178.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.269 2.337 0 C-N-CA 125.79 1.662 . . . . 0.0 109.158 -176.987 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpp? . . . . . 0 CA--C 1.532 0.259 0 N-CA-C 111.267 0.099 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.71 -158.25 0.89 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.878 0.871 . . . . 0.0 110.001 -177.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -52.97 150.51 10.09 Favored Pre-proline 0 CA--C 1.537 0.48 0 C-N-CA 126.176 1.791 . . . . 0.0 113.059 -172.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -55.35 -41.26 79.96 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 122.605 2.203 . . . . 0.0 111.725 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -54.23 -56.75 15.27 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.448 0.699 . . . . 0.0 110.011 173.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -51.75 -50.27 60.96 Favored 'General case' 0 C--O 1.224 -0.257 0 C-N-CA 123.864 0.866 . . . . 0.0 110.555 178.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -63.33 -49.24 74.73 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 117.541 0.155 . . . . 0.0 110.63 -177.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.68 -56.0 27.81 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.267 0.627 . . . . 0.0 110.794 -177.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.0 mm -58.3 -41.0 80.07 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 174.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.43 -45.25 11.45 Favored Glycine 0 CA--C 1.522 0.53 0 C-N-CA 127.076 2.274 . . . . 0.0 112.631 174.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 93.0 mt -54.64 -54.73 37.69 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 118.863 1.331 . . . . 0.0 110.075 175.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.38 -40.34 90.5 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.4 mt -61.32 -38.21 79.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 O-C-N 121.741 -0.6 . . . . 0.0 110.776 173.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.55 -61.48 6.99 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 109.427 -1.469 . . . . 0.0 109.427 174.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.1 mp -53.9 -42.19 52.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 178.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.42 ' CD1' ' HB2' ' A' ' 29' ' ' LEU . 52.0 t80 -44.4 -75.56 0.03 OUTLIER 'General case' 0 C--N 1.342 0.262 0 C-N-CA 124.147 0.979 . . . . 0.0 112.213 -170.279 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.22 -17.58 60.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 118.196 -0.907 . . . . 0.0 111.889 -178.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -54.05 -37.3 64.0 Favored 'General case' 0 C--N 1.346 0.427 0 CA-C-N 120.006 1.275 . . . . 0.0 109.187 169.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -74.69 52.85 0.53 Allowed 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 121.961 0.886 . . . . 0.0 110.92 172.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.1 m -122.76 -26.31 4.5 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 127.244 2.217 . . . . 0.0 109.905 167.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 148.74 -70.48 0.32 Allowed Glycine 0 CA--C 1.527 0.8 0 N-CA-C 108.746 -1.742 . . . . 0.0 108.746 -178.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -71.62 -175.08 1.25 Allowed 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 125.289 1.436 . . . . 0.0 110.948 -174.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.9 mp0 -74.18 -54.91 6.76 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 126.209 1.804 . . . . 0.0 112.545 -165.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.45 -77.41 1.31 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.537 -1.025 . . . . 0.0 110.537 -176.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' A' ' 26' ' ' LYS . 9.4 t0 61.31 172.65 0.11 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.453 1.501 . . . . 0.0 109.909 -170.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.401 ' N ' ' OD1' ' A' ' 25' ' ' ASP . 45.1 tttp -144.13 -16.07 0.59 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.637 1.575 . . . . 0.0 113.183 -174.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.2 p80 -88.48 -147.75 0.16 Allowed 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 120.502 1.501 . . . . 0.0 110.966 -172.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.2 p -58.41 165.86 1.94 Allowed 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 126.195 1.798 . . . . 0.0 111.057 169.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.42 ' HB2' ' CD1' ' A' ' 16' ' ' PHE . 5.6 tt -84.74 148.85 26.14 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 104.468 -2.419 . . . . 0.0 104.468 166.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.4 t -102.19 136.25 42.34 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.872 0.844 . . . . 0.0 111.107 -174.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.6 ptpp? -49.9 -23.65 2.07 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.28 -66.07 0.59 Allowed 'General case' 0 C--N 1.341 0.215 0 CA-C-N 119.597 1.09 . . . . 0.0 109.825 175.047 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.7 mp0 -62.3 -29.59 70.54 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -175.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 26.6 tp -46.91 -40.27 13.83 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 118.071 -0.966 . . . . 0.0 111.238 169.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.29 -40.21 47.8 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-N 119.526 1.057 . . . . 0.0 111.763 178.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -71.38 -51.07 26.07 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 -178.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 tt -52.62 -53.37 47.75 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.261 -1.336 . . . . 0.0 109.463 -173.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.4 pt -65.61 -14.39 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.125 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -173.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -94.42 -73.82 0.56 Allowed 'General case' 0 N--CA 1.449 -0.504 0 O-C-N 121.556 -0.715 . . . . 0.0 109.795 169.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -69.79 -67.23 0.5 Allowed 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.956 -167.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -64.14 -38.48 91.21 Favored 'General case' 0 CA--C 1.526 0.057 0 C-N-CA 122.16 0.184 . . . . 0.0 110.77 -170.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.4 mt -65.62 -54.7 24.12 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.38 173.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.4 m 72.51 148.07 0.09 Allowed 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.252 0.933 . . . . 0.0 111.85 -178.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 17.8 pt -83.86 49.6 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 O-C-N 120.658 -1.276 . . . . 0.0 109.974 168.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 27.93 -101.21 0.01 OUTLIER Glycine 0 CA--C 1.527 0.808 0 C-N-CA 127.267 2.365 . . . . 0.0 112.087 -169.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 45.9 m -149.55 52.94 0.94 Allowed 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 168.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 45.7 tptt 61.25 24.02 14.17 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.485 1.114 . . . . 0.0 111.884 -178.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.3 mt -73.49 115.88 13.4 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 121.272 -0.892 . . . . 0.0 109.337 -169.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 51.85 36.71 18.76 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.411 1.085 . . . . 0.0 110.698 -170.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.1 t0 59.12 82.7 0.14 Allowed 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.706 1.202 . . . . 0.0 110.775 -171.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.22 -41.97 72.75 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 114.451 -1.25 . . . . 0.0 111.474 -178.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -60.86 -52.03 66.79 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 119.013 0.824 . . . . 0.0 110.332 178.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 19.8 mm -60.45 -48.8 86.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 CA-C-N 118.262 0.483 . . . . 0.0 110.117 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.1 t -55.52 -48.38 77.4 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 O-C-N 121.744 -0.598 . . . . 0.0 110.305 176.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.6 tptp -60.7 -40.16 91.19 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.46 0.704 . . . . 0.0 110.219 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.7 tt -60.53 -48.4 81.95 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.368 0.667 . . . . 0.0 109.358 177.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 73.7 mtm -61.1 -52.23 65.78 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 120.905 0.384 . . . . 0.0 110.249 179.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -49.16 -44.59 42.89 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.859 1.263 . . . . 0.0 111.577 174.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -50.48 -33.99 23.36 Favored 'General case' 0 C--O 1.224 -0.255 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -173.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 67.9 mt -56.35 -29.33 61.24 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.305 1.042 . . . . 0.0 112.606 -173.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -60.29 -16.28 32.93 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.733 -0.604 . . . . 0.0 112.108 177.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -55.5 -22.54 21.58 Favored 'General case' 0 C--N 1.34 0.181 0 C-N-CA 124.394 1.077 . . . . 0.0 113.558 172.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -40.78 -50.72 3.15 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 114.336 1.236 . . . . 0.0 114.336 -176.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.1 pttm -79.78 18.75 0.74 Allowed 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 118.175 -0.917 . . . . 0.0 111.331 -174.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -28.5 -66.87 0.08 Allowed 'General case' 0 CA--C 1.509 -0.616 0 C-N-CA 127.425 2.29 . . . . 0.0 110.714 -178.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 50.7 -80.5 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.685 0 O-C-N 125.666 1.854 . . . . 0.0 108.952 -167.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -144.56 131.32 20.15 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 103.963 -2.606 . . . . 0.0 103.963 161.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.5 t -46.2 120.98 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 -163.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -102.15 147.72 26.28 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.559 1.544 . . . . 0.0 109.346 -170.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -63.1 -44.9 94.37 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-O 119.098 -0.477 . . . . 0.0 110.507 -170.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -46.98 -56.49 6.32 Favored 'General case' 0 C--O 1.223 -0.31 0 O-C-N 123.672 0.608 . . . . 0.0 109.564 175.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -55.71 -65.77 0.54 Allowed 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -40.3 -51.65 2.74 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.609 1.164 . . . . 0.0 112.103 -178.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 5.8 tp -81.42 -34.91 13.54 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 123.122 0.569 . . . . 0.0 112.175 -174.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 45.9 m -56.42 -47.43 79.07 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 172.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -64.7 -59.59 4.08 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 128.211 2.604 . . . . 0.0 109.424 -174.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 19.7 mt -46.99 -45.6 21.11 Favored 'General case' 0 C--N 1.343 0.319 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 169.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.54 -53.81 40.79 Favored Glycine 0 CA--C 1.527 0.826 0 C-N-CA 125.51 1.529 . . . . 0.0 113.096 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.02 -47.97 81.46 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.063 0.945 . . . . 0.0 109.461 -177.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 70.8 mt -61.16 -52.92 62.82 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 176.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -48.53 -60.2 2.89 Favored 'General case' 0 CA--C 1.516 -0.337 0 C-N-CA 126.041 1.736 . . . . 0.0 110.367 -176.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -34.23 -57.65 0.48 Allowed 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 126.077 1.751 . . . . 0.0 110.055 178.018 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 31.4 mm -75.52 -71.27 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 C-N-CA 123.715 0.806 . . . . 0.0 110.995 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . 0.284 0.0 OUTLIER -69.69 -9.82 55.84 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 116.336 1.976 . . . . 0.0 116.336 -165.209 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.25 -70.36 0.27 Allowed 'General case' 0 C--N 1.342 0.266 0 CA-C-N 119.907 1.23 . . . . 0.0 109.005 171.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -164.77 42.53 0.08 Allowed 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 125.814 1.646 . . . . 0.0 110.874 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 45.81 43.64 10.11 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 118.277 0.489 . . . . 0.0 110.182 -172.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 58.3 mt 71.49 51.93 0.25 Allowed 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 127.283 2.233 . . . . 0.0 112.064 -178.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt 50.12 51.96 15.65 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.395 0 N-CA-C 109.213 -1.555 . . . . 0.0 109.213 -168.574 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 46.7 ttp . . . . . 0 N--CA 1.45 -0.465 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.7 73.89 0.57 Allowed 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.656 0.782 . . . . 0.0 111.059 -178.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 42.4 t -49.26 145.88 6.83 Favored Pre-proline 0 CA--C 1.537 0.444 0 C-N-CA 124.35 1.06 . . . . 0.0 109.213 169.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -40.12 -45.12 4.01 Favored 'Trans proline' 0 N--CA 1.459 -0.509 0 C-N-CA 123.859 3.039 . . . . 0.0 114.457 179.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 86.1 mt -58.88 -53.42 58.64 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 122.413 0.285 . . . . 0.0 110.726 176.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -59.6 -40.18 86.64 Favored 'General case' 0 C--O 1.224 -0.275 0 C-N-CA 123.127 0.571 . . . . 0.0 110.477 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 12.0 tp60 -62.75 -50.56 70.58 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 118.348 0.522 . . . . 0.0 110.539 176.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.99 -54.02 51.85 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.065 0.546 . . . . 0.0 110.248 -178.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 19.4 mm -51.61 -44.81 35.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 C-N-CA 123.699 0.799 . . . . 0.0 109.378 171.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -51.07 -45.02 51.57 Favored Glycine 0 CA--C 1.523 0.562 0 C-N-CA 126.7 2.095 . . . . 0.0 111.692 176.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 73.0 mt -56.75 -53.42 58.04 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 118.765 1.283 . . . . 0.0 109.674 174.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 73.1 mt -56.11 -43.28 77.99 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 122.649 0.38 . . . . 0.0 110.938 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.41 -34.78 67.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 123.722 0.809 . . . . 0.0 111.109 177.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.02 -47.66 64.12 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.088 -1.205 . . . . 0.0 110.088 178.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 78.4 mt -61.36 -48.9 86.75 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 C-N-CA 125.928 1.691 . . . . 0.0 109.765 177.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -29.93 -71.13 0.05 OUTLIER 'General case' 0 C--O 1.225 -0.185 0 C-N-CA 127.236 2.215 . . . . 0.0 113.683 -170.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -92.05 3.02 56.18 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -175.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . 0.439 ' HZ2' ' CA ' ' B' ' 18' ' ' LYS . 0.0 OUTLIER -55.12 -34.8 64.02 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 119.159 0.89 . . . . 0.0 111.013 176.619 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -55.34 -38.82 69.26 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 124.178 0.991 . . . . 0.0 111.294 176.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 67.3 m -73.21 5.53 3.46 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-O 118.446 -0.788 . . . . 0.0 112.888 175.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -44.34 -37.08 4.54 Favored Glycine 0 CA--C 1.532 1.128 0 CA-C-N 119.702 1.137 . . . . 0.0 114.261 -174.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -56.53 -41.9 77.57 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.82 0.848 . . . . 0.0 112.006 177.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -73.94 -49.68 23.56 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 125.147 1.379 . . . . 0.0 108.434 173.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.16 176.04 25.23 Favored Glycine 0 CA--C 1.526 0.726 0 C-N-CA 126.707 2.099 . . . . 0.0 108.228 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -65.28 -11.76 44.76 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 117.784 -1.103 . . . . 0.0 112.444 178.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -17.0 117.13 0.02 OUTLIER 'General case' 0 C--N 1.35 0.587 0 C-N-CA 129.493 3.117 . . . . 0.0 111.753 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -73.55 44.84 0.17 Allowed 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 116.594 2.072 . . . . 0.0 116.594 -163.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 10.8 p -150.05 134.0 16.96 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.932 2.093 . . . . 0.0 105.726 168.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 2.5 tt -88.61 115.26 26.01 Favored 'General case' 0 CA--C 1.528 0.125 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -169.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.6 p -62.67 130.79 46.58 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 121.594 -0.691 . . . . 0.0 111.041 177.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 2.4 pttm -46.13 -45.15 16.35 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 122.874 0.47 . . . . 0.0 112.156 -179.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 17.9 pttp -68.8 -17.29 64.0 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -176.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -93.83 -7.56 42.96 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 119.482 1.037 . . . . 0.0 112.043 168.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 9.3 tp -67.2 -33.54 75.6 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.901 0.773 . . . . 0.0 110.265 171.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 3.0 pptp? -41.36 -53.47 3.29 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 119.117 0.871 . . . . 0.0 112.376 176.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -42.99 -48.9 6.03 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 125.207 1.403 . . . . 0.0 112.235 174.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 tt -72.44 -46.75 53.55 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 125.916 1.686 . . . . 0.0 108.767 -171.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 2.2 pt -72.72 -49.62 39.3 Favored 'Isoleucine or valine' 0 C--N 1.341 0.233 0 CA-C-O 118.986 -0.53 . . . . 0.0 111.648 -177.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -50.1 -50.01 49.77 Favored 'General case' 0 C--N 1.339 0.119 0 CA-C-N 118.609 0.641 . . . . 0.0 110.254 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -94.19 -102.93 0.14 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.238 0.615 . . . . 0.0 112.349 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -30.49 -64.2 0.13 Allowed 'General case' 0 C--N 1.343 0.319 0 C-N-CA 129.155 2.982 . . . . 0.0 114.511 -168.09 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.4 HD21 ' CE2' ' B' ' 76' ' ' PHE 0.402 2.2 pp -89.5 15.16 9.79 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 -169.289 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 45.6 p -133.29 -166.67 1.8 Allowed 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 167.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . 0.271 61.2 mt 78.99 -47.41 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 125.997 1.719 . . . . 0.0 112.204 178.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -47.85 125.63 12.15 Favored Glycine 0 CA--C 1.532 1.112 0 N-CA-C 108.793 -1.723 . . . . 0.0 108.793 168.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 2.6 m 46.46 32.51 1.62 Allowed 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.684 1.194 . . . . 0.0 113.769 -176.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 59.2 mttt -134.9 -41.67 0.75 Allowed 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.518 1.127 . . . . 0.0 110.76 175.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 7.6 mp 60.38 73.46 0.48 Allowed 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.851 1.26 . . . . 0.0 109.684 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 74.17 -39.03 0.41 Allowed 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 126.121 1.769 . . . . 0.0 113.562 175.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . 0.272 3.3 p30 50.64 -119.17 1.33 Allowed 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.59 1.556 . . . . 0.0 111.816 -178.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -156.29 140.8 16.82 Favored 'General case' 0 C--O 1.221 -0.414 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 -175.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -62.44 -20.71 64.8 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 119.266 0.939 . . . . 0.0 112.683 -178.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 74.8 mt -62.96 -47.58 92.13 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 167.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 70.4 t -66.05 -43.64 92.36 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.28 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.39 -45.55 84.39 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.547 1.139 . . . . 0.0 110.881 178.153 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 62.4 tp -58.97 -47.54 84.76 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 173.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 41.1 tpp -56.08 -39.33 71.93 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 118.533 -0.746 . . . . 0.0 111.349 176.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.458 ' C ' ' H ' ' B' ' 60' ' ' LEU . 72.1 m-20 -62.23 -11.23 13.69 Favored 'General case' 0 CA--C 1.517 -0.323 0 C-N-CA 124.374 1.069 . . . . 0.0 113.174 176.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -69.67 27.96 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 120.101 1.319 . . . . 0.0 110.136 165.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.458 ' H ' ' C ' ' B' ' 58' ' ' ASP . 39.2 tp -60.25 -23.91 64.46 Favored 'General case' 0 C--N 1.343 0.304 0 C-N-CA 127.173 2.189 . . . . 0.0 112.542 -169.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -61.28 -7.29 2.73 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 125.56 1.544 . . . . 0.0 112.57 167.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 10.0 ttm105 -25.19 -37.55 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 131.076 3.75 . . . . 0.0 116.374 -172.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -47.7 -23.62 0.74 Allowed 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 171.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -6.5 1.5 Allowed 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 114.857 1.428 . . . . 0.0 114.857 173.056 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -26.56 -48.42 0.03 OUTLIER 'General case' 0 C--N 1.343 0.29 0 C-N-CA 127.06 2.144 . . . . 0.0 115.79 -169.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -48.56 -65.5 0.56 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 122.625 0.37 . . . . 0.0 111.862 177.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -169.33 153.23 5.22 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 130.422 3.489 . . . . 0.0 105.192 170.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 1.8 t -85.99 121.64 37.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 C-N-CA 123.601 0.76 . . . . 0.0 108.969 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -86.06 164.58 17.24 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 168.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -55.35 -41.72 72.91 Favored 'General case' 0 N--CA 1.454 -0.226 0 O-C-N 121.903 -0.498 . . . . 0.0 111.351 -172.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -58.23 -55.12 39.13 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -176.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -56.87 -52.53 64.77 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 121.731 -0.606 . . . . 0.0 109.739 178.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -45.92 -55.52 6.63 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.582 1.153 . . . . 0.0 111.512 177.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 11.0 tp -75.96 -36.92 33.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 O-C-N 121.845 -0.535 . . . . 0.0 111.501 -173.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 82.2 m -55.12 -53.53 54.71 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 122.124 0.964 . . . . 0.0 109.021 173.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.4 ' CE2' HD21 ' B' ' 42' ' ' LEU . 32.6 t80 -55.6 -56.51 19.44 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 126.366 1.866 . . . . 0.0 111.044 178.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 16.7 mt -48.0 -48.58 32.56 Favored 'General case' 0 C--O 1.224 -0.246 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 173.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.76 -60.13 7.28 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 124.31 0.957 . . . . 0.0 112.827 175.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.71 -50.0 71.52 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.539 0.735 . . . . 0.0 110.397 -176.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 95.2 mt -66.85 -46.03 76.32 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 119.488 -0.291 . . . . 0.0 111.123 -178.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -48.44 -48.44 37.43 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 124.756 1.223 . . . . 0.0 111.723 -174.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 86.4 mtp -45.25 -43.18 10.2 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.437 0.695 . . . . 0.0 111.387 176.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 33.0 mm -90.3 -62.2 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 C-N-CA 123.714 0.806 . . . . 0.0 110.326 -175.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -74.75 -32.23 62.02 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -168.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.38 -84.6 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 119.384 0.993 . . . . 0.0 112.358 -167.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -154.91 33.18 0.4 Allowed 'General case' 0 C--O 1.234 0.248 0 C-N-CA 124.916 1.286 . . . . 0.0 110.54 -174.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . 46.55 44.52 13.42 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 -168.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 21.8 mt 73.69 49.86 0.13 Allowed 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 127.278 2.231 . . . . 0.0 112.864 178.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt 73.24 137.85 0.05 Allowed 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 127.656 2.382 . . . . 0.0 112.34 174.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.352 0 N-CA-C 108.72 -1.752 . . . . 0.0 108.72 -169.556 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.4 mtp . . . . . 0 N--CA 1.451 -0.394 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 86.94 25.64 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 127.377 2.271 . . . . 0.0 110.798 176.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -60.4 162.52 10.81 Favored Pre-proline 0 N--CA 1.449 -0.489 0 C-N-CA 124.928 1.291 . . . . 0.0 108.8 169.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -47.15 -56.95 2.61 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 122.388 2.059 . . . . 0.0 111.669 175.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 pp -56.56 -42.16 78.11 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 121.776 -0.578 . . . . 0.0 111.662 178.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -55.96 -47.42 77.66 Favored 'General case' 0 C--O 1.222 -0.38 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 177.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -60.81 -48.4 81.96 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 120.898 0.38 . . . . 0.0 110.56 177.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.61 -26.7 67.95 Favored 'General case' 0 C--O 1.233 0.206 0 N-CA-C 112.797 0.665 . . . . 0.0 112.797 -176.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.4 mp -75.47 -49.53 26.91 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 N-CA-C 107.686 -1.228 . . . . 0.0 107.686 168.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.42 -44.83 11.25 Favored Glycine 0 C--O 1.225 -0.415 0 C-N-CA 127.78 2.61 . . . . 0.0 112.01 -179.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.72 -52.66 55.29 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 117.789 0.794 . . . . 0.0 109.999 176.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.1 mp -69.2 -37.38 78.08 Favored 'General case' 0 CA--C 1.531 0.233 0 O-C-N 121.707 -0.621 . . . . 0.0 110.819 -177.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.5 mm -60.5 -43.14 93.68 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 O-C-N 121.665 -0.647 . . . . 0.0 110.445 173.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.71 -57.87 14.44 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 109.9 -1.28 . . . . 0.0 109.9 174.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 75.0 mt -56.31 -47.4 81.24 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 C-N-CA 122.974 0.509 . . . . 0.0 111.261 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -38.46 -62.7 0.57 Allowed 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 115.726 1.751 . . . . 0.0 115.726 -167.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -82.77 9.47 9.67 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -174.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 tptp -64.62 -34.33 78.03 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 119.218 0.917 . . . . 0.0 112.366 -176.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.407 ' CZ ' ' HG ' ' A' ' 37' ' ' LEU . 86.3 m-85 -72.44 156.3 39.19 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 -166.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 96.1 p 39.33 37.73 0.29 Allowed 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 128.437 2.695 . . . . 0.0 114.932 -174.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 85.59 126.62 1.75 Allowed Glycine 0 CA--C 1.526 0.737 0 CA-C-N 119.226 0.921 . . . . 0.0 112.071 169.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.263 14.9 pttp 75.87 135.59 0.06 Allowed 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 130.406 3.483 . . . . 0.0 112.923 169.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -81.85 -170.47 2.86 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-O 122.392 1.092 . . . . 0.0 110.384 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.69 -95.96 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 125.94 1.733 . . . . 0.0 111.035 173.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -68.2 79.44 0.24 Allowed 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 122.117 0.96 . . . . 0.0 111.498 175.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -145.28 48.46 1.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 102.025 -3.324 . . . . 0.0 102.025 163.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.3 p-80 -51.74 -38.2 54.32 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 126.637 1.975 . . . . 0.0 110.724 -169.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.1 p -134.57 150.14 50.7 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 106.166 -1.79 . . . . 0.0 106.166 168.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -107.43 179.42 4.25 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.962 1.705 . . . . 0.0 107.913 174.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.2 p -158.71 96.79 1.4 Allowed 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.092 -1.005 . . . . 0.0 110.297 -178.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.283 0.1 OUTLIER 58.02 -61.63 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 128.622 2.769 . . . . 0.0 115.901 175.196 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.08 -42.23 85.12 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.508 0.723 . . . . 0.0 110.009 -172.101 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 59.2 mp0 -60.49 -46.49 89.93 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 175.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -60.81 -39.92 90.78 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 -176.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -61.75 -45.09 95.39 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 118.076 0.398 . . . . 0.0 111.844 171.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -55.97 -35.97 67.33 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 121.753 0.787 . . . . 0.0 111.371 173.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.462 ' CD2' ' HG ' ' A' ' 42' ' ' LEU . 4.9 tt -89.02 -78.89 0.33 Allowed 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 127.262 2.225 . . . . 0.0 111.889 -168.27 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 7.5 pt -54.91 -37.77 42.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.175 0 C-N-CA 123.746 0.818 . . . . 0.0 112.599 -166.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -68.06 -29.96 69.05 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 122.943 0.497 . . . . 0.0 110.728 -175.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -91.73 -62.31 1.45 Allowed 'General case' 0 C--O 1.235 0.291 0 C-N-CA 123.015 0.526 . . . . 0.0 110.624 175.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.3 mp0 -86.47 -100.69 0.07 Allowed 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.084 0.954 . . . . 0.0 111.968 -169.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.462 ' HG ' ' CD2' ' A' ' 37' ' ' LEU . 23.0 mt -28.66 -93.51 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 116.967 2.21 . . . . 0.0 116.967 -164.217 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.9 p -81.39 48.54 1.17 Allowed 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 124.203 1.001 . . . . 0.0 112.799 -166.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.8 tt -172.96 -51.77 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.527 0.074 0 C-N-CA 124.311 1.044 . . . . 0.0 109.273 175.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.12 37.24 63.91 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.219 -1.152 . . . . 0.0 110.219 -175.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.2 m 62.57 -37.06 0.14 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 127.748 2.419 . . . . 0.0 116.903 176.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.62 34.85 0.1 Allowed 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 126.287 1.835 . . . . 0.0 114.504 -168.162 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 37.1 mt 53.78 -148.77 0.44 Allowed 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.757 0.823 . . . . 0.0 109.845 -170.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 50.08 77.0 0.12 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.944 0.897 . . . . 0.0 109.204 -171.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -150.55 176.96 10.48 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 128.84 2.856 . . . . 0.0 104.77 176.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -131.65 153.26 50.14 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 118.9 0.773 . . . . 0.0 109.598 173.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.05 -46.08 89.19 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 176.207 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 43.7 pt -57.96 -39.71 73.14 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 C-N-CA 122.467 0.307 . . . . 0.0 111.227 174.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 41.5 t -65.35 -55.34 20.64 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.276 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 178.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -35.03 77.34 Favored 'General case' 0 CA--C 1.53 0.195 0 O-C-N 121.928 -0.482 . . . . 0.0 111.902 -175.473 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 64.3 tp -59.58 -50.66 73.03 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.19 0.596 . . . . 0.0 109.987 170.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.3 tpt -62.22 -53.66 52.05 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.091 0.405 . . . . 0.0 110.993 -177.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -35.01 -64.46 0.27 Allowed 'General case' 0 C--N 1.337 0.065 0 C-N-CA 126.374 1.869 . . . . 0.0 110.659 -176.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -55.96 -13.07 1.66 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.886 1.674 . . . . 0.0 114.412 -169.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.0 mt -90.74 -36.42 14.31 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.919 1.288 . . . . 0.0 111.766 -175.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -54.64 -45.58 73.81 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-O 121.374 0.607 . . . . 0.0 109.616 -177.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 25.3 ptt85 -65.24 23.14 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.496 1.918 . . . . 0.0 114.634 174.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -29.51 -34.43 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 129.77 3.228 . . . . 0.0 117.412 -176.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -72.86 57.05 0.43 Allowed 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 119.665 1.121 . . . . 0.0 109.714 172.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -55.04 -24.15 23.43 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.644 1.578 . . . . 0.0 110.947 176.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -57.98 -47.83 81.81 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.286 0.634 . . . . 0.0 112.656 170.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -154.91 112.05 3.33 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 126.351 1.86 . . . . 0.0 107.613 -169.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.4 t -115.9 126.11 73.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -176.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -110.54 179.62 4.02 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 125.118 1.367 . . . . 0.0 108.563 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -53.27 -39.78 64.16 Favored 'General case' 0 C--O 1.221 -0.397 0 C-N-CA 123.373 0.669 . . . . 0.0 109.327 172.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.22 -53.85 31.21 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.459 1.104 . . . . 0.0 111.028 -177.476 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 58.4 mp0 -64.89 -55.33 20.02 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 177.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -45.65 -41.59 10.46 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.981 1.312 . . . . 0.0 112.826 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 9.3 tp -82.57 -45.21 19.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.291 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.0 m -48.35 -46.7 37.05 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 119.465 1.03 . . . . 0.0 109.875 176.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -50.21 -55.86 13.49 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 127.305 2.242 . . . . 0.0 111.688 177.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 92.9 mt -58.07 -48.62 79.59 Favored 'General case' 0 C--O 1.224 -0.24 0 O-C-N 121.72 -0.613 . . . . 0.0 109.667 171.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -43.96 -37.28 4.14 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 126.165 1.841 . . . . 0.0 113.495 175.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -82.97 -60.49 2.14 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 117.763 0.782 . . . . 0.0 112.396 173.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -78.82 -34.06 45.59 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 -166.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.414 ' HB3' HD23 ' A' ' 88' ' ' LEU 0.312 . . -61.91 -21.94 65.17 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 117.25 2.315 . . . . 0.0 117.25 -166.271 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.473 ' CB ' ' HG ' ' A' ' 88' ' ' LEU . 2.1 mmm -69.89 -35.68 74.82 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 120.725 1.602 . . . . 0.0 108.064 173.127 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 30.6 mm -69.59 -53.11 26.29 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 -179.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -91.27 -49.47 6.35 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 114.946 1.462 . . . . 0.0 114.946 -170.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -95.23 -104.73 0.15 Allowed 'General case' 0 C--N 1.346 0.428 0 CA-C-N 119.932 1.242 . . . . 0.0 111.377 -170.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 176.02 -179.15 0.15 Allowed 'General case' 0 N--CA 1.445 -0.721 1 C-N-CA 131.798 4.039 . . . . 0.0 104.552 176.057 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 48.64 17.17 0.13 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.569 1.548 . . . . 0.0 112.659 -170.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.49 HD13 ' CG ' ' B' ' 70' ' ' PHE . 0.5 OUTLIER 37.89 39.56 0.24 Allowed 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.641 1.576 . . . . 0.0 111.643 -164.831 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt 171.97 154.17 0.07 Allowed 'General case' 0 C--N 1.339 0.128 0 C-N-CA 124.364 1.066 . . . . 0.0 110.081 175.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.426 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 172.351 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.514 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -166.93 -20.79 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 115.179 1.548 . . . . 0.0 115.179 -172.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.58 164.55 37.8 Favored Pre-proline 0 CA--C 1.537 0.476 0 CA-C-N 119.582 1.083 . . . . 0.0 111.149 -172.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -49.45 -41.92 42.71 Favored 'Trans proline' 0 N--CA 1.454 -0.839 0 C-N-CA 123.007 2.471 . . . . 0.0 112.231 171.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 86.0 mt -63.63 -55.7 21.6 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.72 -56.8 5.59 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 125.765 1.626 . . . . 0.0 109.615 178.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -52.48 -53.22 48.52 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.029 0.932 . . . . 0.0 110.34 176.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.26 -48.31 82.1 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.155 0.582 . . . . 0.0 112.102 -176.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.7 mp -58.09 -53.93 39.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 175.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.28 -46.0 28.09 Favored Glycine 0 CA--C 1.532 1.141 0 CA-C-N 118.33 0.514 . . . . 0.0 111.861 176.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 49.2 tp -56.02 -27.4 52.89 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.24 1.016 . . . . 0.0 112.044 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.75 -43.04 99.63 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 120.408 1.458 . . . . 0.0 110.639 174.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -68.11 -42.24 84.87 Favored 'Isoleucine or valine' 0 C--N 1.342 0.271 0 CA-C-N 118.762 0.71 . . . . 0.0 109.258 169.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -46.11 -59.21 5.23 Favored Glycine 0 CA--C 1.533 1.204 0 CA-C-N 118.806 0.73 . . . . 0.0 111.851 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 21.5 mm -58.34 -52.74 55.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 125.435 1.494 . . . . 0.0 110.069 176.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.431 ' CD2' ' HD2' ' B' ' 70' ' ' PHE . 5.7 t80 -37.14 -76.44 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 125.165 1.386 . . . . 0.0 114.456 -167.49 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -71.04 -21.19 62.29 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 122.253 -0.279 . . . . 0.0 111.464 -176.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.32 -33.85 72.0 Favored 'General case' 0 C--N 1.341 0.206 0 O-C-N 121.496 -0.752 . . . . 0.0 109.699 -179.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -78.51 53.44 1.3 Allowed 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 121.995 0.902 . . . . 0.0 111.132 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 7.1 m -129.67 25.85 5.34 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 126.216 1.807 . . . . 0.0 110.135 168.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.77 -55.43 3.82 Favored Glycine 0 C--N 1.337 0.618 0 C-N-CA 126.435 1.969 . . . . 0.0 113.905 168.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -87.1 -140.9 0.1 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.923 0.889 . . . . 0.0 110.722 -168.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.5 pm0 -38.58 -54.59 1.51 Allowed 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 126.541 1.936 . . . . 0.0 112.519 176.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.27 31.24 6.25 Favored Glycine 0 CA--C 1.529 0.915 0 C-N-CA 124.862 1.22 . . . . 0.0 112.887 173.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 25.0 p-10 -80.99 -46.16 15.51 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 128.971 2.909 . . . . 0.0 109.995 171.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 39.5 mmtm -44.92 113.92 0.64 Allowed 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 126.281 1.832 . . . . 0.0 109.258 -173.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 14.2 p80 -76.88 60.87 1.83 Allowed 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.444 0.698 . . . . 0.0 109.9 -177.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 3.3 p -163.61 162.69 24.43 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 128.175 2.59 . . . . 0.0 105.48 -171.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 mp -111.36 131.4 55.2 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 104.833 -2.284 . . . . 0.0 104.833 168.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 28.0 m -87.97 152.93 21.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 118.558 0.617 . . . . 0.0 110.722 -174.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 7.4 pttm -59.73 140.63 56.34 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.878 -0.514 . . . . 0.0 109.866 175.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . 0.409 0.0 OUTLIER 92.04 -41.71 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 129.979 3.311 . . . . 0.0 110.834 -169.674 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 58.3 mp0 -66.56 -36.36 82.45 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.902 1.228 . . . . 0.0 111.45 174.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.91 -49.5 75.92 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 119.497 1.044 . . . . 0.0 109.544 174.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.77 -25.85 12.52 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.184 0.594 . . . . 0.0 111.3 171.196 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -77.86 -58.93 3.0 Favored 'General case' 0 N--CA 1.449 -0.514 0 O-C-N 121.048 -1.033 . . . . 0.0 111.502 177.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . 0.278 4.0 pp -53.67 -41.83 67.27 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -178.123 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 20.8 tt -60.86 -34.53 59.78 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 120.294 -0.563 . . . . 0.0 111.754 178.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 11.8 tp60 -72.45 -60.79 2.06 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 119.187 -0.435 . . . . 0.0 111.131 -169.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 16.2 mtmm -93.57 -63.68 1.18 Allowed 'General case' 0 CA--C 1.529 0.168 0 CA-C-O 121.57 0.7 . . . . 0.0 110.361 -175.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 33.5 mp0 -54.2 -55.46 27.74 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 126.803 2.041 . . . . 0.0 111.473 -167.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 22.1 mt -63.06 -9.68 11.37 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 178.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 32.1 m 73.22 -68.08 0.24 Allowed 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 125.227 1.411 . . . . 0.0 113.201 168.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 43.6 pt 38.53 44.63 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 126.784 2.034 . . . . 0.0 113.477 -178.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -76.55 -56.92 4.04 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 109.207 -1.557 . . . . 0.0 109.207 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 7.6 m -68.77 70.22 0.19 Allowed 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.706 1.202 . . . . 0.0 109.553 171.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.0 45.85 0.55 Allowed 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 125.243 1.417 . . . . 0.0 113.13 -169.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 62.0 tp -48.94 122.68 6.04 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.706 1.202 . . . . 0.0 109.528 172.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 71.11 -34.53 0.3 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.93 1.692 . . . . 0.0 114.55 175.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -40.59 139.07 0.85 Allowed 'General case' 0 C--O 1.236 0.357 0 C-N-CA 125.187 1.395 . . . . 0.0 112.716 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -135.69 161.82 34.47 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 125.29 1.436 . . . . 0.0 108.279 172.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -56.84 -30.99 64.31 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 123.529 0.732 . . . . 0.0 109.764 177.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 78.0 mt -55.63 -48.26 77.89 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 C-N-CA 123.143 0.577 . . . . 0.0 109.917 169.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 38.6 t -63.86 -44.11 98.01 Favored 'Isoleucine or valine' 0 C--N 1.34 0.185 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -55.0 -52.66 62.42 Favored 'General case' 0 C--O 1.222 -0.358 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 176.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -56.89 -40.73 76.78 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.264 0.483 . . . . 0.0 111.39 178.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 46.3 tpp -58.1 -56.44 21.99 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 118.344 0.52 . . . . 0.0 110.521 175.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.473 ' C ' ' H ' ' B' ' 60' ' ' LEU . 60.9 m-20 -84.14 -4.76 59.01 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 -172.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -68.2 32.03 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.856 1.662 . . . . 0.0 108.543 163.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.473 ' H ' ' C ' ' B' ' 58' ' ' ASP . 25.4 tp -47.37 -19.89 0.18 Allowed 'General case' 0 C--N 1.348 0.509 0 C-N-CA 129.446 3.098 . . . . 0.0 112.398 -170.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -36.46 -37.26 0.12 Allowed 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.878 2.071 . . . . 0.0 110.021 162.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.65 -10.98 21.7 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 126.483 1.913 . . . . 0.0 113.549 -177.121 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -51.34 -37.69 49.14 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.897 0.879 . . . . 0.0 109.252 168.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . 0.267 18.1 pttp 60.63 -53.43 0.09 Allowed 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 118.191 2.663 . . . . 0.0 118.191 168.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -78.06 32.57 0.18 Allowed 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 120.426 1.466 . . . . 0.0 113.544 -166.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.2 -174.11 0.86 Allowed 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 127.014 2.126 . . . . 0.0 106.735 -177.157 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -110.66 159.69 17.36 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 105.361 -2.089 . . . . 0.0 105.361 165.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 25.0 t -97.07 149.58 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 123.437 0.695 . . . . 0.0 109.251 -168.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -107.12 166.4 10.65 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.717 1.207 . . . . 0.0 110.451 176.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.49 ' CG ' HD13 ' A' ' 88' ' ' LEU . 7.4 t80 -48.81 -48.62 41.31 Favored 'General case' 0 C--N 1.343 0.304 0 C-N-CA 124.26 1.024 . . . . 0.0 110.526 -175.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -51.96 -56.23 15.47 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 122.866 0.466 . . . . 0.0 109.775 -174.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -56.0 -50.33 71.15 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 122.859 0.464 . . . . 0.0 110.488 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -48.56 -66.43 0.4 Allowed 'General case' 0 C--O 1.231 0.09 0 C-N-CA 123.733 0.813 . . . . 0.0 110.286 175.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 9.2 tp -62.54 -32.79 56.49 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 -171.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 85.2 m -62.14 -46.48 88.79 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 118.453 -0.784 . . . . 0.0 111.1 174.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . 0.276 0.3 OUTLIER -65.35 -44.22 88.37 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 119.798 1.181 . . . . 0.0 110.597 176.903 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 6.9 mp -51.78 -37.96 53.58 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.436 -0.79 . . . . 0.0 111.224 169.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -69.58 -45.17 60.57 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 124.481 1.039 . . . . 0.0 112.802 178.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.41 -48.68 74.01 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.459 0.703 . . . . 0.0 109.278 174.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 85.7 mt -59.53 -48.54 81.26 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 119.215 -0.421 . . . . 0.0 110.537 171.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -46.02 -57.38 4.48 Favored 'General case' 0 CA--C 1.517 -0.318 0 C-N-CA 125.476 1.51 . . . . 0.0 111.732 -175.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 75.2 mtm -42.85 -47.5 5.58 Favored 'General case' 0 CA--C 1.529 0.168 0 O-C-N 124.268 0.98 . . . . 0.0 110.461 178.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 65.2 mt -77.55 -73.98 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.628 0 C-N-CA 124.061 0.944 . . . . 0.0 110.267 -177.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.45 -25.96 68.24 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 113.348 0.869 . . . . 0.0 113.348 -167.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -68.64 -55.84 10.17 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 119.159 0.891 . . . . 0.0 110.702 -179.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 27.1 pt-20 -157.85 13.57 0.21 Allowed 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 115.636 1.717 . . . . 0.0 115.636 -174.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . 49.23 33.27 4.93 Favored 'General case' 0 CA--C 1.537 0.442 0 CA-C-N 119.736 1.153 . . . . 0.0 110.754 -169.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.679 ' O ' ' OXT' ' B' ' 90' ' ' GLY . 57.4 mt 49.05 26.23 1.33 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.47 1.508 . . . . 0.0 112.591 -173.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . 0.421 ' C ' ' OXT' ' B' ' 90' ' ' GLY . 0.4 OUTLIER 43.05 42.16 3.08 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.887 1.275 . . . . 0.0 110.331 -171.323 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . 0.679 ' OXT' ' O ' ' B' ' 88' ' ' LEU . . . . . . . . 0 C--O 1.27 2.353 0 N-CA-C 109.793 -1.323 . . . . 0.0 109.793 -169.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.5 mtp . . . . . 0 N--CA 1.448 -0.56 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.15 -14.27 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 115.112 1.523 . . . . 0.0 115.112 -172.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.06 165.26 22.76 Favored Pre-proline 0 CA--C 1.539 0.519 0 C-N-CA 123.694 0.798 . . . . 0.0 110.882 -175.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -50.75 -46.56 29.48 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 122.864 2.376 . . . . 0.0 112.716 176.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 84.3 mt -57.17 -55.5 33.87 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 175.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -47.96 -49.42 30.51 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.608 1.563 . . . . 0.0 110.465 177.12 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -58.15 -45.39 87.52 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.308 0.643 . . . . 0.0 110.669 175.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.03 -43.22 86.67 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 121.868 -0.52 . . . . 0.0 111.013 175.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 43.1 mm -55.68 -45.01 79.0 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-N 118.99 0.814 . . . . 0.0 109.091 171.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.53 -53.19 13.08 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 123.653 0.644 . . . . 0.0 112.275 169.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.5 mt -57.08 -48.13 79.34 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 121.281 -1.129 . . . . 0.0 110.53 177.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 mp -57.77 -40.74 80.51 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.32 0.648 . . . . 0.0 111.645 178.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 67.4 mt -58.83 -44.57 90.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 C-N-CA 123.856 0.862 . . . . 0.0 109.478 171.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -50.06 -64.21 3.71 Favored Glycine 0 CA--C 1.528 0.859 0 N-CA-C 110.427 -1.069 . . . . 0.0 110.427 171.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.8 mp -52.58 -48.43 47.54 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 117.731 0.765 . . . . 0.0 110.172 -177.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -43.12 -73.82 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 124.351 1.061 . . . . 0.0 110.178 170.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . 0.331 1.0 OUTLIER -75.0 -7.12 52.73 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 115.177 1.547 . . . . 0.0 115.177 -170.811 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -64.0 -20.01 65.59 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 118.738 -0.648 . . . . 0.0 112.406 170.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -87.72 -40.02 14.47 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 120.022 1.283 . . . . 0.0 110.83 -179.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.3 p -59.49 -1.45 0.23 Allowed 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.25 -58.94 10.42 Favored Glycine 0 CA--C 1.528 0.9 0 N-CA-C 110.228 -1.149 . . . . 0.0 110.228 173.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -78.54 -128.03 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.217 1.007 . . . . 0.0 111.716 -169.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.6 pm0 -58.31 -39.99 80.84 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 120.597 1.544 . . . . 0.0 112.455 -177.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -42.56 139.48 2.5 Favored Glycine 0 CA--C 1.529 0.958 0 C-N-CA 125.254 1.407 . . . . 0.0 114.742 -178.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.402 ' OD1' ' NE2' ' A' ' 27' ' ' HIS . 20.9 t70 -48.46 145.54 3.41 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.643 1.177 . . . . 0.0 112.482 173.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -100.28 47.45 0.93 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.057 0.943 . . . . 0.0 112.062 -172.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.402 ' NE2' ' OD1' ' A' ' 25' ' ' ASP . 0.1 OUTLIER -167.1 -44.88 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.043 0.937 . . . . 0.0 110.067 169.3 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 48.3 p -98.46 -149.32 0.34 Allowed 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 169.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 21.1 mt -138.43 134.39 34.01 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 106.218 -1.771 . . . . 0.0 106.218 167.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.4 m -68.44 140.04 55.75 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 173.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -43.24 -51.28 6.23 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.163 1.385 . . . . 0.0 111.547 -177.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.8 tmtt? -48.49 -43.95 35.37 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.599 1.16 . . . . 0.0 111.834 177.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -66.29 -39.09 89.13 Favored 'General case' 0 N--CA 1.451 -0.424 0 O-C-N 121.845 -0.534 . . . . 0.0 109.88 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 34' ' ' LEU . 18.5 tp -66.03 -37.49 86.0 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 119.712 -0.795 . . . . 0.0 110.238 177.652 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -59.53 -37.63 78.88 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 118.068 0.394 . . . . 0.0 111.925 171.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -68.37 -44.39 75.3 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 123.167 1.46 . . . . 0.0 110.702 176.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 tt -62.45 -66.55 0.52 Allowed 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 125.379 1.472 . . . . 0.0 109.822 -177.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -35.9 -49.13 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 C-N-CA 125.462 1.505 . . . . 0.0 113.797 -169.224 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -51.22 -39.23 56.11 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 118.706 -0.664 . . . . 0.0 112.403 -169.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.23 -86.92 0.26 Allowed 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 121.476 0.655 . . . . 0.0 112.636 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.4 mp0 -50.76 -46.72 59.53 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 126.455 1.902 . . . . 0.0 114.743 -165.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.4 mt -77.16 -9.89 59.05 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -168.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.1 p -73.76 177.07 5.74 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 118.454 0.57 . . . . 0.0 110.633 -175.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 31.7 pt -50.11 -31.73 7.99 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-O 121.191 0.52 . . . . 0.0 110.955 169.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 157.16 -34.18 0.55 Allowed Glycine 0 CA--C 1.528 0.887 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 -171.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.4 m -150.91 55.38 0.89 Allowed 'General case' 0 CA--C 1.53 0.21 0 O-C-N 121.869 -0.783 . . . . 0.0 111.558 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 48.4 tptt 52.34 22.2 1.95 Allowed 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 167.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.8 tp 43.63 50.41 6.53 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.262 -0.898 . . . . 0.0 110.23 -170.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.25 20.15 2.51 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.959 2.104 . . . . 0.0 114.738 -177.131 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.9 t70 48.28 41.25 15.85 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 126.047 1.739 . . . . 0.0 113.32 173.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.38 139.69 23.99 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 169.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.6 mp0 -48.32 -43.7 33.45 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.8 0.84 . . . . 0.0 108.903 175.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.2 mm -48.9 -47.09 16.6 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 C-N-CA 124.449 1.1 . . . . 0.0 111.427 172.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 67.2 t -70.43 -58.9 4.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 CA-C-N 118.954 0.797 . . . . 0.0 108.921 -176.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.0 pttm -60.92 -33.14 72.69 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 120.097 -0.641 . . . . 0.0 111.89 -174.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 66.8 tp -53.73 -39.37 65.22 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 118.961 -0.542 . . . . 0.0 110.883 172.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 66.9 mtt -90.36 -55.15 3.71 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 122.998 0.519 . . . . 0.0 111.876 -175.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.48 -19.39 56.57 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 126.211 1.804 . . . . 0.0 115.379 -168.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -57.94 -7.19 0.69 Allowed 'General case' 0 CA--C 1.556 1.183 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.541 165.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 pp -36.69 -15.88 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 131.088 3.755 . . . . 0.0 117.413 177.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.41 -17.42 0.76 Allowed 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 119.036 0.835 . . . . 0.0 109.32 163.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -39.61 -46.09 1.74 Allowed 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.899 -0.5 . . . . 0.0 111.699 165.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -63.36 -75.79 0.07 Allowed 'General case' 0 C--N 1.338 0.08 0 N-CA-C 115.097 1.517 . . . . 0.0 115.097 -167.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -63.97 130.12 42.8 Favored 'General case' 0 N--CA 1.436 -1.131 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 -164.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 19.02 43.86 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.389 1 C-N-CA 134.104 4.961 . . . . 0.0 116.035 167.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 59.13 -121.76 1.15 Allowed 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.37 1.068 . . . . 0.0 110.575 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -59.66 157.83 11.16 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 119.277 0.944 . . . . 0.0 111.205 -173.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.0 m -122.95 129.14 75.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 113.094 0.775 . . . . 0.0 113.094 -164.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -105.06 -164.66 1.06 Allowed 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 169.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -57.64 -40.52 79.45 Favored 'General case' 0 C--N 1.339 0.143 0 CA-C-N 119.053 0.842 . . . . 0.0 110.738 -178.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.76 -61.78 2.04 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 176.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.4 mp0 -56.72 -48.5 77.6 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-O 118.898 -0.572 . . . . 0.0 111.129 -179.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -50.57 -57.48 8.06 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.489 0.715 . . . . 0.0 111.051 178.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 7.6 mm -62.28 -47.1 94.64 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.136 0 CA-C-O 121.066 0.46 . . . . 0.0 110.386 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.41 ' HA ' ' CG2' ' B' ' 74' ' ' ILE . 31.0 m -54.21 -47.5 72.06 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.656 1.182 . . . . 0.0 110.923 -176.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -56.05 -60.65 3.19 Favored 'General case' 0 N--CA 1.436 -1.174 0 C-N-CA 125.039 1.336 . . . . 0.0 110.038 169.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -38.84 -60.88 0.79 Allowed 'General case' 0 C--N 1.343 0.289 0 C-N-CA 124.217 1.007 . . . . 0.0 111.95 176.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.19 -53.88 32.16 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 174.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.7 -36.68 57.69 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 118.338 1.069 . . . . 0.0 112.868 -179.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 40.9 mt -51.68 -30.39 21.76 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.805 0.73 . . . . 0.0 111.748 175.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -49.32 -44.83 44.72 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.375 0.67 . . . . 0.0 111.157 173.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 72.3 mtm -62.12 -17.61 58.28 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.245 0.618 . . . . 0.0 112.289 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 20.9 mm -93.66 -70.77 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 C-N-CA 124.033 0.933 . . . . 0.0 109.369 169.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -77.52 -41.04 40.67 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 113.866 1.062 . . . . 0.0 113.866 -168.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -92.53 21.08 5.65 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.579 0.751 . . . . 0.0 111.544 -176.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -51.63 130.82 29.04 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 122.277 1.036 . . . . 0.0 112.095 -168.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 165.07 34.85 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 131.196 3.798 . . . . 0.0 108.609 -174.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -153.87 -40.42 0.09 Allowed 'General case' 0 C--O 1.235 0.299 0 C-N-CA 123.754 0.822 . . . . 0.0 112.874 -171.25 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.406 ' HZ3' ' HB3' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -112.83 -59.75 1.97 Allowed 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.158 0.583 . . . . 0.0 112.419 -166.6 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.269 2.334 0 C-N-CA 125.903 1.716 . . . . 0.0 110.254 -179.116 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 59.1 ttp . . . . . 0 C--O 1.223 -0.29 0 N-CA-C 110.898 -0.038 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.3 61.15 0.63 Allowed 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.294 1.038 . . . . 0.0 113.647 -170.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.52 173.06 2.59 Favored Pre-proline 0 CA--C 1.541 0.604 0 C-N-CA 124.813 1.245 . . . . 0.0 110.116 169.14 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -52.57 -48.56 21.29 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 122.787 2.324 . . . . 0.0 112.747 178.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 5.8 mp -58.69 -58.8 6.97 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 177.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -46.57 -48.36 19.59 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 125.461 1.505 . . . . 0.0 112.158 179.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -53.32 -55.7 22.64 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.097 0.559 . . . . 0.0 110.842 176.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.76 -50.72 71.24 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 122.236 -0.29 . . . . 0.0 110.773 -178.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 58.5 mt -45.97 -43.58 4.74 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 C-N-CA 125.204 1.402 . . . . 0.0 110.049 174.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -40.41 -49.26 3.81 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 124.991 1.281 . . . . 0.0 112.878 172.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 63.3 tp -62.45 -47.49 83.8 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.128 0.964 . . . . 0.0 110.178 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.68 -40.28 94.41 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 119.281 -0.39 . . . . 0.0 110.632 -178.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 71.3 mt -61.28 -51.28 74.89 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.141 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 172.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -45.27 -55.26 6.78 Favored Glycine 0 C--N 1.336 0.55 0 N-CA-C 110.019 -1.232 . . . . 0.0 110.019 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 94.9 mt -60.68 -61.25 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 CA-C-O 119.179 -0.439 . . . . 0.0 110.077 177.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -38.53 -62.77 0.56 Allowed 'General case' 0 C--N 1.344 0.349 0 C-N-CA 125.148 1.379 . . . . 0.0 111.072 179.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . 0.294 0.9 OUTLIER -90.72 16.78 8.58 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -175.195 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 tmtm? -74.66 -50.32 18.11 Favored 'General case' 0 C--N 1.338 0.094 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 166.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -83.21 44.85 0.98 Allowed 'General case' 0 CA--C 1.518 -0.268 0 C-N-CA 124.219 1.008 . . . . 0.0 111.255 -176.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 19.4 m -79.38 51.73 1.26 Allowed 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.455 0.702 . . . . 0.0 110.393 177.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.69 60.16 2.67 Favored Glycine 0 C--N 1.334 0.461 0 N-CA-C 107.705 -2.158 . . . . 0.0 107.705 -178.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 24.7 mmmt 72.48 -67.04 0.28 Allowed 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.992 1.317 . . . . 0.0 108.886 -169.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -152.19 146.38 25.41 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 126.925 2.09 . . . . 0.0 106.443 170.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.98 171.37 27.99 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.574 -0.611 . . . . 0.0 111.574 178.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -76.73 -36.72 56.97 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.181 0.993 . . . . 0.0 112.248 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -32.85 114.59 0.17 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 126.471 1.908 . . . . 0.0 112.985 -169.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -76.06 -22.77 55.28 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -167.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 22.0 p -105.33 163.92 12.24 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.414 1.086 . . . . 0.0 109.968 172.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 85.5 mt -117.27 129.48 55.94 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.805 1.642 . . . . 0.0 109.242 176.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 90.6 p -86.7 153.51 21.68 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 125.12 1.368 . . . . 0.0 108.529 170.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.5 mttp -54.48 -31.92 56.8 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 115.101 1.519 . . . . 0.0 115.101 -169.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 2.2 tmtm? -56.48 -38.15 71.32 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 119.477 1.035 . . . . 0.0 111.672 173.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -68.07 -47.5 68.12 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 178.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.41 -45.22 72.92 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-O 118.552 -0.737 . . . . 0.0 112.447 176.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 9.4 mmpt? -53.86 -31.27 49.02 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 119.119 0.872 . . . . 0.0 111.719 177.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -75.98 -54.96 6.09 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-O 121.944 0.878 . . . . 0.0 110.36 174.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.07 -47.06 75.37 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 125.765 1.626 . . . . 0.0 111.838 -173.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 10.1 pt -67.03 -24.6 32.55 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-N 118.203 0.456 . . . . 0.0 112.165 177.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -61.79 -44.47 96.81 Favored 'General case' 0 N--CA 1.448 -0.528 0 O-C-N 121.99 -0.444 . . . . 0.0 110.077 -169.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -90.83 -102.96 0.1 Allowed 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 -173.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.95 -34.98 12.17 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 120.381 3.474 . . . . 0.0 120.381 -161.187 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -41.15 -50.19 3.51 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 -165.186 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 56.3 p -25.85 -83.56 0.0 OUTLIER 'General case' 0 C--O 1.231 0.102 0 C-N-CA 128.057 2.543 . . . . 0.0 112.417 -169.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mt -106.34 39.46 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 126.276 1.831 . . . . 0.0 107.984 -179.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -26.53 -57.45 0.08 OUTLIER Glycine 0 C--N 1.341 0.834 0 C-N-CA 127.834 2.635 . . . . 0.0 113.885 -170.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 4.4 m -28.58 -48.31 0.06 Allowed 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 127.407 2.283 . . . . 0.0 113.99 174.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 3.4 ptmm? -160.78 62.13 0.3 Allowed 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 123.573 0.749 . . . . 0.0 109.266 170.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -19.87 77.04 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 129.508 3.123 . . . . 0.0 116.38 -177.309 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 39.7 tp60 -83.76 55.75 3.37 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 174.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -75.64 169.94 17.14 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 115.175 -0.92 . . . . 0.0 112.909 -168.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -167.69 158.53 11.14 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 126.161 1.784 . . . . 0.0 110.251 -179.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.51 -50.38 32.06 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.969 0.908 . . . . 0.0 111.887 172.548 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 31.4 pt -57.13 -36.47 51.6 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 O-C-N 121.046 -1.034 . . . . 0.0 111.397 174.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 87.9 t -69.23 -36.12 71.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-O 118.541 -0.742 . . . . 0.0 109.772 178.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 11.6 mmpt? -56.39 -54.1 49.52 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 119.701 1.137 . . . . 0.0 109.737 169.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 95.9 mt -56.94 -40.32 76.16 Favored 'General case' 0 C--O 1.234 0.283 0 O-C-N 122.218 -0.301 . . . . 0.0 111.273 -177.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 72.6 mtm -64.94 -54.08 36.32 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 119.348 -0.358 . . . . 0.0 110.83 173.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -65.68 -20.31 66.24 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.699 1.2 . . . . 0.0 113.204 -174.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -66.49 9.2 0.18 Allowed 'General case' 0 CA--C 1.552 1.054 0 O-C-N 121.525 -0.734 . . . . 0.0 110.628 165.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.6 mt -53.72 -7.75 0.13 Allowed 'General case' 0 C--N 1.348 0.517 0 C-N-CA 127.178 2.191 . . . . 0.0 111.338 165.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -41.68 -28.59 0.15 Allowed 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.887 1.275 . . . . 0.0 109.603 160.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -51.67 -13.52 0.26 Allowed 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.946 1.461 . . . . 0.0 114.946 172.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -25.6 -80.44 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 130.241 3.416 . . . . 0.0 114.792 -169.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 10.4 pttp 178.92 -42.11 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 123.807 0.843 . . . . 0.0 110.847 178.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -71.64 3.2 4.22 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -168.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . 0.263 0.1 OUTLIER 75.74 -103.85 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.44 1.496 . . . . 0.0 112.698 168.411 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -73.72 146.36 44.46 Favored 'General case' 0 C--O 1.231 0.112 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 -176.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 93.7 t -107.76 125.73 64.2 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 CA-C-O 121.606 0.717 . . . . 0.0 112.623 -168.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -101.92 175.55 5.51 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 105.502 -2.036 . . . . 0.0 105.502 165.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -53.73 -45.55 70.56 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 119.189 0.904 . . . . 0.0 111.164 -176.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -53.86 -39.12 65.4 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.077 0.551 . . . . 0.0 110.701 178.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.51 -29.99 37.25 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 119.401 1.001 . . . . 0.0 111.776 -179.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -60.91 -46.32 91.12 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 169.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . 0.41 ' CG2' ' HA ' ' A' ' 75' ' ' THR . 24.4 mm -67.46 -37.72 79.39 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 CA-C-O 117.767 -1.111 . . . . 0.0 110.677 177.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 2.9 m -38.74 -52.57 1.69 Allowed 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 120.208 1.367 . . . . 0.0 112.018 -179.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -77.49 -49.45 14.73 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 119.535 -0.866 . . . . 0.0 112.283 178.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.25 -37.84 75.73 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 118.933 0.788 . . . . 0.0 111.064 -173.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.94 -45.81 79.4 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 124.697 1.141 . . . . 0.0 112.914 169.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.98 -50.39 73.59 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 118.299 1.05 . . . . 0.0 109.353 175.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -52.66 -42.13 64.44 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.187 174.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.96 -46.92 87.16 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 118.814 0.734 . . . . 0.0 110.273 178.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . 0.403 ' HG3' HD22 ' B' ' 88' ' ' LEU . 8.8 ttt -50.92 -45.71 60.52 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 173.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 96.5 mt -67.5 -63.16 0.98 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 122.921 0.489 . . . . 0.0 111.434 -179.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -68.69 -34.97 76.58 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 120.951 -1.093 . . . . 0.0 112.036 -171.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -91.3 25.52 2.53 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.692 1.197 . . . . 0.0 112.07 -175.083 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.31 74.74 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 116.699 2.111 . . . . 0.0 116.699 -168.216 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -118.74 24.89 10.6 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 126.483 1.913 . . . . 0.0 107.639 166.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.403 HD22 ' HG3' ' B' ' 82' ' ' MET . 4.4 mp -90.72 -41.39 11.3 Favored 'General case' 0 CA--C 1.519 -0.237 0 C-N-CA 124.396 1.078 . . . . 0.0 108.587 -178.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.19 27.95 0.51 Allowed 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 122.839 0.456 . . . . 0.0 111.62 170.229 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.363 0 CA-C-N 118.611 0.641 . . . . 0.0 112.261 175.947 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.3 tmm? . . . . . 0 CA--C 1.533 0.318 0 N-CA-C 110.444 -0.206 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 129.16 33.39 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 130.936 3.694 . . . . 0.0 109.965 -175.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.38 165.72 50.37 Favored Pre-proline 0 CA--C 1.539 0.555 0 C-N-CA 124.731 1.212 . . . . 0.0 108.572 173.107 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -57.08 141.17 94.2 Favored 'Trans proline' 0 N--CA 1.455 -0.791 0 CA-C-N 120.491 1.211 . . . . 0.0 109.689 170.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tt 76.24 -59.13 0.52 Allowed 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 126.362 1.865 . . . . 0.0 109.453 -175.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -42.94 -47.07 5.63 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 126.285 1.834 . . . . 0.0 110.506 174.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -31.23 -40.12 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 126.9 2.08 . . . . 0.0 114.757 169.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.83 -54.27 48.15 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 119.704 1.138 . . . . 0.0 110.885 175.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 45.7 mt -60.92 -47.17 94.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 177.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -44.77 -47.57 9.2 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 124.936 1.255 . . . . 0.0 111.715 172.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -66.2 -51.92 53.01 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.113 0.956 . . . . 0.0 109.841 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.8 mp -52.98 -47.76 67.94 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 118.225 0.466 . . . . 0.0 111.386 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 90.8 mt -65.2 -44.33 95.26 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.135 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 175.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -50.58 -53.6 24.48 Favored Glycine 0 C--O 1.223 -0.593 0 C-N-CA 125.307 1.432 . . . . 0.0 111.179 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 33.9 mm -58.26 -60.98 1.56 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 CA-C-N 117.918 0.859 . . . . 0.0 109.893 178.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -38.79 -59.3 0.97 Allowed 'General case' 0 C--N 1.341 0.212 0 C-N-CA 124.94 1.296 . . . . 0.0 111.401 176.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . 0.331 0.1 OUTLIER -90.07 -12.64 37.83 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 -170.626 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 43.8 tttm -62.06 -45.1 95.05 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 166.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.505 ' HB2' HD13 ' A' ' 29' ' ' LEU . 11.0 m-30 -78.51 52.35 1.16 Allowed 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 122.583 1.182 . . . . 0.0 110.537 -176.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 83.0 p -161.45 43.87 0.16 Allowed 'General case' 0 N--CA 1.445 -0.716 0 CA-C-O 122.357 1.075 . . . . 0.0 109.49 176.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.17 -42.1 31.41 Favored Glycine 0 CA--C 1.535 1.285 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 175.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.57 -153.96 0.52 Allowed 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 127.137 2.175 . . . . 0.0 105.387 170.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 60.68 -92.33 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 120.36 1.437 . . . . 0.0 110.65 176.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.92 -36.41 87.64 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 169.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 43.2 t0 58.49 -179.52 0.07 Allowed 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.576 1.55 . . . . 0.0 111.556 177.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -77.49 57.17 1.51 Allowed 'General case' 0 CA--C 1.539 0.532 0 O-C-N 119.192 -2.192 . . . . 0.0 112.013 -173.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -145.81 -62.41 0.33 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 128.794 2.838 . . . . 0.0 105.537 174.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.57 160.73 19.6 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 127.149 2.18 . . . . 0.0 111.008 -172.452 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.505 HD13 ' HB2' ' A' ' 19' ' ' TYR . 3.0 tp -94.54 125.42 39.17 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 124.955 1.302 . . . . 0.0 107.786 -176.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.6 m -65.73 131.29 45.97 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.8 pttm -54.97 -32.13 61.31 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.491 -0.755 . . . . 0.0 112.268 176.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.23 -59.2 2.85 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -177.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -55.89 -26.27 46.57 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.313 0.961 . . . . 0.0 112.885 173.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.6 tt -54.61 -34.25 61.73 Favored 'General case' 0 C--N 1.342 0.249 0 CA-C-N 120.238 1.381 . . . . 0.0 110.103 171.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.411 ' HA ' HG22 ' A' ' 38' ' ' ILE 0.287 5.1 mptt -67.98 -1.18 5.27 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 120.493 -1.38 . . . . 0.0 113.864 176.625 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -74.84 -47.34 30.96 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 163.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 tt -47.16 -52.48 15.44 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 126.845 2.058 . . . . 0.0 109.783 178.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.411 HG22 ' HA ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -60.41 -44.46 96.19 Favored 'Isoleucine or valine' 0 C--N 1.343 0.3 0 C-N-CA 120.33 -0.548 . . . . 0.0 111.202 -176.449 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.17 -60.99 2.89 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 -177.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.41 ' NZ ' ' OE2' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -92.99 -84.18 0.3 Allowed 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.974 1.102 . . . . 0.0 113.974 -173.143 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.41 ' OE2' ' NZ ' ' A' ' 40' ' ' LYS . 18.2 mp0 -44.11 -57.22 3.52 Favored 'General case' 0 C--O 1.231 0.101 0 N-CA-C 115.877 1.806 . . . . 0.0 115.877 -164.396 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . 0.305 0.2 OUTLIER -68.45 -2.25 8.25 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 118.378 -1.329 . . . . 0.0 113.332 -171.79 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.0 m 60.69 -114.77 0.63 Allowed 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.095 -1.003 . . . . 0.0 110.283 168.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.6 mt -65.44 -20.57 27.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 124.042 0.937 . . . . 0.0 111.39 178.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -49.43 130.25 25.37 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.422 -0.671 . . . . 0.0 111.422 175.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.0 m 57.04 26.87 12.47 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.209 0.604 . . . . 0.0 112.28 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.2 mmtm -115.37 17.36 16.53 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.011 0.924 . . . . 0.0 110.042 169.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.4 mp -74.94 72.84 2.13 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.297 1.039 . . . . 0.0 108.262 -175.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.7 tp60 56.67 81.4 0.13 Allowed 'General case' 0 C--N 1.339 0.126 0 C-N-CA 124.933 1.293 . . . . 0.0 107.758 -168.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -53.73 151.6 6.09 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.655 -175.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -165.71 -172.2 2.32 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 125.427 1.491 . . . . 0.0 108.808 -171.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.48 -45.97 28.81 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 106.862 -1.533 . . . . 0.0 106.862 168.45 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 65.4 mt -46.71 -42.57 5.74 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 C-N-CA 125.179 1.391 . . . . 0.0 110.315 171.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 99.5 t -70.11 -25.48 27.75 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 O-C-N 121.442 -0.786 . . . . 0.0 111.635 -178.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -65.97 -45.86 80.17 Favored 'General case' 0 C--O 1.227 -0.123 0 O-C-N 121.048 -1.033 . . . . 0.0 108.998 169.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -57.54 -41.78 81.61 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 110.27 -0.271 . . . . 0.0 110.27 175.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 27.2 ttt -57.48 -52.35 65.75 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 122.131 -0.356 . . . . 0.0 110.628 175.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -61.25 -33.83 74.16 Favored 'General case' 0 CA--C 1.522 -0.127 0 O-C-N 121.413 -0.804 . . . . 0.0 111.85 178.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -67.75 15.99 0.04 OUTLIER 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 170.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.4 mt -55.44 -27.6 49.09 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 120.304 1.411 . . . . 0.0 108.409 163.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.71 -38.83 10.48 Favored 'General case' 0 C--N 1.346 0.448 0 CA-C-O 121.857 0.837 . . . . 0.0 111.138 169.151 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.77 -11.18 60.05 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 113.383 0.883 . . . . 0.0 113.383 -176.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -55.36 -38.71 69.14 Favored 'General case' 0 CA--C 1.521 -0.15 0 C-N-CA 123.906 0.882 . . . . 0.0 113.363 -174.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -152.5 162.05 41.74 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 107.192 -1.411 . . . . 0.0 107.192 170.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 75.55 -35.49 0.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 127.081 2.152 . . . . 0.0 112.788 169.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 74.24 -73.0 0.1 Allowed 'General case' 0 N--CA 1.457 -0.088 0 C-N-CA 125.751 1.62 . . . . 0.0 109.424 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -80.9 78.89 7.66 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 105.052 -2.203 . . . . 0.0 105.052 169.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 13.0 m -52.72 147.93 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 N-CA-C 115.874 1.805 . . . . 0.0 115.874 -166.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.2 p30 -81.9 174.93 10.83 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.494 1.118 . . . . 0.0 110.051 169.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -61.74 -37.06 82.84 Favored 'General case' 0 C--O 1.225 -0.22 0 C-N-CA 123.56 0.744 . . . . 0.0 112.452 -176.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -64.44 -51.06 65.03 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 118.899 0.772 . . . . 0.0 109.951 176.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.25 -49.55 73.85 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.476 0.58 . . . . 0.0 110.173 178.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -47.16 -58.26 4.25 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.608 0.763 . . . . 0.0 110.73 171.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.3 mm -57.74 -43.76 84.52 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 C-N-CA 123.967 0.907 . . . . 0.0 111.478 -176.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -54.08 -52.34 61.27 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 115.366 1.617 . . . . 0.0 115.366 -167.357 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . 0.274 24.2 p90 -65.39 -43.05 91.88 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 117.526 -1.669 . . . . 0.0 111.222 -178.6 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 44.5 mt -50.9 -48.69 60.43 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.299 0.64 . . . . 0.0 110.347 176.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -60.11 -59.07 11.06 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 176.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.7 -54.24 10.05 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 124.407 1.083 . . . . 0.0 110.777 -178.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 39.0 mt -56.98 -23.44 45.9 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.502 1.121 . . . . 0.0 112.164 -178.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.21 -42.57 69.93 Favored 'General case' 0 C--N 1.339 0.139 0 CA-C-N 119.842 1.201 . . . . 0.0 111.249 173.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 67.0 mtm -59.97 -21.04 60.71 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 119.034 -0.508 . . . . 0.0 111.256 178.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 32.2 mm -91.74 -73.7 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 C-N-CA 124.201 1.0 . . . . 0.0 110.549 172.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . 0.256 0.1 OUTLIER -71.31 -21.81 62.02 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 114.509 1.299 . . . . 0.0 114.509 -168.066 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -91.18 22.59 3.71 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 119.286 0.948 . . . . 0.0 111.434 -176.267 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -47.79 142.41 4.77 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-O 122.946 1.355 . . . . 0.0 112.942 -169.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 144.51 -44.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 1 C-N-CA 132.896 4.478 . . . . 0.0 104.737 -169.048 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -20.75 66.09 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.848 1.259 . . . . 0.0 114.242 -174.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.598 ' O ' ' OXT' ' A' ' 90' ' ' GLY . 27.2 mtmm -100.46 -49.69 4.15 Favored 'General case' 0 C--N 1.342 0.26 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 168.376 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.598 ' OXT' ' O ' ' A' ' 89' ' ' LYS . . . . . . . . 0 C--O 1.27 2.354 0 N-CA-C 110.407 -1.077 . . . . 0.0 110.407 171.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.5 tmm? . . . . . 0 CA--C 1.534 0.335 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 94.2 63.37 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 128.731 2.812 . . . . 0.0 109.675 -175.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 13.3 m -154.29 149.09 19.85 Favored Pre-proline 0 CA--C 1.53 0.206 0 C-N-CA 124.61 1.164 . . . . 0.0 108.186 172.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -50.7 -48.63 19.74 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 123.27 2.647 . . . . 0.0 112.987 -169.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 pp -55.84 -43.61 77.21 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 122.357 0.263 . . . . 0.0 111.615 175.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -51.09 56.77 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.845 0.858 . . . . 0.0 109.094 -176.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -54.9 -47.83 73.83 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 122.991 0.516 . . . . 0.0 110.315 176.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.19 -52.54 64.89 Favored 'General case' 0 CA--C 1.531 0.228 0 O-C-N 122.059 -0.4 . . . . 0.0 111.288 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 59.2 mt -53.33 -51.56 39.53 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 177.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.09 -50.88 43.77 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 123.913 0.768 . . . . 0.0 111.324 175.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 7.8 tt -54.59 -55.62 27.47 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.623 0.769 . . . . 0.0 109.445 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 8.9 mp -54.13 -49.74 68.5 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 118.279 0.491 . . . . 0.0 110.642 177.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 48.1 mt -64.53 -31.07 52.09 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 123.354 0.661 . . . . 0.0 112.256 -175.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -84.47 -51.0 4.04 Favored Glycine 0 CA--C 1.532 1.105 0 C-N-CA 124.171 0.891 . . . . 0.0 111.78 179.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 7.5 tt -58.67 -32.79 47.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 O-C-N 122.047 -0.678 . . . . 0.0 109.938 -177.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -35.79 -43.85 0.32 Allowed 'General case' 0 C--N 1.343 0.319 0 C-N-CA 126.109 1.764 . . . . 0.0 113.772 168.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -94.31 -46.26 7.13 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 120.792 0.329 . . . . 0.0 111.505 -178.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 8.8 mmtm -48.3 -33.55 9.03 Favored 'General case' 0 N--CA 1.462 0.127 0 N-CA-C 117.408 2.374 . . . . 0.0 117.408 -167.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . 0.269 14.1 m-30 -55.87 143.72 30.57 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.215 0.916 . . . . 0.0 112.975 -168.169 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 16.9 m 71.49 -28.54 0.18 Allowed 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 127.736 2.415 . . . . 0.0 113.081 -166.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 53.3 33.2 45.75 Favored Glycine 0 CA--C 1.529 0.914 0 CA-C-N 119.791 1.178 . . . . 0.0 111.937 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -154.58 -82.11 0.08 Allowed 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 -174.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 49.1 mp0 -64.28 -72.9 0.13 Allowed 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.041 0.536 . . . . 0.0 110.444 177.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.56 -75.23 0.27 Allowed Glycine 0 CA--C 1.525 0.69 0 C-N-CA 124.892 1.234 . . . . 0.0 110.995 -177.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 24.7 t0 48.19 -65.87 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 129.192 2.997 . . . . 0.0 117.184 171.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 48.9 mttp -102.37 -34.15 9.29 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 128.118 2.567 . . . . 0.0 111.014 -173.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 35.0 p80 -120.76 -158.38 0.75 Allowed 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.67 0.788 . . . . 0.0 110.926 -169.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 15.1 p -44.7 140.74 2.34 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 126.412 1.885 . . . . 0.0 111.239 171.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 52.0 mt -70.47 124.52 24.4 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.07 60.79 4.37 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 124.199 1.0 . . . . 0.0 109.914 -175.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp 68.71 -76.93 0.05 Allowed 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 124.57 1.148 . . . . 0.0 112.898 172.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -55.06 -45.63 75.32 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 119.484 1.038 . . . . 0.0 110.729 -170.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -44.82 -39.34 5.22 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.789 0.836 . . . . 0.0 112.797 172.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.58 -36.41 69.33 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 119.091 0.86 . . . . 0.0 110.775 -178.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 27.8 mmtt -62.91 -24.58 67.91 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 120.988 -1.07 . . . . 0.0 113.133 -177.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -60.15 -49.69 76.65 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-O 122.187 0.994 . . . . 0.0 109.023 172.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 tt -54.04 -54.03 44.92 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 114.726 -1.124 . . . . 0.0 109.144 177.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . 0.282 0.8 OUTLIER -63.98 -43.13 97.57 Favored 'Isoleucine or valine' 0 C--N 1.341 0.219 0 C-N-CA 119.037 -1.065 . . . . 0.0 111.815 -173.579 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -67.85 -45.87 73.39 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 118.764 -1.175 . . . . 0.0 111.12 -177.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -94.26 -90.18 0.21 Allowed 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 16.2 mp0 -47.92 -29.27 3.21 Favored 'General case' 0 N--CA 1.462 0.141 0 N-CA-C 116.701 2.111 . . . . 0.0 116.701 -165.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 70.2 mt -54.49 -22.44 12.86 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 119.844 1.202 . . . . 0.0 113.023 174.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 31.1 m 77.76 -58.49 0.47 Allowed 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 125.063 1.345 . . . . 0.0 112.34 169.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 pp 27.99 59.43 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 128.02 2.528 . . . . 0.0 114.882 169.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -117.95 -170.6 15.1 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 125.259 1.409 . . . . 0.0 111.015 -178.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 5.6 m 75.74 -55.12 0.62 Allowed 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 125.513 1.525 . . . . 0.0 113.152 168.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -74.69 -64.62 1.0 Allowed 'General case' 0 CA--C 1.528 0.122 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 174.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 11.0 mp -110.59 136.88 49.03 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 102.163 -3.273 . . . . 0.0 102.163 168.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -84.11 53.17 2.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 118.963 0.801 . . . . 0.0 109.389 -174.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.4 ' OD2' ' NZ ' ' B' ' 55' ' ' LYS . 40.1 t0 61.72 165.67 0.1 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.887 1.675 . . . . 0.0 111.248 -171.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . 176.59 156.04 0.25 Allowed 'General case' 0 C--O 1.231 0.114 0 C-N-CA 126.07 1.748 . . . . 0.0 109.316 177.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -49.06 -41.97 37.02 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.562 1.145 . . . . 0.0 109.657 169.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 80.4 mt -56.01 -45.47 80.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 C-N-CA 124.111 0.964 . . . . 0.0 110.432 175.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 87.3 t -69.51 -43.01 80.96 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 -177.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.4 ' NZ ' ' OD2' ' B' ' 50' ' ' ASP . 40.6 mttm -59.09 -39.31 81.78 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 121.955 -0.466 . . . . 0.0 110.392 175.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 10.1 tt -61.9 -47.67 83.92 Favored 'General case' 0 C--O 1.225 -0.23 0 C-N-CA 123.426 0.691 . . . . 0.0 109.961 174.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 13.2 tpt -52.25 -49.22 64.48 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.928 0.786 . . . . 0.0 109.943 173.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -69.1 0.01 5.25 Favored 'General case' 0 C--N 1.333 -0.123 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -62.28 -7.68 4.65 Favored 'General case' 0 CA--C 1.539 0.519 0 O-C-N 121.15 -0.969 . . . . 0.0 111.073 168.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 18.9 mt -41.45 -11.06 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 128.172 2.589 . . . . 0.0 114.798 168.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -49.43 -21.0 0.8 Allowed 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.198 -0.939 . . . . 0.0 111.144 163.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -39.97 -37.97 0.65 Allowed 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.665 1.186 . . . . 0.0 111.642 166.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -48.2 -30.2 4.45 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -177.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.58 43.91 2.11 Favored 'General case' 0 CA--C 1.53 0.173 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 169.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 19.3 t70 19.36 56.4 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 128.196 2.598 . . . . 0.0 113.614 -169.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . 0.282 10.2 pt20 49.5 10.61 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 117.395 2.368 . . . . 0.0 117.395 -179.367 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -83.38 62.76 6.91 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 106.063 -1.828 . . . . 0.0 106.063 169.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -74.13 135.21 27.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 116.183 1.92 . . . . 0.0 116.183 -163.308 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -99.88 155.15 17.83 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 125.548 1.539 . . . . 0.0 107.049 165.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -52.76 -43.61 65.91 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 118.31 0.505 . . . . 0.0 110.769 -178.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -40.88 -56.54 2.2 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.434 1.094 . . . . 0.0 110.902 171.276 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -76.59 -45.78 28.91 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 125.38 1.472 . . . . 0.0 110.2 -168.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -47.21 -49.13 23.56 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.875 1.67 . . . . 0.0 108.755 170.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 21.1 mm -67.96 -45.4 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 CA-C-O 118.286 -0.864 . . . . 0.0 111.519 175.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 48.9 m -47.65 -51.33 21.92 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 119.97 1.259 . . . . 0.0 108.734 177.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -59.45 -58.98 6.22 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 126.251 1.821 . . . . 0.0 111.521 178.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 14.7 mt -49.99 -46.82 52.97 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.455 0.571 . . . . 0.0 111.505 177.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -62.84 -46.39 93.71 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 125.742 1.639 . . . . 0.0 112.279 178.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.96 -54.53 45.58 Favored 'General case' 0 C--N 1.338 0.104 0 CA-C-N 117.989 0.895 . . . . 0.0 108.873 176.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.15 -30.44 71.59 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.384 -178.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.86 -41.72 71.14 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-N 119.498 1.044 . . . . 0.0 112.102 175.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 59.8 mtm -61.83 -16.62 51.61 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 118.753 -0.641 . . . . 0.0 112.213 176.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 25.1 mt -91.27 -71.79 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 124.947 1.299 . . . . 0.0 109.14 169.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -63.45 -39.11 93.61 Favored 'General case' 0 N--CA 1.464 0.252 0 O-C-N 120.513 -1.367 . . . . 0.0 112.264 -170.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -93.68 24.5 4.05 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.991 1.316 . . . . 0.0 111.934 173.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -34.91 -42.6 0.16 Allowed 'General case' 0 C--O 1.239 0.517 0 N-CA-C 116.746 2.128 . . . . 0.0 116.746 -169.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . 0.417 ' O ' ' OXT' ' B' ' 90' ' ' GLY . . . -51.34 -19.69 1.41 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 126.412 1.885 . . . . 0.0 113.318 -179.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 1.9 pp -51.73 -32.18 29.43 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 118.363 0.529 . . . . 0.0 111.343 171.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -76.24 63.45 1.9 Allowed 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 169.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . 0.417 ' OXT' ' O ' ' B' ' 87' ' ' ALA . . . . . . . . 0 C--O 1.269 2.33 0 N-CA-C 108.355 -1.898 . . . . 0.0 108.355 -169.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.6 ptp . . . . . 0 CA--C 1.534 0.355 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.97 -115.7 0.3 Allowed 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.739 1.216 . . . . 0.0 110.64 -172.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 p -84.34 109.19 17.8 Favored Pre-proline 0 N--CA 1.451 -0.421 0 CA-C-O 116.19 -1.862 . . . . 0.0 108.451 -170.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_exo -25.53 -30.97 0.01 OUTLIER 'Trans proline' 0 C--N 1.351 0.668 1 C-N-CA 128.393 6.062 . . . . 0.0 120.719 -168.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.1 mp -51.66 -42.51 62.15 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 119.818 1.19 . . . . 0.0 109.832 169.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -55.13 -54.16 46.76 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.087 0.955 . . . . 0.0 110.382 178.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -60.98 -43.96 98.06 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 125.242 1.417 . . . . 0.0 110.198 178.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.35 -46.0 92.07 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 122.91 0.484 . . . . 0.0 111.524 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.8 mt -57.88 -54.7 28.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 172.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -44.86 -43.87 8.47 Favored Glycine 0 C--N 1.337 0.624 0 C-N-CA 126.568 2.032 . . . . 0.0 111.89 -179.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.9 tp -82.1 -65.66 0.98 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 117.988 0.894 . . . . 0.0 110.941 173.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 68.4 mt -63.66 -51.7 63.95 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 -165.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.3 mt -77.05 -30.95 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 CA-C-N 119.751 1.16 . . . . 0.0 109.596 174.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.63 -81.96 0.06 OUTLIER Glycine 0 CA--C 1.528 0.88 0 CA-C-O 118.585 -1.12 . . . . 0.0 111.636 173.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.2 mp -38.69 -57.6 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 126.38 1.872 . . . . 0.0 110.565 -177.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -31.14 -58.17 0.23 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.983 1.713 . . . . 0.0 113.438 170.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -95.55 -4.82 44.02 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 116.952 2.204 . . . . 0.0 116.952 173.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 tmmm? -67.57 -53.77 25.5 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 106.221 -1.77 . . . . 0.0 106.221 172.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.407 ' O ' ' HB2' ' A' ' 20' ' ' SER . 47.5 m-85 -68.82 149.73 48.62 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 105.223 -2.14 . . . . 0.0 105.223 166.281 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.407 ' HB2' ' O ' ' A' ' 19' ' ' TYR . 60.6 m 78.18 -49.17 0.48 Allowed 'General case' 0 CA--C 1.528 0.101 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 -165.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.21 -48.74 66.89 Favored Glycine 0 CA--C 1.529 0.919 0 N-CA-C 109.641 -1.383 . . . . 0.0 109.641 171.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -45.66 -64.1 0.81 Allowed 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 125.344 1.458 . . . . 0.0 111.994 177.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -67.2 -41.88 85.11 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -178.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.55 114.06 0.41 Allowed Glycine 0 CA--C 1.527 0.789 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 -177.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.443 ' CG ' ' HZ2' ' A' ' 26' ' ' LYS . 29.9 t70 78.17 148.28 0.1 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 127.624 2.37 . . . . 0.0 115.714 168.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.443 ' HZ2' ' CG ' ' A' ' 25' ' ' ASP . 0.0 OUTLIER -76.23 93.68 3.43 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.344 1.058 . . . . 0.0 110.061 179.575 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 20.4 p80 -137.81 -175.31 4.04 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 124.017 0.927 . . . . 0.0 109.222 175.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.9 p -66.96 151.88 46.8 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 127.268 2.227 . . . . 0.0 108.599 175.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 72.1 mt -70.37 106.46 3.39 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.044 0.938 . . . . 0.0 109.996 -170.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.9 p -76.67 63.48 2.13 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.896 0.878 . . . . 0.0 112.578 -178.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.309 0.0 OUTLIER 61.12 -66.97 0.06 Allowed 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 128.286 2.634 . . . . 0.0 115.808 173.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.403 ' HG3' ' HZ2' ' A' ' 32' ' ' LYS . 4.9 pttp -51.59 -42.98 62.31 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.634 0.774 . . . . 0.0 110.132 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -40.94 -56.78 2.16 Favored 'General case' 0 C--O 1.222 -0.387 0 C-N-CA 123.752 0.821 . . . . 0.0 111.368 170.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.424 HD11 ' CZ ' ' A' ' 76' ' ' PHE . 1.3 tm? -61.11 -46.6 89.94 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 -170.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -62.98 -36.89 85.03 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 121.018 0.437 . . . . 0.0 110.614 179.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -68.24 -34.7 76.69 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.255 1.022 . . . . 0.0 111.38 176.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 tt -73.87 -61.08 1.97 Allowed 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 127.259 2.224 . . . . 0.0 110.453 -174.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.4 tt -46.29 -34.74 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 C-N-CA 125.579 1.551 . . . . 0.0 113.116 -169.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -58.46 -56.13 26.12 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 122.904 0.482 . . . . 0.0 111.804 176.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . 0.315 12.6 pttm -97.63 -83.14 0.4 Allowed 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 118.537 2.792 . . . . 0.0 118.537 -168.586 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . 0.252 22.1 mt-10 -57.8 -39.2 76.98 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 116.46 2.022 . . . . 0.0 116.46 -163.486 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . 0.261 0.4 OUTLIER -75.22 24.27 0.1 Allowed 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 115.376 1.621 . . . . 0.0 115.376 -175.598 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.9 m 81.68 -82.88 0.02 OUTLIER 'General case' 0 C--O 1.227 -0.109 0 C-N-CA 125.377 1.471 . . . . 0.0 110.337 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.289 11.3 tp 57.68 -34.06 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 130.703 3.601 . . . . 0.0 116.295 -178.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -52.84 -33.1 42.37 Favored Glycine 0 CA--C 1.528 0.881 0 C-N-CA 124.738 1.161 . . . . 0.0 112.045 178.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 p -54.92 -27.04 40.19 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 125.102 1.361 . . . . 0.0 112.261 174.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 45.6 tttt -72.08 31.5 0.06 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.636 1.174 . . . . 0.0 112.12 172.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.5 mt 51.18 60.15 4.09 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.843 1.257 . . . . 0.0 109.315 -173.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.5 tp60 72.68 -47.83 0.67 Allowed 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 126.641 1.976 . . . . 0.0 112.324 -173.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 46.8 t0 103.25 162.85 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 129.654 3.182 . . . . 0.0 109.467 -172.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -115.2 119.4 36.23 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 126.153 1.781 . . . . 0.0 106.794 174.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.445 ' CD ' ' HZ3' ' A' ' 55' ' ' LYS . 43.7 mm-40 -62.64 -36.3 82.37 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 118.471 0.578 . . . . 0.0 110.848 -170.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 20.3 tt -53.47 -37.37 29.93 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.259 170.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.7 t -80.63 -34.38 14.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-N 118.397 0.544 . . . . 0.0 110.29 175.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.445 ' HZ3' ' CD ' ' A' ' 52' ' ' GLU . 2.3 ttmp? -53.91 -42.21 68.5 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 120.814 -1.179 . . . . 0.0 110.427 173.406 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.9 mp -61.28 -13.57 19.88 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.235 1.014 . . . . 0.0 113.116 174.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 73.2 mtp -91.09 -49.49 6.37 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 168.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.514 ' C ' ' H ' ' A' ' 60' ' ' LEU . 87.5 m-20 -73.18 -6.61 46.93 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 114.922 1.452 . . . . 0.0 114.922 -172.248 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . 0.254 4.3 p-10 -70.2 32.52 0.04 OUTLIER 'General case' 0 CA--C 1.557 1.228 0 CA-C-N 119.925 1.239 . . . . 0.0 109.861 163.501 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.514 ' H ' ' C ' ' A' ' 58' ' ' ASP . 4.0 pp -57.11 -6.72 0.41 Allowed 'General case' 0 C--N 1.347 0.474 0 C-N-CA 130.739 3.616 . . . . 0.0 113.794 -170.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -47.48 -27.86 1.93 Allowed 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 163.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.6 ttm-85 -30.35 -44.85 0.06 Allowed 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 126.485 1.914 . . . . 0.0 112.555 167.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -43.75 -48.5 8.04 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 126.134 1.773 . . . . 0.0 113.898 -177.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -125.43 83.43 2.16 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 117.928 -1.034 . . . . 0.0 109.23 -175.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.1 p30 57.66 -15.57 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 117.665 2.468 . . . . 0.0 117.665 168.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . 0.25 25.3 mt-30 77.7 -9.2 1.55 Allowed 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 127.47 2.308 . . . . 0.0 113.228 178.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.13 82.63 5.28 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 104.347 -2.464 . . . . 0.0 104.347 166.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.7 m -94.92 138.71 20.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-O 121.366 0.603 . . . . 0.0 111.972 -171.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -98.85 -175.91 3.19 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 124.043 0.937 . . . . 0.0 108.841 176.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -52.36 -38.13 58.01 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 119.03 -0.51 . . . . 0.0 110.486 -179.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -55.2 -65.55 0.57 Allowed 'General case' 0 C--O 1.234 0.256 0 CA-C-N 118.764 0.711 . . . . 0.0 111.647 178.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -66.28 -39.98 89.78 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 118.233 -1.387 . . . . 0.0 109.0 -171.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -46.25 -60.94 2.01 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.083 0.953 . . . . 0.0 111.465 172.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 8.2 tp -71.51 -35.18 55.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 O-C-N 121.666 -0.647 . . . . 0.0 110.466 -172.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 31.0 m -60.78 -45.14 95.51 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 176.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.424 ' CZ ' HD11 ' A' ' 34' ' ' LEU . 3.1 t80 -59.46 -55.26 36.88 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 125.138 1.375 . . . . 0.0 110.579 174.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 33.0 mt -49.88 -55.57 13.86 Favored 'General case' 0 C--O 1.225 -0.205 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 177.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.09 -53.36 43.1 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.762 -0.535 . . . . 0.0 111.762 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.03 -56.24 24.56 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -175.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 86.9 mt -63.86 -43.97 94.51 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 119.54 -0.267 . . . . 0.0 110.51 -177.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.53 -43.15 75.48 Favored 'General case' 0 CA--C 1.523 -0.096 0 CA-C-N 118.378 0.535 . . . . 0.0 110.957 178.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.464 ' HA ' HD13 ' A' ' 88' ' ' LEU . 3.3 ttt -55.73 -27.61 51.5 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 177.474 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.2 mp -83.86 -72.52 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 168.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -56.89 -44.15 82.03 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 114.849 1.425 . . . . 0.0 114.849 -167.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . 0.27 40.6 m-20 -77.23 31.79 0.15 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.028 1.331 . . . . 0.0 112.565 177.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -16.6 -52.83 0.0 OUTLIER 'General case' 0 C--N 1.344 0.367 0 C-N-CA 130.254 3.422 . . . . 0.0 115.978 -170.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.002 ' O ' ' OXT' ' A' ' 90' ' ' GLY . . . -32.94 -37.73 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 126.386 1.874 . . . . 0.0 113.584 172.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.464 HD13 ' HA ' ' A' ' 82' ' ' MET . 0.3 OUTLIER -32.1 -50.43 0.22 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.838 1.655 . . . . 0.0 113.012 169.564 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -81.06 66.43 6.59 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 176.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 1.002 ' OXT' ' O ' ' A' ' 87' ' ' ALA . . . . . . . . 0 C--O 1.27 2.396 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 -176.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.538 0.488 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 49.42 32.44 4.65 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.118 1.367 . . . . 0.0 113.209 169.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 37.9 m -106.39 172.05 4.24 Favored Pre-proline 0 CA--C 1.537 0.47 0 C-N-CA 126.215 1.806 . . . . 0.0 107.277 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -41.67 -48.09 5.85 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.824 3.016 . . . . 0.0 115.46 -169.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 10.9 mp -55.15 -42.96 73.76 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 122.899 0.48 . . . . 0.0 111.707 178.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -76.3 -45.07 34.1 Favored 'General case' 0 C--O 1.226 -0.178 0 O-C-N 121.81 -0.556 . . . . 0.0 109.816 177.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -56.22 -30.33 62.21 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.377 0.671 . . . . 0.0 111.996 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.0 -43.14 77.4 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.644 -0.66 . . . . 0.0 111.52 170.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 26.2 mt -66.77 -43.78 89.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 169.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -38.72 -45.63 2.06 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 125.414 1.483 . . . . 0.0 112.868 172.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 33.6 tp -52.98 -37.25 61.17 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.954 1.377 . . . . 0.0 112.354 178.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.1 mp -64.84 -30.96 71.98 Favored 'General case' 0 CA--C 1.532 0.275 0 O-C-N 121.268 -0.895 . . . . 0.0 110.735 176.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 16.0 mt -67.08 -48.05 80.17 Favored 'Isoleucine or valine' 0 C--N 1.341 0.207 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 168.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -45.5 -50.02 10.89 Favored Glycine 0 CA--C 1.525 0.698 0 C-N-CA 124.659 1.123 . . . . 0.0 111.21 176.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 39.0 mm -68.16 -60.48 2.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 123.55 0.74 . . . . 0.0 110.175 176.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -39.13 -64.54 0.45 Allowed 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 125.261 1.424 . . . . 0.0 110.81 178.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . 0.34 1.6 m-70 -90.6 21.66 3.89 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 116.248 1.944 . . . . 0.0 116.248 178.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -59.13 -46.03 89.4 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 105.484 -2.043 . . . . 0.0 105.484 165.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -79.9 124.92 29.09 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 126.874 2.07 . . . . 0.0 108.837 169.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.5 p -47.92 -49.45 30.04 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 168.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 71.05 63.0 3.29 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 124.494 1.045 . . . . 0.0 113.472 -175.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 36.4 mmtm -30.99 -61.77 0.18 Allowed 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 -169.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -41.03 -32.38 0.24 Allowed 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 126.567 1.947 . . . . 0.0 114.375 -174.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -144.97 30.96 1.77 Allowed Glycine 0 CA--C 1.527 0.819 0 CA-C-O 119.609 -0.551 . . . . 0.0 112.655 175.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -27.74 -60.03 0.11 Allowed 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 126.878 2.071 . . . . 0.0 116.103 -168.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 19.6 mttp -63.04 -14.69 51.17 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.703 1.201 . . . . 0.0 113.153 -171.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -144.25 -68.21 0.32 Allowed 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 118.949 0.795 . . . . 0.0 111.203 -178.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.24 -177.46 6.65 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 127.884 2.474 . . . . 0.0 109.51 -177.23 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 10.0 tp -127.18 153.42 46.09 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.673 1.189 . . . . 0.0 109.244 -172.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 99.0 p -83.97 147.87 27.21 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.228 0.611 . . . . 0.0 109.448 177.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.78 -45.66 93.52 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 107.035 -1.469 . . . . 0.0 107.035 169.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.07 -54.16 39.57 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 117.93 -1.034 . . . . 0.0 111.307 -174.016 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -75.31 -28.92 59.87 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 119.606 1.094 . . . . 0.0 110.965 -177.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.428 HD23 ' O ' ' B' ' 34' ' ' LEU . 4.5 tt -58.59 -38.3 77.64 Favored 'General case' 0 C--N 1.341 0.236 0 C-N-CA 119.918 -0.713 . . . . 0.0 109.264 171.395 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.58 -49.35 62.28 Favored 'General case' 0 C--N 1.345 0.386 0 CA-C-N 119.485 1.038 . . . . 0.0 111.207 -176.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 25.8 mp0 -54.15 -51.94 62.7 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 119.783 1.174 . . . . 0.0 111.96 173.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 tt -47.38 -58.65 3.92 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.178 1.391 . . . . 0.0 110.311 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -68.4 -48.49 72.58 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.242 0 O-C-N 122.039 -0.413 . . . . 0.0 110.729 -179.287 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -46.2 -58.21 3.86 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.45 1.1 . . . . 0.0 111.181 -177.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 6.4 tptp -97.34 -42.62 7.68 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 -172.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -91.92 -71.22 0.65 Allowed 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 -164.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . 0.275 1.0 OUTLIER -79.42 3.17 19.26 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 -167.184 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.2 p -76.46 -107.48 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.901 1.228 . . . . 0.0 111.018 174.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 15.1 mt -94.51 -32.53 4.66 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 C-N-CA 123.868 0.867 . . . . 0.0 108.758 -177.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.22 62.49 1.57 Allowed Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 108.998 -1.641 . . . . 0.0 108.998 -179.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 5.8 m 73.44 -29.3 0.2 Allowed 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 115.334 1.605 . . . . 0.0 115.334 169.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 33.4 mttp -39.21 -58.26 1.2 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.062 1.745 . . . . 0.0 113.297 -170.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.34 43.14 2.68 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.825 0.85 . . . . 0.0 109.786 170.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 53.92 43.19 31.22 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.742 1.617 . . . . 0.0 112.018 178.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 54.41 -146.4 0.56 Allowed 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.862 1.265 . . . . 0.0 111.792 171.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -162.27 94.53 0.9 Allowed 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 119.322 0.964 . . . . 0.0 112.4 -169.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . 0.422 ' OE1' ' NZ ' ' B' ' 55' ' ' LYS . 26.7 mm-40 -48.12 -40.59 24.06 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.495 1.118 . . . . 0.0 111.385 169.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 38.4 mm -56.74 -42.8 78.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 123.543 0.737 . . . . 0.0 110.693 177.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 74.6 t -68.9 -47.68 74.58 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.204 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 176.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.422 ' NZ ' ' OE1' ' B' ' 52' ' ' GLU . 23.8 ttpt -50.8 -44.89 59.12 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 122.744 0.418 . . . . 0.0 111.702 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 9.3 tt -51.27 -39.16 56.15 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.437 0.695 . . . . 0.0 111.461 176.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 28.0 ttt -77.35 -55.64 5.23 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 176.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -56.69 -23.85 44.92 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 124.409 1.083 . . . . 0.0 112.594 -173.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -49.65 -15.67 0.18 Allowed 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 119.027 0.831 . . . . 0.0 112.977 169.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 7.6 tt -43.04 -22.62 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 128.679 2.792 . . . . 0.0 112.48 165.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -45.77 -28.52 1.07 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 119.796 1.18 . . . . 0.0 111.418 167.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.57 13.21 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 115.184 1.55 . . . . 0.0 115.184 171.088 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -28.46 -57.45 0.12 Allowed 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 128.302 2.641 . . . . 0.0 114.415 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 18.6 pttm -120.17 20.95 11.95 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.63 1.172 . . . . 0.0 110.326 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 7.5 t0 25.68 41.52 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 130.579 3.552 . . . . 0.0 113.268 -167.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -149.44 145.27 26.84 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 -179.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 28.59 81.67 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 127.049 2.14 . . . . 0.0 114.295 169.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 16.4 t -70.22 119.66 16.69 Favored 'Isoleucine or valine' 0 C--O 1.231 0.117 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 -178.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -92.24 169.57 10.5 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.305 0.574 . . . . 0.0 110.503 178.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -54.19 -43.84 71.05 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.809 0.844 . . . . 0.0 110.95 -178.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -59.1 -44.96 91.98 Favored 'General case' 0 N--CA 1.456 -0.158 0 O-C-N 121.953 -0.467 . . . . 0.0 110.511 179.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -61.39 -60.29 3.94 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 176.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -39.32 -52.97 2.0 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 125.39 1.476 . . . . 0.0 112.348 176.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 5.2 tp -75.12 -16.1 15.93 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -170.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 98.6 m -55.47 -56.19 23.02 Favored 'General case' 0 C--N 1.341 0.238 0 CA-C-N 118.82 0.736 . . . . 0.0 111.78 -170.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.83 -43.95 94.69 Favored 'General case' 0 CA--C 1.521 -0.146 0 O-C-N 122.046 -0.409 . . . . 0.0 110.118 -177.363 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -43.24 -55.96 3.72 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.16 0.584 . . . . 0.0 110.005 170.423 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.99 -53.72 38.34 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 124.18 0.895 . . . . 0.0 112.659 176.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.57 -49.03 77.71 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 118.006 0.903 . . . . 0.0 111.557 -177.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 52.2 mt -73.44 -26.67 61.04 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.335 1.054 . . . . 0.0 111.593 -176.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -31.1 -66.93 0.1 Allowed 'General case' 0 C--O 1.222 -0.38 0 C-N-CA 127.152 2.181 . . . . 0.0 113.664 -172.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 51.9 mtp -72.28 -13.62 61.55 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -170.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . 0.403 HD12 ' N ' ' B' ' 83' ' ' ILE . 3.5 mp -82.09 -65.61 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 106.829 -1.545 . . . . 0.0 106.829 172.264 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . 0.356 0.0 OUTLIER -79.41 32.95 0.24 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.363 1.465 . . . . 0.0 113.08 -177.242 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -41.59 -36.04 0.85 Allowed 'General case' 0 C--O 1.232 0.136 0 N-CA-C 116.884 2.179 . . . . 0.0 116.884 -167.05 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.982 ' O ' ' OXT' ' B' ' 90' ' ' GLY . 0.0 OUTLIER -73.57 -51.59 16.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 119.444 1.02 . . . . 0.0 108.604 173.806 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.4 -29.04 67.44 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 124.589 1.156 . . . . 0.0 112.539 -176.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.45 -33.42 44.26 Favored 'General case' 0 C--N 1.342 0.273 0 CA-C-N 118.642 0.655 . . . . 0.0 109.578 178.239 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.91 51.6 2.02 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 170.756 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . 0.982 ' OXT' ' O ' ' B' ' 86' ' ' GLU . . . . . . . . 0 C--O 1.27 2.358 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.8 mtm . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.34 105.47 0.51 Allowed 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 124.672 1.189 . . . . 0.0 108.549 175.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.7 p -64.9 170.84 3.56 Favored Pre-proline 0 C--N 1.327 -0.375 0 C-N-CA 123.664 0.786 . . . . 0.0 109.679 175.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -54.21 -30.52 61.83 Favored 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 121.655 1.57 . . . . 0.0 112.054 168.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.422 ' H ' HD12 ' A' ' 5' ' ' LEU . 5.2 mp -69.56 -51.62 33.77 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.363 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -53.49 -49.03 68.38 Favored 'General case' 0 C--O 1.227 -0.116 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 176.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -54.51 -54.99 33.78 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.933 0.893 . . . . 0.0 110.926 176.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.86 -51.51 67.28 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.11 0.564 . . . . 0.0 110.916 -178.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.2 mt -53.77 -47.67 62.37 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 174.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.59 -47.54 29.59 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 125.689 1.614 . . . . 0.0 112.211 173.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.11 -52.36 65.69 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 118.907 1.354 . . . . 0.0 110.403 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -57.64 -44.66 85.78 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 122.451 0.3 . . . . 0.0 111.135 -179.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 36.6 mt -63.17 -44.17 99.22 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 123.941 0.896 . . . . 0.0 110.236 175.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.16 -63.91 4.89 Favored Glycine 0 CA--C 1.525 0.71 0 C-N-CA 125.061 1.315 . . . . 0.0 110.684 -179.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.1 tp -61.08 -36.65 73.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 C-N-CA 123.309 0.643 . . . . 0.0 110.863 -169.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -30.69 -66.46 0.1 Allowed 'General case' 0 C--N 1.344 0.347 0 C-N-CA 126.338 1.855 . . . . 0.0 112.504 177.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -90.52 -6.22 55.03 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 -179.251 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.18 -43.23 78.6 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 106.66 -1.608 . . . . 0.0 106.66 169.091 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 -75.85 67.52 2.26 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.632 0.773 . . . . 0.0 109.924 174.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 75.2 m -102.64 34.92 2.63 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.1 0.96 . . . . 0.0 109.494 169.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 85.64 -53.34 4.7 Favored Glycine 0 C--N 1.338 0.649 0 N-CA-C 110.135 -1.186 . . . . 0.0 110.135 178.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.4 tptp -151.56 163.65 38.58 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 128.358 2.663 . . . . 0.0 104.139 169.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.0 mp0 -62.73 109.03 1.29 Allowed 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.356 0.598 . . . . 0.0 109.594 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.53 160.92 17.49 Favored Glycine 0 CA--C 1.526 0.769 0 C-N-CA 127.526 2.489 . . . . 0.0 106.906 -177.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -79.08 40.83 0.42 Allowed 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 118.967 1.384 . . . . 0.0 113.372 -169.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.77 53.87 2.27 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 168.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -52.05 160.75 0.69 Allowed 'General case' 0 N--CA 1.44 -0.97 0 C-N-CA 125.808 1.643 . . . . 0.0 109.302 174.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 73.7 p 63.58 151.69 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 127.132 2.173 . . . . 0.0 109.105 -168.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.3 mp -109.62 58.95 0.6 Allowed 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 -166.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.3 p -65.34 71.9 0.05 OUTLIER 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 115.348 1.61 . . . . 0.0 115.348 -177.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.251 12.9 tptt 66.38 -55.12 0.4 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 128.863 2.865 . . . . 0.0 115.769 173.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.58 -10.78 58.03 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.828 1.195 . . . . 0.0 112.29 179.54 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.0 mp0 -90.64 -51.5 5.36 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 128.065 2.546 . . . . 0.0 107.375 167.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tp -50.68 -34.45 26.64 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 118.545 -0.74 . . . . 0.0 111.854 -178.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.2 pptp? -38.92 -40.99 0.7 Allowed 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.235 1.014 . . . . 0.0 113.297 171.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -64.26 -34.33 77.86 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.404 1.082 . . . . 0.0 111.372 -177.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 tt -91.01 -53.93 4.17 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 127.52 2.328 . . . . 0.0 111.231 -175.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.1 tt -61.49 -44.64 98.92 Favored 'Isoleucine or valine' 0 CA--C 1.524 -0.039 0 C-N-CA 124.842 1.257 . . . . 0.0 112.294 -169.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -65.71 -47.81 74.12 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -92.48 -94.21 0.15 Allowed 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.087 0.955 . . . . 0.0 113.268 -170.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.2 mp0 -58.03 -32.19 67.74 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 -165.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.6 mt -53.63 -32.72 52.45 Favored 'General case' 0 C--O 1.224 -0.265 0 C-N-CA 118.589 -1.244 . . . . 0.0 111.856 175.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.0 m 63.25 41.87 7.5 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 119.977 1.262 . . . . 0.0 109.835 -179.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 32.4 pt -51.98 -33.88 16.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 C-N-CA 123.47 0.708 . . . . 0.0 112.167 -175.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -44.3 -34.74 3.49 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 124.358 0.98 . . . . 0.0 113.275 173.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.3 m -56.98 -45.0 83.26 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 118.195 0.997 . . . . 0.0 110.959 177.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -83.13 58.29 4.37 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 121.673 0.749 . . . . 0.0 109.189 174.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 56.0 tp -46.64 106.12 0.08 Allowed 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 126.822 2.049 . . . . 0.0 110.956 -173.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.0 mm100 34.95 60.04 0.68 Allowed 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.451 1.501 . . . . 0.0 114.404 -169.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -52.01 153.56 2.59 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 107.427 -1.324 . . . . 0.0 107.427 164.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.54 122.6 9.22 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -172.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -52.11 -37.08 53.0 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 121.505 0.669 . . . . 0.0 110.488 -178.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 40.1 mm -62.13 -38.4 80.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 124.121 0.969 . . . . 0.0 110.724 176.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 72.4 t -70.05 -51.91 35.36 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.27 0 CA-C-O 118.203 -0.903 . . . . 0.0 108.914 174.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.3 mttp -48.71 -46.43 40.72 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 119.271 0.941 . . . . 0.0 110.692 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.4 tp -46.93 -35.19 6.21 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.823 0.849 . . . . 0.0 112.249 177.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.7 mmt -91.52 -43.46 9.66 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.447 1.099 . . . . 0.0 111.807 176.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.491 ' C ' ' H ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -71.05 -9.11 57.47 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 127.64 2.376 . . . . 0.0 113.446 -174.403 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -68.51 28.98 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.372 1.069 . . . . 0.0 108.578 160.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.491 ' H ' ' C ' ' A' ' 58' ' ' ASP . 48.5 tp -37.4 -30.04 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.577 1 C-N-CA 131.705 4.002 . . . . 0.0 114.651 -167.299 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -37.67 -34.93 0.12 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.98 0.912 . . . . 0.0 110.887 165.442 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -40.85 -35.25 0.48 Allowed 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 127.557 2.343 . . . . 0.0 112.926 176.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -62.82 -34.29 77.0 Favored 'General case' 0 C--N 1.339 0.151 0 C-N-CA 122.848 0.459 . . . . 0.0 111.298 -176.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.4 mmtm 67.53 -54.91 0.48 Allowed 'General case' 0 C--N 1.34 0.195 0 C-N-CA 126.74 2.016 . . . . 0.0 114.225 176.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 53.66 61.71 2.97 Favored 'General case' 0 CA--C 1.528 0.103 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 -169.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . 0.424 1.5 pp0? 66.23 -44.19 0.4 Allowed 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 129.243 3.017 . . . . 0.0 115.027 -169.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.64 134.35 4.5 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 106.518 -1.66 . . . . 0.0 106.518 177.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.37 98.23 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 CA-C-O 122.419 1.104 . . . . 0.0 108.241 -171.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -75.97 172.58 12.49 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 113.982 -1.463 . . . . 0.0 109.06 170.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -48.79 -39.16 24.2 Favored 'General case' 0 C--O 1.22 -0.476 0 C-N-CA 123.32 0.648 . . . . 0.0 109.997 173.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -42.61 -74.52 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.831 1.253 . . . . 0.0 111.307 169.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -59.02 -44.14 91.66 Favored 'General case' 0 N--CA 1.455 -0.18 0 O-C-N 121.563 -0.71 . . . . 0.0 110.761 -175.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -46.47 -53.88 10.31 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.238 1.415 . . . . 0.0 111.067 174.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 7.6 tp -76.86 -39.44 30.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 O-C-N 121.684 -0.635 . . . . 0.0 110.905 -174.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 57.1 m -51.79 -53.72 36.82 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 119.409 1.004 . . . . 0.0 109.827 171.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -52.9 -54.96 27.09 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 125.237 1.415 . . . . 0.0 111.302 175.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.3 mt -52.66 -40.43 62.83 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 117.839 0.29 . . . . 0.0 111.091 174.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -62.09 -53.97 38.5 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.431 -1.068 . . . . 0.0 110.431 178.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.13 -48.43 67.9 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 124.049 0.939 . . . . 0.0 110.121 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 42.0 mt -58.79 -60.0 4.53 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 175.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -48.43 -49.35 35.56 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 125.984 1.714 . . . . 0.0 111.426 -172.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.62 ' HG3' HD11 ' A' ' 88' ' ' LEU . 17.0 ttt -44.89 -39.9 5.81 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 126.501 1.921 . . . . 0.0 111.702 176.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 48.0 mm -91.44 -61.13 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 C-N-CA 123.913 0.885 . . . . 0.0 110.902 -177.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -90.2 -29.33 18.3 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 116.366 1.987 . . . . 0.0 116.366 -166.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.464 HD22 ' C ' ' A' ' 85' ' ' ASN . 0.1 OUTLIER -91.55 -53.44 4.31 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-N 118.743 0.701 . . . . 0.0 110.404 -168.744 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -140.11 134.75 31.72 Favored 'General case' 0 N--CA 1.436 -1.149 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 -166.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -80.47 49.52 1.17 Allowed 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 125.243 1.417 . . . . 0.0 107.467 174.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.62 HD11 ' HG3' ' A' ' 82' ' ' MET . 33.5 mt 34.34 40.06 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 127.951 2.5 . . . . 0.0 114.194 -169.322 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.546 ' O ' ' OXT' ' A' ' 90' ' ' GLY . 35.3 mmtt 53.97 34.67 20.16 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.795 0.838 . . . . 0.0 110.78 -179.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.546 ' OXT' ' O ' ' A' ' 89' ' ' LYS . . . . . . . . 0 C--O 1.27 2.361 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -173.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.7 ttt . . . . . 0 N--CA 1.451 -0.409 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.9 58.63 0.85 Allowed 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 125.214 1.406 . . . . 0.0 110.508 179.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 33.4 t -61.13 144.92 90.58 Favored Pre-proline 0 CA--C 1.533 0.315 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 173.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_exo -44.81 -45.92 13.21 Favored 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 122.734 2.289 . . . . 0.0 113.028 174.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 pp -64.29 -33.6 76.2 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 178.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -67.41 -59.78 3.11 Favored 'General case' 0 C--O 1.225 -0.187 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 173.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 45.0 mm-40 -52.14 -32.62 36.48 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.835 0.854 . . . . 0.0 112.733 -178.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.15 -53.83 44.75 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.758 0.708 . . . . 0.0 111.357 171.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 58.3 mt -63.64 -40.92 90.82 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 174.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -42.89 -42.74 5.09 Favored Glycine 0 CA--C 1.523 0.572 0 C-N-CA 126.467 1.984 . . . . 0.0 113.079 171.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 61.4 tp -58.42 -55.3 36.84 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 119.151 1.476 . . . . 0.0 110.075 177.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 mp -58.86 -46.6 87.37 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 122.982 0.513 . . . . 0.0 109.635 -179.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 67.6 mt -59.2 -39.99 80.02 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 C-N-CA 122.537 0.335 . . . . 0.0 110.703 176.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.71 -66.33 2.89 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 109.226 -1.549 . . . . 0.0 109.226 174.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 25.4 mm -49.75 -44.57 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 125.358 1.463 . . . . 0.0 110.636 -178.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.474 ' HE2' HD13 ' A' ' 88' ' ' LEU . 3.4 t80 -36.58 -73.06 0.05 OUTLIER 'General case' 0 C--N 1.341 0.208 0 C-N-CA 124.85 1.26 . . . . 0.0 112.138 -177.093 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -90.37 20.71 4.29 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.65 -1.159 . . . . 0.0 112.441 -178.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -58.55 -46.9 85.89 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 168.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -78.35 59.41 2.33 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.16 0.984 . . . . 0.0 110.641 173.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 28.2 m -67.6 -15.44 63.65 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.64 -0.662 . . . . 0.0 112.264 172.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 144.38 -78.89 0.25 Allowed Glycine 0 C--N 1.337 0.622 0 N-CA-C 108.999 -1.641 . . . . 0.0 108.999 173.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . 0.504 0.0 OUTLIER 87.36 -23.7 0.12 Allowed 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 130.733 3.613 . . . . 0.0 113.943 -176.316 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.403 ' H ' ' CD ' ' B' ' 23' ' ' GLU . 10.6 mp0 -77.4 -37.02 52.8 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 107.483 -1.302 . . . . 0.0 107.483 167.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -144.08 -175.19 16.99 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 106.138 -2.785 . . . . 0.0 106.138 168.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -115.02 128.18 56.1 Favored 'General case' 0 CA--C 1.527 0.072 0 CA-C-N 117.716 0.758 . . . . 0.0 110.156 176.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -142.67 171.76 13.62 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 105.724 -1.954 . . . . 0.0 105.724 168.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -133.33 35.63 3.44 Favored 'General case' 0 C--N 1.332 -0.168 0 O-C-N 121.59 -0.694 . . . . 0.0 109.62 171.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 72.7 p -136.39 141.71 43.67 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 103.453 -2.795 . . . . 0.0 103.453 167.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 28.0 mt -101.05 86.53 3.06 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.073 0.949 . . . . 0.0 110.719 -167.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.4 m -79.46 64.59 4.39 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.761 0.824 . . . . 0.0 111.951 -168.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 50.6 tttp 65.76 -53.12 0.38 Allowed 'General case' 0 C--O 1.223 -0.34 0 C-N-CA 127.158 2.183 . . . . 0.0 114.289 178.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -55.95 -62.02 1.98 Allowed 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 120.106 1.321 . . . . 0.0 109.985 -179.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -38.62 -51.45 1.64 Allowed 'General case' 0 C--O 1.226 -0.16 0 C-N-CA 125.191 1.397 . . . . 0.0 110.455 169.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' B' ' 34' ' ' LEU . 5.8 tp -62.34 -44.46 96.43 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 125.252 1.421 . . . . 0.0 111.343 -173.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 39.3 tptt -65.66 -41.48 92.48 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 178.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.91 -38.45 91.13 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 120.764 0.316 . . . . 0.0 110.827 176.459 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.2 tt -61.34 -70.11 0.2 Allowed 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 126.277 1.831 . . . . 0.0 111.1 178.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . 0.511 ' HA ' ' HB3' ' B' ' 41' ' ' GLU . 11.3 tt -58.48 6.45 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.558 1.261 0 C-N-CA 127.567 2.347 . . . . 0.0 114.746 -168.226 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -93.73 -66.47 0.92 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.284 1.834 . . . . 0.0 112.312 172.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.48 32.94 1.02 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.687 1.995 . . . . 0.0 109.874 176.242 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.511 ' HB3' ' HA ' ' B' ' 38' ' ' ILE 0.302 0.0 OUTLIER -73.72 -115.09 0.01 OUTLIER 'General case' 0 N--CA 1.437 -1.116 0 N-CA-C 121.661 3.948 . . . . 0.0 121.661 -160.766 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.415 ' H ' ' CG ' ' B' ' 41' ' ' GLU . 11.3 mt -103.03 -61.44 1.41 Allowed 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 129.589 3.155 . . . . 0.0 111.71 -167.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 152.7 4.22 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.825 1 C-N-CA 132.196 4.198 . . . . 0.0 111.67 -171.47 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 65.8 mt -50.27 -36.26 12.91 Favored 'Isoleucine or valine' 0 C--N 1.342 0.262 0 CA-C-N 120.356 1.435 . . . . 0.0 110.968 178.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -34.16 -38.11 0.1 OUTLIER Glycine 0 CA--C 1.538 1.51 0 C-N-CA 125.272 1.415 . . . . 0.0 114.588 169.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 15.4 m -49.12 -25.9 2.41 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.968 1.307 . . . . 0.0 113.64 176.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -41.45 -46.17 3.36 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 127.712 2.405 . . . . 0.0 111.314 168.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 83.0 mt 55.93 -175.48 0.05 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.839 1.255 . . . . 0.0 111.122 -169.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 45.83 43.39 9.93 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.138 0.975 . . . . 0.0 111.055 -175.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -128.4 156.84 42.51 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 125.684 1.594 . . . . 0.0 108.774 -169.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -146.04 166.52 25.84 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 106.524 -1.658 . . . . 0.0 106.524 169.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -58.63 -29.07 66.23 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 118.931 -0.557 . . . . 0.0 111.632 175.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 37.9 mm -59.86 -36.7 68.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 C-N-CA 123.863 0.865 . . . . 0.0 110.605 170.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 10.6 t -77.63 -49.59 21.83 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 177.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 44.1 mttp -55.12 -37.88 67.45 Favored 'General case' 0 CA--C 1.53 0.183 0 O-C-N 121.993 -0.442 . . . . 0.0 111.185 179.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -47.68 -37.14 12.32 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.033 0.933 . . . . 0.0 110.769 174.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 76.7 mtm -81.46 -48.43 11.88 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 117.997 0.362 . . . . 0.0 110.541 174.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -46.59 -55.98 6.79 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 118.376 0.535 . . . . 0.0 111.734 -179.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . 0.254 3.4 p30 -45.42 -77.09 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.951 0.901 . . . . 0.0 112.457 -168.139 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.414 HD13 ' C ' ' B' ' 60' ' ' LEU . 3.2 tm? -93.09 -58.12 2.42 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 124.925 1.29 . . . . 0.0 110.264 -174.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.02 -30.92 2.91 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 126.457 1.903 . . . . 0.0 113.871 -164.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . 0.402 ' HG2' ' O ' ' B' ' 62' ' ' ARG 0.287 0.0 OUTLIER -75.05 16.71 0.28 Allowed 'General case' 0 CA--C 1.558 1.269 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 173.441 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -53.58 -58.91 5.47 Favored 'General case' 0 C--O 1.225 -0.203 0 C-N-CA 128.425 2.69 . . . . 0.0 114.718 -171.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . 0.28 12.2 pttt 70.41 -56.89 0.59 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.248 1.419 . . . . 0.0 113.834 -171.65 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . 0.301 2.7 p30 -90.54 -97.02 0.11 Allowed 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 -171.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.54 -157.68 0.84 Allowed 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 120.241 1.382 . . . . 0.0 110.654 -169.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.6 144.16 27.51 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 118.995 0.816 . . . . 0.0 110.617 -173.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 15.7 t -75.94 75.74 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-O 123.126 1.441 . . . . 0.0 111.078 -167.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -83.9 -177.35 6.65 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 126.744 2.018 . . . . 0.0 109.244 169.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -52.98 -43.94 66.81 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.093 0.557 . . . . 0.0 112.447 -172.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.6 -31.72 73.06 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 118.751 0.705 . . . . 0.0 111.315 -177.56 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.88 -46.33 21.66 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 -176.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -49.35 -53.1 24.01 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 168.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 11.6 mm -54.54 -44.88 70.35 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-O 118.624 -0.703 . . . . 0.0 111.111 176.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 62.0 m -45.72 -51.36 12.63 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 119.215 0.916 . . . . 0.0 112.444 -178.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . 0.256 6.2 p90 -64.8 -39.68 93.99 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 117.332 -1.747 . . . . 0.0 112.425 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 6.3 mp -55.12 -56.31 21.33 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 118.991 0.814 . . . . 0.0 109.641 172.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -49.16 -56.21 10.84 Favored Glycine 0 CA--C 1.526 0.751 0 C-N-CA 124.132 0.872 . . . . 0.0 112.059 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.34 -53.66 53.79 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 122.907 0.483 . . . . 0.0 111.394 -178.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 79.4 mt -76.09 -35.35 59.39 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.923 -0.485 . . . . 0.0 111.581 -169.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.91 -42.63 68.95 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 118.681 0.673 . . . . 0.0 111.442 -178.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 64.9 mtp -51.94 -29.92 22.41 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.56 1.144 . . . . 0.0 111.876 175.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 43.8 mt -91.0 -57.04 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 C-N-CA 123.585 0.754 . . . . 0.0 109.516 178.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -81.38 -39.85 24.39 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 115.024 1.49 . . . . 0.0 115.024 -167.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -86.38 -39.1 16.75 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -167.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 179.84 152.99 0.47 Allowed 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 104.535 -2.394 . . . . 0.0 104.535 -170.164 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -81.74 49.6 1.37 Allowed 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 105.807 -1.923 . . . . 0.0 105.807 167.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 23.3 mt 30.82 52.91 0.15 Allowed 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 128.838 2.855 . . . . 0.0 113.995 -168.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -98.45 -75.59 0.55 Allowed 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 169.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.405 0 N-CA-C 109.409 -1.476 . . . . 0.0 109.409 178.969 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.4 mtm . . . . . 0 CA--C 1.531 0.225 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.25 166.49 20.94 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 105.331 -2.1 . . . . 0.0 105.331 179.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.1 m -70.84 158.87 87.08 Favored Pre-proline 0 CA--C 1.539 0.524 0 CA-C-N 118.58 0.627 . . . . 0.0 110.121 -178.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -51.24 -48.07 22.91 Favored 'Trans proline' 0 N--CA 1.456 -0.694 0 C-N-CA 122.991 2.46 . . . . 0.0 112.618 -178.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 48.7 mt -65.36 -43.51 90.56 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 118.991 -0.528 . . . . 0.0 110.987 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -50.09 -56.29 11.47 Favored 'General case' 0 C--N 1.343 0.291 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 173.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -56.16 -50.34 71.45 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.525 -177.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.66 -55.92 28.67 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 122.709 0.404 . . . . 0.0 111.456 -179.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.08 -42.7 94.17 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 118.399 0.545 . . . . 0.0 109.798 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.02 -51.28 30.51 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 172.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.3 mp -56.08 -56.87 15.56 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-O 118.962 -0.542 . . . . 0.0 109.561 175.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.4 mt -52.7 -47.25 67.39 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 119.366 0.984 . . . . 0.0 112.161 -176.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.9 mt -60.95 -51.22 75.72 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 123.732 0.813 . . . . 0.0 109.996 176.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.31 -41.31 96.81 Favored Glycine 0 CA--C 1.53 1.029 0 C-N-CA 123.288 0.47 . . . . 0.0 112.088 -178.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.5 mm -78.87 -42.81 24.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 C-N-CA 126.843 2.057 . . . . 0.0 110.615 -171.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -29.15 -69.12 0.06 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.223 1.809 . . . . 0.0 113.664 -173.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -90.67 -2.09 57.85 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 125.574 1.549 . . . . 0.0 112.655 -174.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.09 -36.09 74.53 Favored 'General case' 0 N--CA 1.456 -0.142 0 O-C-N 121.516 -0.74 . . . . 0.0 111.267 -172.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -66.44 -15.96 63.74 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.0 m -74.78 -16.46 60.72 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.747 0.703 . . . . 0.0 111.53 169.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.56 -64.73 2.52 Favored Glycine 0 C--N 1.338 0.644 0 C-N-CA 126.429 1.966 . . . . 0.0 109.434 -175.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.3 tttm -83.2 51.16 1.9 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.668 1.587 . . . . 0.0 109.465 -173.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -58.06 -35.61 71.61 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 -168.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.503 ' HA2' ' OXT' ' B' ' 90' ' ' GLY . . . -30.32 -72.22 0.06 OUTLIER Glycine 0 CA--C 1.53 1.028 0 C-N-CA 126.175 1.845 . . . . 0.0 111.731 176.14 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -80.99 -43.6 19.39 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.186 0.994 . . . . 0.0 111.508 171.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm -80.44 59.13 3.38 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 121.706 0.765 . . . . 0.0 110.783 -177.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.0 p80 -79.93 57.48 2.62 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.605 1.162 . . . . 0.0 108.817 174.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -177.84 147.17 0.46 Allowed 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 128.285 2.634 . . . . 0.0 104.037 -169.252 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.65 142.67 34.93 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 119.415 1.007 . . . . 0.0 110.375 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.2 t -92.9 -168.57 1.97 Allowed 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 122.745 1.259 . . . . 0.0 111.131 -177.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -51.32 68.18 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 127.128 2.171 . . . . 0.0 112.96 -171.295 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -64.78 -41.47 95.83 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.93 -0.481 . . . . 0.0 110.208 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -56.21 -51.9 66.38 Favored 'General case' 0 C--O 1.223 -0.337 0 C-N-CA 122.85 0.46 . . . . 0.0 109.918 170.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.6 tt -57.05 -45.49 83.15 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 118.75 0.705 . . . . 0.0 110.254 -177.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -35.61 60.36 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.65 0.78 . . . . 0.0 111.286 172.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -76.27 -36.17 58.55 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.089 0.556 . . . . 0.0 111.277 176.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.7 tt -59.61 -75.81 0.05 Allowed 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 125.957 1.703 . . . . 0.0 109.094 -179.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.1 pt -52.34 -2.73 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 C-N-CA 127.523 2.329 . . . . 0.0 117.225 -167.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -94.43 -57.79 2.39 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.888 1.675 . . . . 0.0 110.159 168.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.9 mptt -81.44 32.4 0.35 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 127.503 2.321 . . . . 0.0 108.167 169.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.449 ' CG ' ' H ' ' A' ' 42' ' ' LEU . 0.4 OUTLIER -45.11 -114.21 0.0 OUTLIER 'General case' 0 N--CA 1.435 -1.18 0 N-CA-C 120.885 3.661 . . . . 0.0 120.885 -159.505 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.449 ' H ' ' CG ' ' A' ' 41' ' ' GLU . 29.5 mt -106.0 -67.74 0.91 Allowed 'General case' 0 N--CA 1.437 -1.095 0 C-N-CA 127.307 2.243 . . . . 0.0 112.555 -165.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.9 m -167.91 -24.38 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.551 1.94 . . . . 0.0 112.098 -169.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 34.4 mt -74.61 -89.08 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 -170.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.63 -68.46 0.41 Allowed Glycine 0 CA--C 1.528 0.865 0 N-CA-C 108.814 -1.715 . . . . 0.0 108.814 -169.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.5 t -155.5 140.74 17.57 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 104.755 -2.313 . . . . 0.0 104.755 167.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -149.99 -2.46 0.4 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.891 0.876 . . . . 0.0 111.829 -176.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 59.1 mt 77.46 -43.02 0.4 Allowed 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 128.739 2.816 . . . . 0.0 110.905 174.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -65.04 -21.09 66.78 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 122.822 0.449 . . . . 0.0 111.286 168.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -94.21 -158.88 0.66 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.793 1.637 . . . . 0.0 110.315 -176.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -165.95 162.65 18.26 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 125.212 1.405 . . . . 0.0 107.835 169.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -50.73 -41.47 56.35 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.1 0.96 . . . . 0.0 108.549 169.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.3 mm -50.11 -48.62 23.54 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 C-N-CA 124.429 1.092 . . . . 0.0 110.587 172.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.7 t -64.4 -47.28 90.14 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 O-C-N 121.567 -0.708 . . . . 0.0 109.114 179.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.87 -17.8 64.61 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.106 0.562 . . . . 0.0 112.142 -178.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 63.9 tp -86.38 -44.32 12.14 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.141 0.976 . . . . 0.0 110.119 170.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 51.1 mtt -65.2 -41.25 94.71 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -174.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -43.12 -53.24 5.06 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.696 0.799 . . . . 0.0 112.2 -176.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -39.3 -47.98 1.78 Allowed 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 126.946 2.098 . . . . 0.0 113.443 175.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 74.5 mt -53.46 -30.51 41.2 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 126.172 1.789 . . . . 0.0 115.201 -165.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -63.15 -11.58 21.49 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 118.384 0.538 . . . . 0.0 111.697 176.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.506 ' HG3' HH11 ' A' ' 62' ' ' ARG . 0.0 OUTLIER -58.6 21.87 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 117.115 2.265 . . . . 0.0 117.115 175.733 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -51.52 -37.26 48.49 Favored 'General case' 0 CA--C 1.522 -0.126 0 CA-C-N 120.26 1.391 . . . . 0.0 111.312 172.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.433 ' HD3' ' H ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -74.65 57.93 0.77 Allowed 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 123.798 0.839 . . . . 0.0 109.092 169.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -56.25 -32.49 64.55 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 123.899 0.88 . . . . 0.0 109.583 171.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.6 tp60 -68.77 70.09 0.18 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.979 1.312 . . . . 0.0 111.483 -178.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 65.2 91.4 0.08 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 126.361 1.865 . . . . 0.0 112.574 167.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 77.6 t -73.46 132.57 33.21 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 C-N-CA 125.035 1.334 . . . . 0.0 110.409 -173.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -101.16 175.08 5.71 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.3 1.44 . . . . 0.0 109.495 169.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -59.07 -45.32 91.12 Favored 'General case' 0 C--O 1.221 -0.413 0 C-N-CA 122.751 0.421 . . . . 0.0 112.119 -173.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -65.47 -50.18 66.29 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -177.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.64 -47.11 67.28 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.142 177.165 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -54.62 -55.61 27.65 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.361 1.064 . . . . 0.0 111.522 171.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 7.2 mm -54.73 -42.56 62.24 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.348 0 C-N-CA 124.62 1.168 . . . . 0.0 110.681 -176.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.5 m -33.24 -57.2 0.41 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.898 1.679 . . . . 0.0 113.196 -172.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -63.9 -43.0 97.31 Favored 'General case' 0 C--N 1.341 0.203 0 O-C-N 121.699 -0.626 . . . . 0.0 112.052 -178.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.504 ' H ' HD12 ' A' ' 77' ' ' LEU . 6.0 mp -57.13 -40.99 78.24 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 122.561 0.345 . . . . 0.0 110.224 172.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.32 -46.83 63.29 Favored Glycine 0 CA--C 1.526 0.751 0 C-N-CA 124.429 1.014 . . . . 0.0 111.314 175.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.06 -60.99 2.69 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 117.357 0.579 . . . . 0.0 110.269 172.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 76.6 mt -51.15 -35.1 34.1 Favored 'General case' 0 CA--C 1.528 0.101 0 C-N-CA 123.921 0.888 . . . . 0.0 112.112 -173.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -41.36 -45.15 2.98 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 126.359 1.864 . . . . 0.0 111.947 177.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 66.9 mtp -55.9 -31.99 63.34 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.291 1.437 . . . . 0.0 111.522 -178.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 32.2 mm -93.73 -64.35 1.29 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 125.623 1.569 . . . . 0.0 111.733 175.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . 0.254 0.1 OUTLIER -81.44 -37.4 28.1 Favored 'General case' 0 C--N 1.343 0.295 0 N-CA-C 115.034 1.494 . . . . 0.0 115.034 -166.738 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -82.72 -52.33 6.87 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 121.744 0.783 . . . . 0.0 110.053 -170.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -139.84 160.39 40.01 Favored 'General case' 0 N--CA 1.439 -1.024 0 CA-C-N 113.836 -1.529 . . . . 0.0 107.752 -168.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -99.91 37.32 1.65 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 105.955 -1.868 . . . . 0.0 105.955 167.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 48.3 mt 39.75 30.49 0.06 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 127.981 2.512 . . . . 0.0 112.053 -167.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 27.9 53.02 0.06 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.833 1.653 . . . . 0.0 110.985 -165.091 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.379 0 N-CA-C 108.889 -1.685 . . . . 0.0 108.889 -169.459 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.5 ttt . . . . . 0 CA--C 1.534 0.343 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 68.86 65.23 0.3 Allowed 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 125.474 1.509 . . . . 0.0 111.461 172.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 48.3 t -152.45 159.02 33.22 Favored Pre-proline 0 CA--C 1.535 0.381 0 N-CA-C 106.16 -1.793 . . . . 0.0 106.16 175.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -49.58 -50.33 13.37 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 122.704 2.27 . . . . 0.0 114.993 -170.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 11.2 mp -64.68 -56.9 10.83 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 -178.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -43.3 -52.9 5.55 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 124.281 1.032 . . . . 0.0 112.36 173.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -57.33 -52.51 65.06 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.699 0.8 . . . . 0.0 110.438 177.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.07 -49.14 76.78 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 118.356 0.525 . . . . 0.0 111.365 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 53.3 mt -59.57 -49.11 84.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 178.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -51.87 -46.9 54.68 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 124.263 0.935 . . . . 0.0 111.345 175.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 52.3 mt -63.29 -48.34 78.52 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 123.342 0.657 . . . . 0.0 110.277 177.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 75.0 mt -54.83 -48.66 72.56 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 119.43 1.014 . . . . 0.0 110.615 177.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 mm -60.87 -45.28 98.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 123.126 0.57 . . . . 0.0 110.345 177.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.04 -57.18 18.37 Favored Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -178.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -64.65 -34.11 67.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 C-N-CA 125.223 1.409 . . . . 0.0 110.073 -173.23 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -33.0 -61.89 0.27 Allowed 'General case' 0 C--N 1.342 0.271 0 C-N-CA 124.955 1.302 . . . . 0.0 113.587 178.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . 0.416 ' CG ' ' HG3' ' B' ' 23' ' ' GLU . 0.7 OUTLIER -91.99 -4.72 54.17 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.992 0.917 . . . . 0.0 113.364 -178.478 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 4.7 mmtm -64.78 -32.84 74.71 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 165.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 17.3 m-30 -73.67 102.33 3.9 Favored 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 105.327 -2.101 . . . . 0.0 105.327 165.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 66.1 m 121.76 -4.18 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 131.613 3.965 . . . . 0.0 110.857 -168.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.86 -60.24 3.79 Favored Glycine 0 CA--C 1.525 0.657 0 C-N-CA 126.009 1.766 . . . . 0.0 111.132 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -126.32 122.99 37.03 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.712 1.605 . . . . 0.0 112.63 -167.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.416 ' HG3' ' CG ' ' B' ' 17' ' ' HIS . 21.5 mp0 -50.0 178.13 0.01 OUTLIER 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 129.653 3.181 . . . . 0.0 113.661 172.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.72 -99.16 2.45 Favored Glycine 0 CA--C 1.526 0.753 0 C-N-CA 126.608 2.052 . . . . 0.0 111.163 171.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -53.18 -64.48 0.81 Allowed 'General case' 0 CA--C 1.519 -0.213 0 C-N-CA 125.364 1.465 . . . . 0.0 110.483 173.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 4.6 mmmp? -72.96 64.07 0.68 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.619 0.723 . . . . 0.0 111.372 171.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 10.4 p-80 -78.62 45.49 0.59 Allowed 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 167.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 2.4 p -156.5 164.55 38.09 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 126.358 1.863 . . . . 0.0 107.715 -167.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 26.0 mt -70.67 175.78 4.66 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 166.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 67.6 m -127.18 130.93 50.66 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 103.525 -2.768 . . . . 0.0 103.525 164.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 3.5 pttm -40.25 -48.34 2.59 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 -168.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.66 -46.5 70.62 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 121.691 -0.63 . . . . 0.0 111.187 176.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -61.25 -28.22 69.01 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.84 0.856 . . . . 0.0 110.662 -177.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.1 -31.6 65.43 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.49 -0.756 . . . . 0.0 109.716 173.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -58.73 -26.88 64.37 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.394 -0.816 . . . . 0.0 112.215 173.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.99 -51.87 8.05 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 119.355 0.979 . . . . 0.0 108.368 173.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 tt -41.91 -54.15 3.55 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.687 1.595 . . . . 0.0 111.054 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 20.1 tt -59.87 -33.4 52.45 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 C-N-CA 123.347 0.659 . . . . 0.0 112.572 -177.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -78.49 -52.95 7.77 Favored 'General case' 0 C--N 1.338 0.104 0 CA-C-N 118.536 0.607 . . . . 0.0 110.023 178.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . 0.414 ' NZ ' ' OE2' ' B' ' 41' ' ' GLU . 7.4 mtmp? -89.55 -80.08 0.31 Allowed 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.252 0.621 . . . . 0.0 111.063 -172.009 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.414 ' OE2' ' NZ ' ' B' ' 40' ' ' LYS . 18.4 mp0 -53.49 -36.76 62.04 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.92 0.888 . . . . 0.0 113.281 -168.217 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 24.5 mt -66.95 0.61 2.39 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 176.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 3.8 m 22.47 73.98 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 127.374 2.269 . . . . 0.0 115.026 167.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . 0.311 62.3 mt 89.94 -38.79 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 125.424 1.49 . . . . 0.0 112.817 177.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.91 115.43 7.83 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 -175.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 24.1 m 136.88 -44.88 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 131.114 3.766 . . . . 0.0 107.457 -170.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 28.9 mtmm 32.97 65.72 0.23 Allowed 'General case' 0 C--N 1.344 0.348 0 C-N-CA 126.011 1.725 . . . . 0.0 112.48 -177.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 2.7 mm? 67.61 -61.96 0.35 Allowed 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 126.636 1.974 . . . . 0.0 111.817 -178.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -163.24 45.65 0.13 Allowed 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.396 0.678 . . . . 0.0 111.629 -177.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -79.31 168.61 19.29 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 174.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.44 -30.03 4.68 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 126.011 1.725 . . . . 0.0 111.577 173.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -39.89 -46.84 2.08 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.862 1.265 . . . . 0.0 111.639 169.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 5.9 mt -65.74 -42.25 92.08 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 CA-C-N 118.738 0.699 . . . . 0.0 110.358 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 41.0 t -60.33 -40.99 85.57 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 O-C-N 120.975 -1.078 . . . . 0.0 109.934 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 10.9 tptp -89.78 11.67 19.42 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 174.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 48.9 tp -91.31 -40.04 11.71 Favored 'General case' 0 C--O 1.226 -0.15 0 N-CA-C 106.256 -1.757 . . . . 0.0 106.256 166.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 51.0 ttm -50.17 -31.96 14.98 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 122.95 0.5 . . . . 0.0 111.134 172.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -36.34 -38.77 0.16 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.654 1.982 . . . . 0.0 113.057 168.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -29.48 -49.15 0.09 Allowed 'General case' 0 C--N 1.344 0.363 0 C-N-CA 126.412 1.885 . . . . 0.0 112.706 169.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 93.7 mt -53.15 -13.4 0.49 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.876 2.071 . . . . 0.0 114.085 -174.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -53.08 -18.63 2.22 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.181 0.993 . . . . 0.0 110.721 165.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.94 20.73 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 128.985 2.914 . . . . 0.0 116.871 173.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -61.51 -46.76 88.64 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 119.294 -2.129 . . . . 0.0 111.331 175.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.13 169.71 17.82 Favored 'General case' 0 N--CA 1.438 -1.055 0 CA-C-O 122.358 1.075 . . . . 0.0 109.867 178.153 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 25.8 t0 49.67 34.94 7.89 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 127.85 2.46 . . . . 0.0 113.094 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 71.1 mm-40 73.77 -49.12 0.68 Allowed 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 126.161 1.784 . . . . 0.0 115.286 168.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -147.65 -175.38 4.84 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.73 1.212 . . . . 0.0 109.054 174.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 22.8 t -59.68 121.85 8.42 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 C-N-CA 123.733 0.813 . . . . 0.0 110.245 -169.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -104.96 171.58 7.24 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.815 1.246 . . . . 0.0 110.076 -176.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -60.67 -36.32 78.43 Favored 'General case' 0 C--N 1.341 0.222 0 O-C-N 121.635 -0.666 . . . . 0.0 111.009 -171.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -52.45 -64.76 0.71 Allowed 'General case' 0 C--O 1.224 -0.254 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 172.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 31.1 mp0 -51.02 -56.88 10.31 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.784 1.234 . . . . 0.0 110.654 -177.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -43.84 -56.69 3.71 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.951 1.3 . . . . 0.0 110.847 175.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 24.7 mm -63.52 -35.84 74.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 CA-C-O 119.226 -0.416 . . . . 0.0 111.215 177.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 23.8 m -59.15 -50.32 74.48 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 108.698 -0.852 . . . . 0.0 108.698 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . 0.253 7.7 p90 -66.51 -51.31 57.98 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 117.842 -1.543 . . . . 0.0 111.916 176.025 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 39.7 mt -48.62 -42.77 35.14 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 118.373 0.533 . . . . 0.0 111.586 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -49.23 -41.24 30.78 Favored Glycine 0 CA--C 1.53 0.991 0 C-N-CA 125.35 1.452 . . . . 0.0 113.203 175.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.49 -50.54 51.52 Favored 'General case' 0 C--N 1.34 0.16 0 CA-C-N 117.991 0.895 . . . . 0.0 109.109 -177.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 4.1 mp -55.61 -40.51 72.18 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 176.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.53 8.31 0.5 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.745 1.618 . . . . 0.0 114.916 176.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 64.5 mtp -90.91 -37.36 13.59 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 164.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 25.4 mm -93.07 -65.3 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 C-N-CA 124.537 1.135 . . . . 0.0 113.831 -167.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . 0.251 0.0 OUTLIER -69.71 -12.62 61.78 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 116.561 2.06 . . . . 0.0 116.561 -165.38 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -91.66 -100.14 0.11 Allowed 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.117 1.367 . . . . 0.0 113.136 -173.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.11 20.52 6.36 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 126.006 1.722 . . . . 0.0 112.117 -168.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . 47.25 29.16 1.15 Allowed 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.129 0.972 . . . . 0.0 110.907 -170.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 40.1 mt 50.14 36.88 13.21 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 126.29 1.836 . . . . 0.0 111.574 -174.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 3.7 ptmm? 46.27 41.77 9.37 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.963 1.305 . . . . 0.0 113.0 -170.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . 0.503 ' OXT' ' HA2' ' A' ' 24' ' ' GLY . . . . . . . . 0 C--O 1.27 2.395 0 C-N-CA 123.626 0.632 . . . . 0.0 111.885 178.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.4 mtm . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.609 -0.145 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.51 33.29 0.96 Allowed 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.842 0.857 . . . . 0.0 110.828 179.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.45 166.91 21.48 Favored Pre-proline 0 CA--C 1.539 0.525 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 172.023 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -50.66 -48.89 18.55 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 122.597 2.198 . . . . 0.0 112.61 178.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 57.1 mt -52.37 -64.63 0.75 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.223 1.009 . . . . 0.0 109.126 176.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -45.3 -54.86 6.55 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 127.431 2.292 . . . . 0.0 109.912 -179.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -59.21 -49.89 76.11 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.748 1.219 . . . . 0.0 110.191 -177.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.26 -53.71 44.74 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 117.786 0.266 . . . . 0.0 110.836 -177.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 83.1 mt -51.56 -56.67 4.85 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 178.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.37 -55.14 17.41 Favored Glycine 0 CA--C 1.524 0.616 0 C-N-CA 124.229 0.919 . . . . 0.0 111.491 179.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 69.4 tp -60.51 -60.05 4.42 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 117.585 0.692 . . . . 0.0 109.549 -175.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.5 mt -64.16 -46.77 82.57 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.902 -170.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.3 mt -65.78 -42.78 93.07 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.13 0 CA-C-N 118.389 0.54 . . . . 0.0 109.906 177.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.68 -56.72 10.8 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 176.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.6 mm -64.93 -46.61 91.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-O 118.661 -0.685 . . . . 0.0 111.069 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -28.88 -77.56 0.02 OUTLIER 'General case' 0 C--N 1.344 0.327 0 C-N-CA 126.506 1.923 . . . . 0.0 112.94 -168.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.434 ' CD2' ' HA ' ' A' ' 25' ' ' ASP . 0.1 OUTLIER -92.79 14.33 17.62 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 125.572 1.549 . . . . 0.0 113.017 -172.566 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.89 -31.23 27.41 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 118.881 0.764 . . . . 0.0 110.871 177.249 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -73.87 2.74 7.83 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -178.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.7 m -75.19 43.54 0.22 Allowed 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 119.452 1.023 . . . . 0.0 111.337 169.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 71.05 -68.43 0.84 Allowed Glycine 0 CA--C 1.525 0.671 0 C-N-CA 127.026 2.251 . . . . 0.0 109.554 -170.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.3 tttm -110.0 -176.88 3.11 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 105.969 -1.863 . . . . 0.0 105.969 172.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -77.28 66.94 3.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 124.308 2.004 . . . . 0.0 111.559 174.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.15 122.69 7.55 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 106.664 -2.574 . . . . 0.0 106.664 171.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.434 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 33.9 t70 -77.53 65.84 3.14 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 118.042 0.921 . . . . 0.0 111.524 -172.165 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.407 ' HZ3' ' HB3' ' A' ' 26' ' ' LYS . 6.7 mtpm? -87.82 133.31 33.91 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 173.071 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -91.63 9.33 32.73 Favored 'General case' 0 CA--C 1.53 0.201 0 O-C-N 122.375 -0.203 . . . . 0.0 111.318 -173.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.5 p -145.97 152.64 39.72 Favored 'General case' 0 C--O 1.24 0.567 0 C-N-CA 126.351 1.86 . . . . 0.0 106.551 169.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.6 mp -93.42 111.91 23.69 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 169.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 17.2 m -84.5 63.8 8.07 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 123.687 0.795 . . . . 0.0 110.492 -170.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.0 mptt 66.75 -65.48 0.21 Allowed 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 127.629 2.372 . . . . 0.0 112.014 174.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.412 ' NZ ' ' OE1' ' A' ' 33' ' ' GLU . 3.2 mtmp? -51.63 -51.72 53.46 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.687 0.795 . . . . 0.0 110.147 -177.303 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.412 ' OE1' ' NZ ' ' A' ' 32' ' ' LYS . 2.1 mp0 -50.56 -46.5 57.69 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 123.193 0.597 . . . . 0.0 111.161 176.434 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 26.3 tp -71.08 -40.15 71.76 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 120.017 -0.673 . . . . 0.0 110.098 -178.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? -50.75 -45.86 59.05 Favored 'General case' 0 C--N 1.341 0.208 0 CA-C-N 118.651 0.659 . . . . 0.0 109.584 171.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -66.33 -41.82 89.06 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 121.467 0.651 . . . . 0.0 110.71 -178.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.443 HD21 HD21 ' A' ' 42' ' ' LEU . 7.8 tt -55.62 -66.04 0.49 Allowed 'General case' 0 N--CA 1.441 -0.906 0 CA-C-O 116.945 -1.502 . . . . 0.0 110.551 176.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.57 ' HA ' ' HB3' ' A' ' 41' ' ' GLU . 22.7 pt -60.22 13.22 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.556 1.18 0 C-N-CA 126.609 1.964 . . . . 0.0 115.497 -168.141 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -91.94 -71.53 0.64 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.919 1.688 . . . . 0.0 110.074 170.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.9 ptmm? -92.4 30.83 1.41 Allowed 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 128.378 2.671 . . . . 0.0 109.03 -177.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.57 ' HB3' ' HA ' ' A' ' 38' ' ' ILE . 0.1 OUTLIER -75.39 -111.97 0.01 OUTLIER 'General case' 0 N--CA 1.432 -1.33 1 N-CA-C 123.744 4.72 . . . . 0.0 123.744 -156.586 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.509 ' H ' ' CG ' ' A' ' 41' ' ' GLU . 28.2 mt -99.67 -60.44 1.53 Allowed 'General case' 0 N--CA 1.438 -1.038 0 C-N-CA 128.805 2.842 . . . . 0.0 113.347 -164.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 35.6 p -56.36 -89.09 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.439 0 O-C-N 124.721 1.263 . . . . 0.0 113.793 -166.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -121.36 -46.34 2.5 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.813 -167.268 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 150.31 -142.77 9.95 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 106.66 -2.576 . . . . 0.0 106.66 -172.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 m -74.1 53.48 0.49 Allowed 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.602 1.161 . . . . 0.0 112.259 179.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.85 41.14 3.6 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 127.248 2.219 . . . . 0.0 113.762 -178.301 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 41.7 mt -45.47 -48.54 13.91 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.203 1.001 . . . . 0.0 112.469 -168.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.24 -72.98 0.66 Allowed 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 169.234 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -92.92 -145.36 0.22 Allowed 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.493 1.117 . . . . 0.0 108.988 -177.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 114.79 -56.26 0.0 OUTLIER 'General case' 0 C--O 1.224 -0.283 1 C-N-CA 132.138 4.175 . . . . 0.0 105.318 -169.336 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.5 pm0 -50.92 -45.62 60.48 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 125.893 1.677 . . . . 0.0 113.548 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 26.8 mm -82.18 -47.08 19.4 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.104 0 CA-C-N 119.529 1.059 . . . . 0.0 108.169 -176.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 56.5 t -54.22 -34.57 27.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 O-C-N 121.985 -0.447 . . . . 0.0 111.073 176.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 36.8 mmtt -57.58 -29.6 64.58 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.532 0.733 . . . . 0.0 112.945 175.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.5 tt -54.23 -30.56 50.61 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-O 118.879 -0.581 . . . . 0.0 110.365 172.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -90.32 -62.46 1.46 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.542 0.737 . . . . 0.0 110.226 169.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -48.96 -46.84 44.02 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.038 0.935 . . . . 0.0 112.807 -168.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.32 17.83 2.43 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -173.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 80.3 mt -90.58 -65.67 0.99 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 119.399 1.0 . . . . 0.0 110.909 173.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.15 -30.75 0.1 Allowed 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 128.254 2.622 . . . . 0.0 111.252 174.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 62' ' ' ARG . 0.7 OUTLIER -53.19 26.11 0.0 OUTLIER 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 129.977 3.311 . . . . 0.0 115.332 167.858 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.46 ' ND2' ' H ' ' A' ' 65' ' ' ASP . 9.7 t30 -32.77 -64.04 0.2 Allowed 'General case' 0 C--O 1.236 0.369 0 C-N-CA 126.998 2.119 . . . . 0.0 110.774 168.062 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.33 30.59 0.32 Allowed 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.981 1.312 . . . . 0.0 111.253 -177.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.46 ' H ' ' ND2' ' A' ' 63' ' ' ASN . 0.7 OUTLIER -23.43 -65.94 0.04 OUTLIER 'General case' 0 C--N 1.344 0.342 0 C-N-CA 128.601 2.761 . . . . 0.0 109.616 -167.279 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -99.88 -44.34 6.09 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 110.918 -2.855 . . . . 0.0 111.782 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -159.94 165.36 32.24 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.686 1.195 . . . . 0.0 109.321 170.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.6 t -79.69 119.12 28.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 C-N-CA 124.546 1.138 . . . . 0.0 109.219 -173.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -103.6 152.1 22.15 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.511 1.124 . . . . 0.0 111.131 176.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -44.83 -50.88 10.02 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 125.943 1.697 . . . . 0.0 111.178 171.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -54.86 -38.1 67.06 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 122.675 0.39 . . . . 0.0 111.374 -176.049 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -69.13 -62.33 1.42 Allowed 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 177.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -38.33 -52.82 1.52 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 126.541 1.937 . . . . 0.0 112.219 178.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 11.4 tp -66.44 -30.78 50.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 O-C-N 121.76 -0.587 . . . . 0.0 111.837 -174.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 31.2 m -59.65 -53.43 58.13 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 121.628 0.727 . . . . 0.0 110.547 -172.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -73.27 -41.91 63.09 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.233 -172.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.4 mt -46.1 -54.15 9.06 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 168.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.82 -57.96 10.08 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 124.539 1.066 . . . . 0.0 112.266 177.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.62 -58.17 7.1 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 117.015 0.408 . . . . 0.0 110.955 178.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 41.9 mt -63.41 -32.56 74.03 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -173.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -49.34 -41.05 37.58 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.66 0.664 . . . . 0.0 111.787 175.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 89.5 mtp -55.23 -36.07 65.61 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 122.605 0.362 . . . . 0.0 111.355 177.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 43.2 mt -84.41 -56.08 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 C-N-CA 123.826 0.851 . . . . 0.0 109.169 -175.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -90.07 -21.31 22.37 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 115.35 1.611 . . . . 0.0 115.35 -168.275 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -72.13 -68.38 0.47 Allowed 'General case' 0 C--N 1.342 0.28 0 CA-C-N 120.37 1.441 . . . . 0.0 111.884 -168.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -165.89 -166.59 0.95 Allowed 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 126.964 2.106 . . . . 0.0 106.332 -179.513 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -80.26 46.18 0.81 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 119.844 1.202 . . . . 0.0 107.942 174.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.9 mt 50.49 46.71 25.09 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 125.255 1.422 . . . . 0.0 108.981 -166.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 1.111 ' O ' ' OXT' ' A' ' 90' ' ' GLY . 0.2 OUTLIER 61.22 73.73 0.47 Allowed 'General case' 0 C--N 1.344 0.35 0 O-C-N 123.975 0.797 . . . . 0.0 111.469 176.407 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 1.111 ' OXT' ' O ' ' A' ' 89' ' ' LYS . . . . . . . . 0 C--O 1.27 2.399 0 C-N-CA 127.613 2.53 . . . . 0.0 115.137 170.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 47.0 ttp . . . . . 0 N--CA 1.449 -0.481 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.24 153.77 36.77 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 105.816 -1.92 . . . . 0.0 105.816 176.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 89.1 p -70.4 159.44 84.78 Favored Pre-proline 0 CA--C 1.535 0.403 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 169.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -54.9 -40.9 83.21 Favored 'Trans proline' 0 N--CA 1.455 -0.766 0 C-N-CA 121.547 1.498 . . . . 0.0 110.646 172.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 84.2 mt -61.04 -57.41 12.7 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 122.88 0.472 . . . . 0.0 110.631 176.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -55.46 -42.51 74.39 Favored 'General case' 0 C--O 1.221 -0.406 0 C-N-CA 122.535 0.334 . . . . 0.0 110.306 -178.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -65.29 -49.11 70.75 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.411 0.551 . . . . 0.0 111.549 177.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.93 -55.29 20.1 Favored 'General case' 0 C--O 1.232 0.137 0 O-C-N 121.976 -0.453 . . . . 0.0 110.408 -173.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 48.6 mt -61.02 -37.36 77.14 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 173.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -42.3 -36.96 2.27 Favored Glycine 0 C--N 1.335 0.518 0 C-N-CA 127.309 2.385 . . . . 0.0 113.967 170.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -57.57 -50.48 72.97 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.293 1.547 . . . . 0.0 109.264 175.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 39.1 mt -70.19 -50.11 43.46 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.559 1.144 . . . . 0.0 109.949 -177.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 84.5 mt -58.43 -30.56 41.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 C-N-CA 123.99 0.916 . . . . 0.0 110.532 175.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.01 -61.75 3.87 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 109.857 -1.297 . . . . 0.0 109.857 176.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 55.0 mt -49.18 -40.45 13.5 Favored 'Isoleucine or valine' 0 C--N 1.34 0.195 0 C-N-CA 123.739 0.816 . . . . 0.0 110.65 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -32.85 -71.17 0.06 Allowed 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 125.609 1.563 . . . . 0.0 113.972 -177.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 3.8 p80 -92.96 13.49 20.48 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 123.133 0.573 . . . . 0.0 112.343 -178.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -53.43 -41.67 66.3 Favored 'General case' 0 CA--C 1.527 0.084 0 CA-C-N 119.153 0.888 . . . . 0.0 110.191 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . 0.423 ' CE2' ' HB3' ' B' ' 36' ' ' GLU . 49.0 m-85 -70.44 -9.31 56.11 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -179.525 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 9.5 m -78.26 -11.79 59.96 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 118.692 0.678 . . . . 0.0 110.718 168.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -76.83 52.68 3.26 Favored Glycine 0 CA--C 1.529 0.962 0 C-N-CA 124.982 1.277 . . . . 0.0 111.857 -175.045 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 mtmm -138.27 -53.46 0.62 Allowed 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 127.532 2.333 . . . . 0.0 106.008 172.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 33.9 mp0 -67.35 -50.47 59.74 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 127.478 2.311 . . . . 0.0 110.118 171.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 145.95 150.38 5.19 Favored Glycine 0 CA--C 1.528 0.849 0 N-CA-C 107.267 -2.333 . . . . 0.0 107.267 -170.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -71.0 68.74 0.45 Allowed 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 118.865 1.332 . . . . 0.0 113.372 -168.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -72.63 113.58 9.82 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 128.34 2.656 . . . . 0.0 107.804 175.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 33.2 m170 -77.75 42.01 0.36 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.3 0.64 . . . . 0.0 112.471 -175.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 57.3 p -155.28 132.85 11.19 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 126.654 1.982 . . . . 0.0 107.057 170.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 16.3 mt -98.51 152.01 20.01 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 123.088 0.555 . . . . 0.0 109.885 175.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 15.3 m -107.96 -67.35 0.97 Allowed 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 -170.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.44 -64.07 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 125.76 1.624 . . . . 0.0 109.813 -174.127 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -55.82 -34.85 65.75 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-O 121.057 0.456 . . . . 0.0 111.568 -175.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 0.478 ' CD ' ' H ' ' B' ' 33' ' ' GLU . 20.3 mp0 -68.61 -47.38 66.84 Favored 'General case' 0 N--CA 1.443 -0.776 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 178.312 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 23.9 mt -59.9 -46.99 87.59 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.846 -179.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -46.6 -44.51 18.26 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 118.83 0.741 . . . . 0.0 111.414 -179.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.423 ' HB3' ' CE2' ' B' ' 19' ' ' TYR . 62.4 mm-40 -74.21 -43.56 56.69 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 178.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 tt -67.77 -56.9 7.44 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 124.043 0.937 . . . . 0.0 111.443 -175.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 6.1 pt -61.22 -58.27 8.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 C-N-CA 123.393 0.677 . . . . 0.0 111.877 -167.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -49.2 -56.75 8.3 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.523 0.729 . . . . 0.0 110.412 176.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -73.64 -62.21 1.57 Allowed 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -168.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -92.48 -31.08 15.39 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -168.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 17.5 mt -82.61 -56.3 3.94 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-N 119.388 0.995 . . . . 0.0 111.793 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 16.8 p -65.63 154.81 37.76 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 119.61 1.095 . . . . 0.0 111.678 -173.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -42.19 -59.13 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 125.058 1.343 . . . . 0.0 113.826 -177.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.27 -73.95 0.29 Allowed Glycine 0 CA--C 1.532 1.099 0 N-CA-C 110.496 -1.042 . . . . 0.0 110.496 -168.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 40.7 m -76.61 61.35 1.78 Allowed 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.1 1.36 . . . . 0.0 112.177 -172.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 23.6 ttmt -172.58 -46.39 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 125.711 1.604 . . . . 0.0 108.657 172.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 49.6 mt 58.2 -153.04 0.39 Allowed 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 -165.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 74.17 -62.04 0.47 Allowed 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 126.907 2.083 . . . . 0.0 109.724 -178.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -78.01 66.17 3.58 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.831 1.252 . . . . 0.0 107.901 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -96.87 -82.34 0.41 Allowed 'General case' 0 C--O 1.233 0.226 0 C-N-CA 123.559 0.744 . . . . 0.0 111.029 -173.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 54.7 mp0 -58.61 -44.32 89.89 Favored 'General case' 0 N--CA 1.457 -0.092 0 C-N-CA 123.781 0.832 . . . . 0.0 109.675 -172.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 7.7 tp -53.2 -33.87 21.07 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 C-N-CA 124.215 1.006 . . . . 0.0 111.967 175.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 82.5 t -82.14 -48.62 18.19 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.135 0 CA-C-N 118.447 0.567 . . . . 0.0 109.639 176.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -51.77 -40.95 61.22 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 118.583 0.629 . . . . 0.0 111.158 178.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 59.0 tp -46.12 -38.43 8.12 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.767 0.827 . . . . 0.0 112.236 172.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 14.1 mmt -90.01 -52.08 5.14 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.786 0.834 . . . . 0.0 110.078 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -60.9 -36.79 80.17 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 125.07 1.348 . . . . 0.0 112.118 -173.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -72.43 -1.28 15.1 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 119.748 -1.845 . . . . 0.0 113.035 175.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 77.8 mt -64.78 -3.55 3.44 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.109 -0.994 . . . . 0.0 110.948 168.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -46.28 -34.73 4.69 Favored 'General case' 0 C--N 1.346 0.453 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 163.483 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . 0.288 73.0 mtm-85 -77.62 22.97 0.24 Allowed 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 178.355 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -49.48 -44.43 45.94 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.291 0.95 . . . . 0.0 109.01 166.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . 0.343 0.0 OUTLIER 61.77 -15.23 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 118.161 2.652 . . . . 0.0 118.161 169.045 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -67.59 -24.74 65.53 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 120.213 1.37 . . . . 0.0 111.487 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.79 166.26 24.88 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 126.295 1.838 . . . . 0.0 108.691 -177.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -72.82 142.19 48.01 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 168.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 77.6 t -69.29 104.93 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 N-CA-C 106.384 -1.71 . . . . 0.0 106.384 173.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -99.88 -173.03 2.34 Favored 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 106.6 -1.63 . . . . 0.0 106.6 175.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.412 ' O ' HG22 ' B' ' 74' ' ' ILE . 32.6 t80 -61.01 -36.02 78.4 Favored 'General case' 0 C--O 1.222 -0.35 0 C-N-CA 119.36 -0.936 . . . . 0.0 110.316 -173.206 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.45 -61.24 2.44 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 118.126 0.421 . . . . 0.0 110.141 -176.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 27.4 mp0 -63.93 -51.25 65.28 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -178.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -44.69 -53.93 6.75 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.613 0.765 . . . . 0.0 112.061 -178.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . 0.412 HG22 ' O ' ' B' ' 70' ' ' PHE . 10.5 tp -77.68 -41.5 28.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 122.784 0.434 . . . . 0.0 110.923 -172.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 54.4 m -59.62 -46.41 89.07 Favored 'General case' 0 C--N 1.339 0.129 0 CA-C-O 121.597 0.713 . . . . 0.0 109.297 177.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -52.47 -62.17 1.82 Allowed 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 126.382 1.873 . . . . 0.0 109.408 171.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -42.47 -46.6 4.84 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-N 118.968 0.804 . . . . 0.0 111.336 173.64 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.16 -59.67 10.38 Favored Glycine 0 CA--C 1.526 0.768 0 C-N-CA 124.104 0.859 . . . . 0.0 111.517 178.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.75 -50.05 74.52 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 117.967 0.883 . . . . 0.0 110.115 -177.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 9.8 mp -49.75 -53.38 25.25 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 124.477 1.111 . . . . 0.0 109.761 174.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.49 -54.19 46.62 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.582 0.753 . . . . 0.0 110.799 -176.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . 0.401 ' HG3' HD12 ' B' ' 88' ' ' LEU . 39.1 ttp -44.07 -54.68 5.3 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.086 1.354 . . . . 0.0 108.933 176.409 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 30.3 mm -65.58 -71.25 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 122.69 0.396 . . . . 0.0 111.082 178.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -61.28 -22.77 65.15 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 -167.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -64.45 -75.3 0.09 Allowed 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 177.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.597 ' HG3' ' H ' ' B' ' 89' ' ' LYS . 5.1 pt-20 -160.51 43.2 0.19 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.666 -178.19 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . 46.76 37.62 4.93 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 -169.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.401 HD12 ' HG3' ' B' ' 82' ' ' MET . 0.5 OUTLIER 41.68 59.09 2.58 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 126.578 1.951 . . . . 0.0 111.626 -169.812 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . 0.597 ' H ' ' HG3' ' B' ' 86' ' ' GLU . 29.2 mmtm 63.04 39.41 10.12 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 125.771 1.629 . . . . 0.0 108.39 178.04 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.269 2.334 0 N-CA-C 109.394 -1.482 . . . . 0.0 109.394 -168.956 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.391 0 N-CA-C 112.2 0.445 . . . . 0.0 112.2 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.29 -93.56 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.208 1.003 . . . . 0.0 112.389 -174.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -68.78 163.88 51.33 Favored Pre-proline 0 CA--C 1.535 0.37 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -178.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -47.28 -45.78 21.36 Favored 'Trans proline' 0 CA--C 1.534 0.477 0 C-N-CA 122.385 2.057 . . . . 0.0 111.586 170.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -48.29 -59.62 3.29 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.522 0.729 . . . . 0.0 109.624 171.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -61.83 -28.83 69.75 Favored 'General case' 0 C--O 1.225 -0.204 0 C-N-CA 124.052 0.941 . . . . 0.0 111.588 -176.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -70.19 -53.14 18.37 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 119.09 0.859 . . . . 0.0 110.005 176.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.99 -52.02 67.17 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 121.163 0.506 . . . . 0.0 110.334 177.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 24.9 mm -53.84 -44.78 61.44 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.409 0 C-N-CA 123.504 0.722 . . . . 0.0 109.434 173.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -51.29 -54.16 24.82 Favored Glycine 0 CA--C 1.525 0.695 0 C-N-CA 124.909 1.243 . . . . 0.0 111.562 175.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -54.28 -53.45 53.61 Favored 'General case' 0 CA--C 1.528 0.128 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 175.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.0 mt -56.55 -39.05 72.75 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 119.227 -0.416 . . . . 0.0 111.858 -178.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.5 mt -64.83 -48.16 85.5 Favored 'Isoleucine or valine' 0 C--O 1.23 0.076 0 C-N-CA 124.931 1.292 . . . . 0.0 109.223 176.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.0 -53.03 35.89 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.273 -1.131 . . . . 0.0 110.273 177.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.5 mm -57.6 -67.14 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 123.33 0.652 . . . . 0.0 109.448 176.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -29.9 -70.23 0.06 Allowed 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 126.471 1.908 . . . . 0.0 111.71 172.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . 0.283 1.1 m-70 -79.44 6.3 10.57 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 115.443 1.646 . . . . 0.0 115.443 -173.424 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.85 -22.59 65.12 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.825 1.193 . . . . 0.0 108.515 166.423 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -117.75 47.61 1.52 Allowed 'General case' 0 C--O 1.225 -0.202 0 C-N-CA 124.003 0.921 . . . . 0.0 109.424 -175.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.7 m -77.98 47.11 0.62 Allowed 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -178.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 74.88 102.32 0.1 OUTLIER Glycine 0 C--N 1.335 0.51 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 168.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -75.4 46.83 0.36 Allowed 'General case' 0 CA--C 1.541 0.622 0 O-C-N 121.266 -1.137 . . . . 0.0 110.822 172.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -172.83 -135.3 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 127.156 2.182 . . . . 0.0 109.222 178.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.24 -33.02 37.0 Favored Glycine 0 CA--C 1.524 0.655 0 C-N-CA 126.987 2.232 . . . . 0.0 111.89 -171.156 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -55.77 114.22 1.8 Allowed 'General case' 0 C--O 1.223 -0.313 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 169.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.36 40.52 3.72 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 107.324 -1.361 . . . . 0.0 107.324 170.521 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -148.21 -34.57 0.22 Allowed 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 -170.101 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 61.8 p -132.12 -153.03 0.53 Allowed 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -177.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.0 mp -117.16 86.21 2.47 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 173.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.2 t -50.64 78.91 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 126.3 1.84 . . . . 0.0 113.288 172.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.292 32.2 mttp 16.53 -55.99 0.0 OUTLIER 'General case' 0 C--N 1.341 0.225 1 C-N-CA 133.97 4.908 . . . . 0.0 118.967 -175.965 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.74 -32.71 44.62 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 120.134 1.333 . . . . 0.0 110.337 169.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -49.93 -56.24 11.33 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 122.028 0.918 . . . . 0.0 110.899 167.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.08 -25.68 63.64 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.307 -176.153 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.1 mmpt? -65.33 -42.85 92.5 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 120.81 -1.181 . . . . 0.0 110.865 172.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -56.55 -33.63 66.31 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 121.959 0.885 . . . . 0.0 110.959 172.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.4 tt -72.96 -75.09 0.15 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.894 1.278 . . . . 0.0 111.209 178.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 13.7 tt -43.98 -49.21 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 C-N-CA 126.196 1.799 . . . . 0.0 113.829 -168.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -59.59 -30.38 68.62 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.159 0.583 . . . . 0.0 111.26 -173.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -92.35 -91.61 0.16 Allowed 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 125.196 1.398 . . . . 0.0 113.785 -167.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.0 pm0 -84.91 -45.62 12.06 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 117.819 2.525 . . . . 0.0 117.819 -164.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.31 20.01 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 118.46 2.763 . . . . 0.0 118.46 -164.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.0 t -125.22 -166.22 1.51 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.868 1.267 . . . . 0.0 108.29 173.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.3 mt -81.53 69.48 0.56 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.147 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 -178.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 67.28 165.24 2.47 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 126.117 1.817 . . . . 0.0 110.221 -172.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.22 28.51 0.08 Allowed 'General case' 0 CA--C 1.538 0.509 0 O-C-N 120.872 -1.37 . . . . 0.0 113.094 -177.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 172.31 -43.95 0.01 OUTLIER 'General case' 0 C--N 1.34 0.191 0 C-N-CA 126.836 2.055 . . . . 0.0 111.623 178.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.9 tt -33.34 -57.76 0.41 Allowed 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.883 1.673 . . . . 0.0 111.996 -168.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -138.0 54.17 1.8 Allowed 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 167.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -117.58 147.35 42.91 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 125.426 1.49 . . . . 0.0 108.553 177.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -136.61 148.29 47.39 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 123.974 0.91 . . . . 0.0 109.744 176.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -63.96 -31.61 72.86 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 -174.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 50.0 pt -56.0 -35.46 41.18 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.792 0 CA-C-O 118.717 -0.659 . . . . 0.0 111.456 169.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.1 t -65.85 -52.44 49.59 Favored 'Isoleucine or valine' 0 C--N 1.343 0.295 0 CA-C-N 119.488 1.04 . . . . 0.0 108.35 175.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -52.66 -46.2 67.06 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 122.091 0.156 . . . . 0.0 111.034 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.5 mt -59.45 -30.46 68.52 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 123.16 0.584 . . . . 0.0 112.299 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 26.1 mmt -78.08 -57.15 3.95 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 118.979 0.809 . . . . 0.0 109.192 172.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -66.6 -15.34 63.37 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 126.033 1.733 . . . . 0.0 113.739 -169.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -59.26 -5.7 0.79 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.944 0.897 . . . . 0.0 110.4 165.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 mt -26.9 -33.33 0.0 OUTLIER 'General case' 0 C--N 1.344 0.36 1 C-N-CA 132.305 4.242 . . . . 0.0 115.73 169.532 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -42.23 -31.29 0.37 Allowed 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.242 0.928 . . . . 0.0 111.27 167.44 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -36.41 -52.12 0.83 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 127.953 2.501 . . . . 0.0 112.144 169.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -29.92 -88.65 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 129.478 3.111 . . . . 0.0 116.69 -169.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.82 128.35 35.34 Favored 'General case' 0 N--CA 1.44 -0.953 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 -167.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 41.2 t0 6.85 79.34 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 129.285 3.034 . . . . 0.0 114.073 169.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 53.11 -59.76 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 129.13 2.972 . . . . 0.0 118.356 164.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.47 157.1 1.58 Allowed 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 124.478 1.111 . . . . 0.0 111.415 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.5 p -162.82 85.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-O 123.015 1.388 . . . . 0.0 110.819 178.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -83.09 173.05 12.07 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 126.16 1.784 . . . . 0.0 109.194 171.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -47.84 -52.34 19.46 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.345 1.058 . . . . 0.0 111.425 -174.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -47.67 -47.34 29.6 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.081 0.552 . . . . 0.0 111.449 177.276 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -71.31 -53.88 12.72 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 -176.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -44.01 -45.2 7.77 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.174 1.389 . . . . 0.0 111.498 175.114 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 23.0 mm -60.8 -30.15 46.65 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 CA-C-O 117.94 -1.028 . . . . 0.0 112.629 -177.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 76.1 p -55.41 -54.31 45.28 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 121.043 1.747 . . . . 0.0 111.591 -170.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 14.6 p90 -64.32 -43.44 94.67 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.236 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 20.2 mt -52.91 -49.79 65.25 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.419 0.554 . . . . 0.0 110.018 172.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -52.89 -50.06 52.11 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 124.166 0.889 . . . . 0.0 112.684 174.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.33 -56.65 19.14 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 117.7 0.75 . . . . 0.0 110.296 176.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.4 tp -54.31 -40.31 67.82 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.249 1.419 . . . . 0.0 111.069 -177.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -46.76 -49.52 19.57 Favored 'General case' 0 C--N 1.339 0.144 0 C-N-CA 124.231 1.012 . . . . 0.0 111.553 175.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 74.7 mtm -67.38 -13.65 62.21 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 118.94 -0.553 . . . . 0.0 112.37 -178.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 45.0 mt -91.06 -71.36 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 171.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . 0.254 0.0 OUTLIER -77.17 -31.37 55.42 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -168.425 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.34 23.18 4.63 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.226 1.011 . . . . 0.0 112.155 -176.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -41.57 140.07 1.01 Allowed 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 122.809 1.29 . . . . 0.0 113.62 -169.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 148.69 -32.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 1 C-N-CA 132.621 4.368 . . . . 0.0 106.548 -168.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.468 ' H ' HD12 ' A' ' 88' ' ' LEU . 6.5 mp -58.3 -39.65 79.88 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 125.594 1.557 . . . . 0.0 111.139 178.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.821 ' O ' ' OXT' ' A' ' 90' ' ' GLY . 21.4 mtmm -103.89 -43.86 5.19 Favored 'General case' 0 N--CA 1.458 -0.062 0 C-N-CA 123.22 0.608 . . . . 0.0 109.429 176.266 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.821 ' OXT' ' O ' ' A' ' 89' ' ' LYS . . . . . . . . 0 C--O 1.271 2.433 0 C-N-CA 124.7 1.143 . . . . 0.0 111.177 179.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.3 tpt . . . . . 0 N--CA 1.449 -0.478 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.95 61.0 1.25 Allowed 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.906 0.882 . . . . 0.0 109.479 179.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.23 166.48 20.33 Favored Pre-proline 0 CA--C 1.54 0.566 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 172.372 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -50.77 -48.07 22.36 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 122.794 2.329 . . . . 0.0 112.94 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 63.5 mt -61.54 -54.86 37.64 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 122.796 0.439 . . . . 0.0 110.105 -179.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -45.93 -54.99 7.34 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 126.05 1.74 . . . . 0.0 109.29 175.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 13.5 tp60 -58.56 -42.01 86.94 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 124.028 0.931 . . . . 0.0 110.613 178.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.03 -44.05 97.0 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.834 0.743 . . . . 0.0 111.419 178.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 39.7 mm -57.88 -48.41 83.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 171.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.35 -46.52 22.24 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.301 -0.72 . . . . 0.0 111.301 170.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.43 -46.27 89.31 Favored 'General case' 0 C--O 1.224 -0.266 0 C-N-CA 124.534 1.134 . . . . 0.0 110.027 -179.235 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 47.3 mt -56.46 -44.27 80.35 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 119.298 0.954 . . . . 0.0 111.448 173.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 48.4 mt -64.43 -36.47 77.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 176.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.01 -56.59 24.32 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.541 -1.024 . . . . 0.0 110.541 172.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 95.3 mt -55.28 -39.79 53.47 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.183 0 CA-C-O 118.208 -0.901 . . . . 0.0 109.549 178.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -56.31 -77.96 0.03 OUTLIER 'General case' 0 C--N 1.341 0.224 0 CA-C-N 118.878 0.763 . . . . 0.0 109.176 168.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . 0.442 0.3 OUTLIER -73.28 2.43 7.46 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 118.485 2.772 . . . . 0.0 118.485 -168.667 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -60.68 -38.86 86.35 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 163.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . 0.434 ' HB3' ' HB3' ' B' ' 33' ' ' GLU . 67.3 m-85 -82.05 143.53 31.47 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 169.483 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 14.7 m 91.87 36.92 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 127.006 2.122 . . . . 0.0 106.128 -164.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.5 -19.79 77.97 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 121.935 -0.478 . . . . 0.0 113.167 -168.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.12 -167.12 1.56 Allowed 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 106.415 -1.698 . . . . 0.0 106.415 -175.215 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 80.12 141.51 0.07 Allowed 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 127.079 2.152 . . . . 0.0 110.247 -177.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.87 163.39 33.33 Favored Glycine 0 CA--C 1.529 0.916 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 172.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.8 t70 68.62 -27.76 0.15 Allowed 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 115.208 1.558 . . . . 0.0 115.208 176.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . 0.309 0.0 OUTLIER -55.42 67.21 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 120.069 3.359 . . . . 0.0 120.069 -164.388 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -70.08 -24.45 63.23 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 127.215 2.206 . . . . 0.0 110.908 167.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.42 162.63 16.87 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 128.03 2.532 . . . . 0.0 108.694 -169.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 10.9 mt -71.89 114.66 10.23 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 107.154 -1.425 . . . . 0.0 107.154 168.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.22 154.89 36.79 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 170.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -41.13 -57.34 2.09 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.214 1.005 . . . . 0.0 112.285 176.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.32 -29.98 66.33 Favored 'General case' 0 C--N 1.342 0.243 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 -178.35 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 0.434 ' HB3' ' HB3' ' B' ' 19' ' ' TYR . 5.8 mm-40 -69.68 -47.03 64.69 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 179.427 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 tt -62.18 -45.33 93.87 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 120.085 -0.646 . . . . 0.0 110.892 179.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 55.7 mmtt -52.88 -45.35 67.43 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 118.917 0.78 . . . . 0.0 110.007 176.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -71.44 -27.31 63.18 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -177.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 tt -66.9 -65.49 0.67 Allowed 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 125.897 1.679 . . . . 0.0 109.724 173.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 24.0 pt -54.92 -37.31 41.07 Favored 'Isoleucine or valine' 0 C--N 1.338 0.103 0 C-N-CA 122.969 0.508 . . . . 0.0 112.22 -168.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -66.11 -36.36 82.96 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 118.554 -0.736 . . . . 0.0 112.376 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm -93.32 -74.42 0.53 Allowed 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 115.897 1.814 . . . . 0.0 115.897 -168.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -90.72 -43.54 10.05 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 115.743 1.757 . . . . 0.0 115.743 -164.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -27.79 -70.18 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 118.088 2.625 . . . . 0.0 118.088 -165.429 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.4 154.24 18.66 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.598 1.159 . . . . 0.0 110.895 -168.021 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 31.2 pt 25.37 62.37 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 127.028 2.131 . . . . 0.0 114.57 172.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 51.39 39.97 45.11 Favored Glycine 0 CA--C 1.533 1.16 0 C-N-CA 124.386 0.993 . . . . 0.0 113.848 176.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 3.3 m 98.74 56.15 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 127.73 2.412 . . . . 0.0 111.811 176.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 35.12 62.13 0.58 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 127.475 2.31 . . . . 0.0 114.919 169.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 7.3 mp -69.85 77.4 0.46 Allowed 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 169.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 65.04 50.24 1.91 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.493 1.517 . . . . 0.0 110.814 -177.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.46 ' CG ' ' HZ3' ' B' ' 55' ' ' LYS . 25.2 t0 -70.72 166.79 20.11 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.733 0.813 . . . . 0.0 109.998 170.466 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.13 80.38 1.26 Allowed 'General case' 0 N--CA 1.442 -0.853 0 N-CA-C 106.732 -1.581 . . . . 0.0 106.732 168.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -43.88 -45.24 7.45 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 125.384 1.474 . . . . 0.0 109.463 171.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 32.7 pt -55.89 -36.77 45.11 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 C-N-CA 124.19 0.996 . . . . 0.0 111.824 -179.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 82.7 t -71.34 -32.42 46.84 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.202 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 177.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.46 ' HZ3' ' CG ' ' B' ' 50' ' ' ASP . 0.0 OUTLIER -65.16 -46.64 80.0 Favored 'General case' 0 C--O 1.226 -0.169 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 174.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 92.8 mt -57.08 -46.97 82.11 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 122.286 0.234 . . . . 0.0 110.927 177.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 16.4 tmm? -57.78 -49.68 75.78 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.659 -0.651 . . . . 0.0 110.149 175.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.507 ' C ' ' H ' ' B' ' 60' ' ' LEU 0.404 0.5 OUTLIER -90.38 27.77 1.61 Allowed 'General case' 0 CA--C 1.507 -0.688 0 N-CA-C 117.79 2.515 . . . . 0.0 117.79 -175.047 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -58.8 34.75 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 130.167 3.387 . . . . 0.0 110.553 161.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.507 ' H ' ' C ' ' B' ' 58' ' ' ASP . 7.2 tt -32.2 -23.62 0.0 OUTLIER 'General case' 0 C--N 1.347 0.462 1 C-N-CA 134.644 5.177 . . . . 0.0 114.947 -172.735 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -42.2 -31.32 0.37 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.714 1.605 . . . . 0.0 110.49 164.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . 0.403 ' NH1' ' HA ' ' B' ' 58' ' ' ASP . 17.1 ptt180 -41.75 -34.38 0.62 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.562 1.945 . . . . 0.0 113.959 171.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -90.89 -101.59 0.1 Allowed 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 117.496 2.406 . . . . 0.0 117.496 -166.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.79 126.81 31.44 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 -163.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . 0.316 0.2 OUTLIER 67.56 -44.61 0.48 Allowed 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 130.602 3.561 . . . . 0.0 112.376 178.49 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 125.0 -16.47 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.439 1 C-N-CA 132.585 4.354 . . . . 0.0 112.03 169.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -103.06 173.71 6.19 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 166.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 2.8 t -124.19 145.73 30.85 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.171 0 C-N-CA 123.416 0.686 . . . . 0.0 109.354 -177.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -109.73 -154.8 0.54 Allowed 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 125.426 1.49 . . . . 0.0 108.323 175.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.433 ' CG ' HD23 ' A' ' 88' ' ' LEU . 60.8 t80 -76.69 -39.47 51.96 Favored 'General case' 0 C--O 1.223 -0.333 0 O-C-N 121.152 -0.967 . . . . 0.0 110.506 177.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -55.09 -56.97 13.9 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 118.382 0.537 . . . . 0.0 111.803 -172.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -61.34 -51.92 66.82 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -177.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -42.39 -62.94 0.85 Allowed 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.928 1.291 . . . . 0.0 110.77 175.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 10.9 tp -70.51 -36.1 64.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 O-C-N 121.481 -0.762 . . . . 0.0 111.071 -172.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 88.5 m -56.85 -45.76 82.2 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 119.052 0.842 . . . . 0.0 109.524 173.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -64.81 -57.14 9.67 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 126.253 1.821 . . . . 0.0 111.119 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 6.6 mp -47.15 -47.2 23.72 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 118.604 0.638 . . . . 0.0 110.188 169.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.55 -53.61 34.64 Favored Glycine 0 CA--C 1.524 0.627 0 C-N-CA 125.217 1.389 . . . . 0.0 111.03 178.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.41 -51.33 69.87 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.726 0.81 . . . . 0.0 110.623 178.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 90.5 mt -61.81 -41.98 98.44 Favored 'General case' 0 CA--C 1.532 0.272 0 O-C-N 121.786 -0.571 . . . . 0.0 110.543 -178.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.96 -43.59 98.54 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.501 0.72 . . . . 0.0 110.282 174.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 21.0 ttp -51.41 -34.15 33.41 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.932 0.893 . . . . 0.0 110.04 174.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 67.4 mt -74.81 -77.27 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 169.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . 0.28 49.9 p90 -57.43 -37.18 72.37 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 115.787 1.773 . . . . 0.0 115.787 -166.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -75.74 29.56 0.11 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.899 1.28 . . . . 0.0 112.945 175.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -17.86 -45.79 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 130.706 3.603 . . . . 0.0 118.56 -169.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -41.22 -42.05 2.0 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.661 1.184 . . . . 0.0 113.197 -177.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 2.7 pp -59.77 -27.12 66.26 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 28.3 mtmm -87.65 -56.0 3.54 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 168.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.369 0 N-CA-C 110.741 -0.944 . . . . 0.0 110.741 175.675 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.426 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 53.93 46.99 24.48 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.879 1.272 . . . . 0.0 110.877 -175.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.1 m -48.21 121.33 9.02 Favored Pre-proline 0 CA--C 1.536 0.426 0 CA-C-O 117.89 -1.052 . . . . 0.0 108.623 172.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -37.37 -54.09 1.22 Allowed 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 124.557 3.505 . . . . 0.0 116.513 -168.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -66.91 -43.36 83.55 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 121.471 -0.768 . . . . 0.0 110.941 -178.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -58.83 -47.94 83.07 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 121.526 -0.734 . . . . 0.0 109.579 175.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.5 tp60 -54.83 -39.45 68.55 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.415 0.686 . . . . 0.0 110.628 173.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.2 -43.4 92.25 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 119.238 0.926 . . . . 0.0 111.108 173.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 22.9 mm -61.23 -38.19 79.23 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 O-C-N 121.087 -1.008 . . . . 0.0 110.169 171.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -51.42 -47.33 51.32 Favored Glycine 0 CA--C 1.535 1.342 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 168.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.9 mp -60.16 -39.75 87.48 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-O 117.709 -1.139 . . . . 0.0 110.993 173.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.1 mp -55.27 -50.34 69.75 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 121.143 1.792 . . . . 0.0 110.096 172.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 86.1 mt -58.1 -44.47 87.45 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 O-C-N 121.996 -0.44 . . . . 0.0 110.51 178.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.14 -65.24 3.41 Favored Glycine 0 CA--C 1.534 1.256 0 O-C-N 121.741 -0.6 . . . . 0.0 111.948 176.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.5 tt -60.13 -31.31 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 125.591 1.556 . . . . 0.0 111.771 -169.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -30.04 -73.96 0.03 OUTLIER 'General case' 0 C--N 1.344 0.369 0 C-N-CA 125.494 1.518 . . . . 0.0 111.692 176.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.425 ' NE2' ' OD2' ' A' ' 25' ' ' ASP . 0.0 OUTLIER -90.4 20.03 4.79 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 126.522 1.929 . . . . 0.0 113.119 -178.614 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -43.51 65.39 Favored 'General case' 0 N--CA 1.461 0.118 0 N-CA-C 104.401 -2.444 . . . . 0.0 104.401 165.579 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -69.4 78.92 0.39 Allowed 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 169.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.6 m -129.06 24.18 5.62 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 126.236 1.814 . . . . 0.0 109.887 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.98 -63.66 3.81 Favored Glycine 0 C--N 1.336 0.582 0 N-CA-C 106.413 -2.675 . . . . 0.0 106.413 -169.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.415 ' NZ ' ' OE1' ' A' ' 23' ' ' GLU . 5.0 mmmp? -117.37 -120.28 0.31 Allowed 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 166.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.415 ' OE1' ' NZ ' ' A' ' 22' ' ' LYS . 13.4 mp0 -127.8 122.34 32.49 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 -170.005 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -172.83 130.24 1.86 Allowed Glycine 0 CA--C 1.523 0.573 0 N-CA-C 108.063 -2.015 . . . . 0.0 108.063 177.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.425 ' OD2' ' NE2' ' A' ' 17' ' ' HIS . 10.2 t70 -69.41 -72.8 0.17 Allowed 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 117.562 0.681 . . . . 0.0 110.462 -176.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 43.5 mmtm -68.63 76.04 0.28 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.639 1.176 . . . . 0.0 109.662 -175.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -153.91 124.45 7.09 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.279 1.032 . . . . 0.0 109.306 -169.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 p -78.1 152.27 32.96 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 125.223 1.409 . . . . 0.0 110.317 176.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.3 mt -83.44 71.84 10.27 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 121.545 -0.722 . . . . 0.0 109.163 -176.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.0 p -64.78 73.2 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.641 1.576 . . . . 0.0 114.153 -174.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.436 ' NZ ' ' OE2' ' A' ' 67' ' ' GLU 0.331 0.0 OUTLIER 55.6 -61.4 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 129.878 3.271 . . . . 0.0 115.58 175.612 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.1 pttp -56.96 -41.09 77.68 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.187 -0.946 . . . . 0.0 109.974 175.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.6 mp0 -52.71 -51.9 58.4 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.835 -0.541 . . . . 0.0 111.215 170.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.7 mt -59.61 -44.95 93.26 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 118.358 0.526 . . . . 0.0 111.111 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.27 -51.3 45.99 Favored 'General case' 0 C--N 1.34 0.181 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 171.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -65.89 -32.33 73.78 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -175.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.2 tt -62.09 -77.4 0.05 OUTLIER 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 126.062 1.745 . . . . 0.0 109.546 176.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.2 pt -53.42 -0.48 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.553 1.081 0 N-CA-C 116.865 2.172 . . . . 0.0 116.865 -166.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.408 ' C ' ' H ' ' A' ' 41' ' ' GLU . 19.0 mm-40 -90.57 -59.85 2.07 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 120.763 1.619 . . . . 0.0 108.199 168.657 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.2 mttp -78.5 32.19 0.19 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 129.847 3.259 . . . . 0.0 107.558 169.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.408 ' H ' ' C ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -27.88 -108.12 0.0 OUTLIER 'General case' 0 N--CA 1.425 -1.712 1 C-N-CA 131.711 4.005 . . . . 0.0 118.915 -158.553 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . 0.376 7.6 mt -98.41 -97.03 0.22 Allowed 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 113.928 -1.487 . . . . 0.0 114.129 -162.378 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.0 m -157.37 156.35 32.13 Favored 'General case' 0 N--CA 1.463 0.198 0 O-C-N 121.068 -1.02 . . . . 0.0 110.304 -177.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.1 pt -79.86 59.91 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 124.069 0.948 . . . . 0.0 110.193 169.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -57.22 -41.23 92.74 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 109.731 -1.347 . . . . 0.0 109.731 170.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.0 p -156.23 -59.58 0.1 Allowed 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 125.34 1.456 . . . . 0.0 107.108 171.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt 62.82 34.58 14.35 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 126.082 1.753 . . . . 0.0 113.227 173.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.2 mp -67.01 -34.74 78.4 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 165.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -164.54 -41.09 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.506 1.522 . . . . 0.0 110.188 172.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . 0.375 1.7 p30 67.08 -129.74 0.16 Allowed 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 107.0 -1.481 . . . . 0.0 107.0 -165.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -145.95 105.25 3.93 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 120.231 1.378 . . . . 0.0 107.991 170.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.2 mp0 -42.22 -51.22 4.79 Favored 'General case' 0 C--O 1.226 -0.147 0 C-N-CA 125.806 1.642 . . . . 0.0 110.703 178.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 38.8 mm -51.7 -48.69 37.16 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 123.434 0.693 . . . . 0.0 110.298 177.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 49.6 t -67.04 -53.63 31.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -176.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.7 pttm -62.42 -31.69 72.43 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 118.671 0.669 . . . . 0.0 111.887 -177.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 63.2 tp -65.09 -50.29 66.67 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.849 -0.532 . . . . 0.0 109.992 171.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.5 tpt -58.43 -47.92 82.38 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 122.966 0.506 . . . . 0.0 110.346 -177.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -42.91 -43.27 4.03 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 125.718 1.607 . . . . 0.0 111.875 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -62.55 3.85 0.18 Allowed 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -178.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 pp -84.36 -32.69 24.1 Favored 'General case' 0 CA--C 1.528 0.116 0 O-C-N 119.889 -1.757 . . . . 0.0 109.943 169.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -49.44 -37.85 27.25 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 125.083 1.353 . . . . 0.0 111.365 -170.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 31.3 ptt85 -53.38 -19.9 3.93 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 178.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -29.96 -49.74 0.11 Allowed 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 126.906 2.082 . . . . 0.0 115.603 -174.108 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.03 103.16 1.11 Allowed 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 -176.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.299 3.3 p30 68.18 -36.44 0.31 Allowed 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 128.535 2.734 . . . . 0.0 115.41 173.054 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 67.61 20.67 9.59 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.986 1.714 . . . . 0.0 112.901 -177.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.436 ' OE2' ' NZ ' ' A' ' 31' ' ' LYS . 26.4 mm-40 -107.79 42.87 1.27 Allowed 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 105.972 -1.862 . . . . 0.0 105.972 167.429 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.4 m -62.46 158.16 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -167.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -115.48 -159.5 0.71 Allowed 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 124.982 1.313 . . . . 0.0 108.224 175.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -64.31 -31.92 73.31 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 118.886 -0.578 . . . . 0.0 111.437 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . 0.251 0.0 OUTLIER -62.65 -52.97 61.23 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 119.628 1.104 . . . . 0.0 113.582 -172.102 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.0 mp0 -60.54 -57.22 13.66 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 122.375 1.083 . . . . 0.0 108.632 -178.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -38.63 -60.39 0.82 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 126.049 1.74 . . . . 0.0 111.262 173.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 7.3 tp -72.87 -23.25 20.33 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.203 0 CA-C-O 118.634 -0.698 . . . . 0.0 112.025 -175.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 88.3 m -59.34 -56.31 23.7 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 119.884 1.22 . . . . 0.0 109.582 171.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -68.98 -46.12 68.89 Favored 'General case' 0 N--CA 1.458 -0.071 0 C-N-CA 120.359 -0.536 . . . . 0.0 111.743 -178.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.5 mt -56.69 -34.11 67.1 Favored 'General case' 0 C--O 1.224 -0.252 0 O-C-N 121.293 -0.879 . . . . 0.0 110.983 173.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.61 -47.56 82.43 Favored Glycine 0 CA--C 1.525 0.719 0 C-N-CA 124.167 0.889 . . . . 0.0 111.4 174.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.62 -49.52 64.95 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 117.699 0.749 . . . . 0.0 109.717 172.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 25.3 tp -64.05 -37.14 86.35 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 122.932 0.493 . . . . 0.0 111.57 179.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -48.33 -50.9 28.5 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 126.219 1.808 . . . . 0.0 112.302 -172.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 89.6 mtp -47.83 -34.0 8.12 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 125.658 1.849 . . . . 0.0 111.404 176.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 27.7 mm -90.96 -64.22 1.23 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 C-N-CA 124.488 1.115 . . . . 0.0 110.61 179.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . 0.272 0.2 OUTLIER -78.67 -44.49 23.57 Favored 'General case' 0 C--N 1.341 0.235 0 N-CA-C 115.704 1.742 . . . . 0.0 115.704 -166.928 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . 0.286 0.4 OUTLIER -92.12 -43.68 9.24 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 120.277 1.399 . . . . 0.0 113.323 -171.921 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -158.22 147.99 19.82 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 123.182 0.593 . . . . 0.0 110.038 -174.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -80.28 51.47 1.42 Allowed 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 105.764 -1.939 . . . . 0.0 105.764 162.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 79.7 mt 30.93 71.2 0.08 Allowed 'General case' 0 C--N 1.343 0.293 0 C-N-CA 129.282 3.033 . . . . 0.0 112.085 -169.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.67 ' O ' ' OXT' ' A' ' 90' ' ' GLY . 55.1 mmtt 63.43 -63.74 0.13 Allowed 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 127.969 2.508 . . . . 0.0 111.586 -169.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.67 ' OXT' ' O ' ' A' ' 89' ' ' LYS . . . . . . . . 0 C--O 1.269 2.309 0 C-N-CA 124.286 0.946 . . . . 0.0 111.063 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 72.2 mtm . . . . . 0 CA--C 1.53 0.192 0 CA-C-O 120.651 0.262 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -156.67 172.64 18.24 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 106.825 -1.546 . . . . 0.0 106.825 175.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 5.4 m -48.32 138.31 11.17 Favored Pre-proline 0 CA--C 1.538 0.499 0 C-N-CA 125.205 1.402 . . . . 0.0 110.581 178.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_exo -43.11 -58.49 1.33 Allowed 'Trans proline' 0 CA--C 1.534 0.499 0 C-N-CA 123.842 3.028 . . . . 0.0 115.325 -172.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 7.8 tt -59.81 -58.04 10.28 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 -176.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -49.2 -48.44 45.28 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 125.776 1.63 . . . . 0.0 110.281 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -61.19 -49.97 75.03 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.259 1.024 . . . . 0.0 110.324 178.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.18 -56.79 17.23 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 122.876 0.47 . . . . 0.0 110.581 -178.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 28.8 mm -62.13 -40.7 88.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 O-C-N 121.628 -0.67 . . . . 0.0 109.926 178.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.64 -44.07 16.45 Favored Glycine 0 CA--C 1.524 0.637 0 C-N-CA 125.568 1.556 . . . . 0.0 111.64 170.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.23 -62.66 1.52 Allowed 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 118.783 1.292 . . . . 0.0 108.651 175.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -54.65 -61.21 2.46 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.101 0.41 . . . . 0.0 111.15 -174.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 18.4 mt -69.59 -41.64 80.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 122.785 0.434 . . . . 0.0 110.77 -173.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.09 -63.23 3.93 Favored Glycine 0 CA--C 1.522 0.476 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -177.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 4.9 tp -54.68 -35.53 32.99 Favored 'Isoleucine or valine' 0 C--N 1.341 0.224 0 CA-C-O 119.083 -0.484 . . . . 0.0 110.636 -169.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -30.3 -69.92 0.06 Allowed 'General case' 0 C--N 1.343 0.311 0 C-N-CA 125.676 1.59 . . . . 0.0 112.129 175.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . 0.436 ' HA ' HD11 ' B' ' 29' ' ' LEU . 0.1 OUTLIER -92.07 0.79 57.47 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 -179.831 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.13 -42.9 70.02 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 120.23 1.377 . . . . 0.0 110.598 -178.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -70.54 -4.63 23.97 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -178.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 68.2 m -78.98 -6.81 57.22 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 118.854 0.752 . . . . 0.0 110.378 166.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.48 -68.27 2.98 Favored Glycine 0 C--N 1.34 0.803 0 N-CA-C 108.127 -1.989 . . . . 0.0 108.127 -175.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 7.3 ptmm? -94.25 116.93 29.39 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 128.177 2.591 . . . . 0.0 107.36 174.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.402 ' OE1' ' ND1' ' B' ' 17' ' ' HIS . 17.7 mt-10 -98.09 -23.24 15.82 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 124.749 1.22 . . . . 0.0 113.627 -168.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.12 -53.38 34.5 Favored Glycine 0 CA--C 1.526 0.753 0 C-N-CA 124.155 0.883 . . . . 0.0 112.65 -169.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 27.8 p-10 -89.97 -49.53 6.54 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 124.823 1.249 . . . . 0.0 110.943 -174.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -69.01 79.41 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 122.397 1.094 . . . . 0.0 111.671 -176.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -77.69 2.56 16.44 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.108 1.363 . . . . 0.0 111.058 168.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 21.8 p -137.28 150.17 47.61 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 125.344 1.457 . . . . 0.0 108.903 177.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.436 HD11 ' HA ' ' B' ' 17' ' ' HIS . 10.4 mp -113.92 113.51 24.95 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 124.749 1.219 . . . . 0.0 107.731 179.404 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 40.8 p -79.75 58.21 2.74 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.432 1.093 . . . . 0.0 110.69 -177.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . 0.334 4.2 ptpp? 59.1 -42.87 0.07 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 130.045 3.338 . . . . 0.0 117.386 174.605 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -60.2 -45.12 94.24 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 120.541 -1.349 . . . . 0.0 109.796 178.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -57.92 -48.29 80.34 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 124.941 1.296 . . . . 0.0 109.445 175.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 13.1 tp -55.22 -51.83 65.3 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 176.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.84 -37.92 45.93 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 122.975 0.51 . . . . 0.0 110.284 178.402 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -73.48 -40.71 63.91 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 177.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.6 tt -57.68 -67.78 0.3 Allowed 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 126.246 1.818 . . . . 0.0 110.822 178.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . 0.548 ' HA ' ' HB3' ' B' ' 41' ' ' GLU . 26.7 pt -57.78 6.52 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.553 1.072 0 C-N-CA 126.744 2.017 . . . . 0.0 116.406 -167.269 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -92.81 -68.6 0.79 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 127.555 2.342 . . . . 0.0 111.93 169.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.14 33.61 0.96 Allowed 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 129.961 3.304 . . . . 0.0 109.106 178.387 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.548 ' HB3' ' HA ' ' B' ' 38' ' ' ILE . 0.1 OUTLIER -69.82 -111.42 0.0 OUTLIER 'General case' 0 N--CA 1.435 -1.212 1 N-CA-C 122.757 4.354 . . . . 0.0 122.757 -160.351 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 47.4 mt -101.26 -60.36 1.54 Allowed 'General case' 0 N--CA 1.445 -0.725 0 C-N-CA 127.445 2.298 . . . . 0.0 114.09 -164.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 18.9 p -52.62 71.62 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 129.254 3.022 . . . . 0.0 116.467 -166.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 17.9 pt -76.7 53.78 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-O 122.683 1.23 . . . . 0.0 110.242 167.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -76.91 62.07 3.3 Favored Glycine 0 CA--C 1.524 0.604 0 C-N-CA 125.793 1.663 . . . . 0.0 111.858 -172.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 15.7 m 47.64 43.51 16.47 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.594 1.158 . . . . 0.0 112.892 169.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 57.89 26.44 13.32 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.217 1.007 . . . . 0.0 113.533 179.411 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 62.4 tp -60.88 123.74 18.43 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 169.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 -82.69 58.59 4.32 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.858 0.863 . . . . 0.0 109.895 179.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -123.78 161.38 25.34 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 125.291 1.436 . . . . 0.0 107.356 168.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -147.45 -53.99 0.22 Allowed 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 106.584 -1.636 . . . . 0.0 106.584 169.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -45.07 -58.22 3.35 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 124.965 1.306 . . . . 0.0 112.305 177.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 1.7 mp -67.95 -52.81 35.43 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 CA-C-N 119.038 0.835 . . . . 0.0 109.481 -169.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 4.8 m -54.8 -46.76 74.99 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 O-C-N 121.789 -0.569 . . . . 0.0 111.257 177.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -50.44 73.5 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.215 0.461 . . . . 0.0 110.339 179.133 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 50.3 mt -56.84 -40.24 75.71 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 122.185 -0.322 . . . . 0.0 110.97 179.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 47.2 ttm -63.89 -63.25 1.21 Allowed 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 174.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -40.74 -49.45 3.09 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 127.079 2.152 . . . . 0.0 111.918 -178.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -56.01 -23.76 34.9 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 113.515 0.931 . . . . 0.0 113.515 -175.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 pp -60.0 -35.25 74.65 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 120.21 -1.556 . . . . 0.0 112.816 -176.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.4 ' OD1' ' NZ ' ' B' ' 64' ' ' LYS . 11.5 t70 -85.59 -5.11 59.31 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.495 0.665 . . . . 0.0 110.638 178.535 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.91 22.07 0.05 Allowed 'General case' 0 CA--C 1.538 0.498 0 O-C-N 119.834 -1.791 . . . . 0.0 113.323 -171.065 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 26.5 t30 -31.33 -77.54 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.527 1.531 . . . . 0.0 111.653 169.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . 0.4 ' NZ ' ' OD1' ' B' ' 61' ' ' ASP . 0.0 OUTLIER 39.63 44.79 1.29 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.658 1.183 . . . . 0.0 113.191 172.736 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -71.98 -49.88 33.55 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 106.005 -1.85 . . . . 0.0 106.005 168.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -56.37 149.09 17.35 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 168.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -61.24 133.19 55.66 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 172.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 12.2 t -69.79 143.12 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 CA-C-O 122.055 0.931 . . . . 0.0 110.738 -166.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -148.18 155.53 41.5 Favored 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 127.716 2.407 . . . . 0.0 105.15 -169.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -56.53 -33.09 65.74 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 123.277 0.361 . . . . 0.0 111.156 -172.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -56.34 -61.29 2.5 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 118.786 -0.626 . . . . 0.0 111.425 176.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -70.48 -33.45 71.27 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 118.879 -1.128 . . . . 0.0 110.301 -176.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -57.51 -54.18 49.75 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.299 0.639 . . . . 0.0 111.959 176.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 8.3 tp -68.11 -24.29 29.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -167.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 23.5 m -49.03 -54.31 16.35 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 119.623 1.102 . . . . 0.0 112.617 -176.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -62.07 -50.39 72.17 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 120.006 -0.678 . . . . 0.0 110.661 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 31.0 mt -51.13 -35.61 36.45 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.691 0.796 . . . . 0.0 111.699 177.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -61.25 -47.92 88.36 Favored Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 111.5 -0.64 . . . . 0.0 111.5 176.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.35 -53.62 49.75 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 174.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 21.0 tp -52.01 -41.13 61.98 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.47 1.108 . . . . 0.0 111.465 -176.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -48.77 -43.79 38.15 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 125.231 1.412 . . . . 0.0 112.025 177.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 80.1 mtp -65.7 -18.17 65.14 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.123 0.569 . . . . 0.0 111.194 -179.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 36.0 mt -92.51 -67.68 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 C-N-CA 124.254 1.022 . . . . 0.0 110.64 170.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -90.84 -17.78 25.97 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 118.151 2.649 . . . . 0.0 118.151 -165.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -88.76 -102.43 0.09 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 120.881 1.673 . . . . 0.0 109.506 -169.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -84.56 -13.26 52.27 Favored 'General case' 0 N--CA 1.452 -0.331 0 O-C-N 121.573 -0.705 . . . . 0.0 110.635 168.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . 55.51 33.01 20.16 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -163.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 67.3 mt 56.28 92.63 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 126.605 1.962 . . . . 0.0 110.114 -169.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . 0.848 ' O ' ' OXT' ' B' ' 90' ' ' GLY . 0.0 OUTLIER 52.17 30.9 8.29 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.445 1.098 . . . . 0.0 113.088 172.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . 0.848 ' OXT' ' O ' ' B' ' 89' ' ' LYS . . . . . . . . 0 C--O 1.269 2.331 0 O-C-N 121.178 -0.951 . . . . 0.0 111.344 -175.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.2 ttt . . . . . 0 CA--C 1.536 0.423 0 CA-C-O 118.998 -0.525 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 166.61 0.33 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.443 1.897 . . . . 0.0 113.078 -172.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.9 m -70.24 166.08 37.72 Favored Pre-proline 0 CA--C 1.536 0.435 0 O-C-N 121.032 -1.042 . . . . 0.0 109.949 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -44.2 -40.84 12.87 Favored 'Trans proline' 0 CA--C 1.534 0.523 0 C-N-CA 123.497 2.798 . . . . 0.0 113.221 172.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 55.9 tp -49.82 -57.31 7.64 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.991 0.917 . . . . 0.0 111.269 171.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -60.52 -50.41 73.67 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 123.62 0.768 . . . . 0.0 109.084 -179.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -51.33 -41.31 60.47 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.735 0.814 . . . . 0.0 110.469 179.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.06 -11.37 60.92 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.1 mt -91.45 -52.49 10.15 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 167.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -41.59 -46.31 4.65 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 125.453 1.501 . . . . 0.0 111.999 175.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 65.6 tp -42.39 -50.48 5.11 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 125.203 1.401 . . . . 0.0 110.977 175.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.89 -27.38 66.61 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 118.59 -0.719 . . . . 0.0 111.446 -176.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.6 mt -70.46 -44.47 77.14 Favored 'Isoleucine or valine' 0 C--N 1.34 0.187 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 169.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.39 -52.49 23.47 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 110.3 -1.12 . . . . 0.0 110.3 174.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.1 mm -58.8 -63.42 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-O 118.373 -0.822 . . . . 0.0 109.845 176.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -32.35 -68.36 0.1 Allowed 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 125.643 1.577 . . . . 0.0 109.693 174.444 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . 0.273 0.1 OUTLIER -88.93 10.89 19.74 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -171.245 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.9 ttmt -62.67 -43.82 97.83 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 104.606 -2.368 . . . . 0.0 104.606 163.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.456 ' CZ ' ' HA ' ' A' ' 37' ' ' LEU . 63.4 m-85 -75.74 73.02 2.7 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 124.976 1.311 . . . . 0.0 109.464 177.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 39.7 m -121.08 34.15 5.31 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.692 1.197 . . . . 0.0 109.557 170.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.84 50.06 3.81 Favored Glycine 0 CA--C 1.528 0.9 0 N-CA-C 111.487 -0.645 . . . . 0.0 111.487 -175.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -157.57 -86.0 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 104.323 -2.473 . . . . 0.0 104.323 173.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.48 -60.84 1.45 Allowed 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 126.323 1.849 . . . . 0.0 107.822 167.411 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.37 -56.89 1.18 Allowed Glycine 0 CA--C 1.532 1.131 0 C-N-CA 125.56 1.552 . . . . 0.0 112.652 179.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.441 ' CG ' ' H ' ' A' ' 26' ' ' LYS . 34.6 t70 48.18 -129.93 1.74 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.32 1.448 . . . . 0.0 108.772 -178.189 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.441 ' H ' ' CG ' ' A' ' 25' ' ' ASP . 1.2 ptpp? -114.7 27.8 9.18 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 124.265 1.026 . . . . 0.0 108.293 169.584 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -86.87 -156.64 0.33 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 121.538 -0.726 . . . . 0.0 109.308 178.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.4 p -68.63 -168.65 0.13 Allowed 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 127.88 2.472 . . . . 0.0 109.853 174.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 92.3 mt -116.03 115.5 26.23 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 104.827 -2.286 . . . . 0.0 104.827 167.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.6 172.27 8.88 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 177.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -44.91 -52.94 8.15 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.18 0.592 . . . . 0.0 111.264 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -56.89 -57.35 12.89 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 119.193 -0.432 . . . . 0.0 110.228 -177.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -49.7 -42.33 45.5 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 119.101 -0.476 . . . . 0.0 111.648 174.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -65.99 -47.41 74.6 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 119.079 0.854 . . . . 0.0 110.213 -177.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -58.73 -44.47 90.46 Favored 'General case' 0 CA--C 1.529 0.15 0 O-C-N 120.976 -1.078 . . . . 0.0 109.338 176.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -54.72 -41.97 70.98 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 122.825 0.45 . . . . 0.0 111.141 176.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.456 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 6.2 tt -54.7 -27.62 41.86 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 125.833 1.653 . . . . 0.0 113.177 176.61 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.3 tt -63.9 -16.35 18.48 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 175.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -41.68 -85.96 0.0 OUTLIER 'General case' 0 C--N 1.345 0.38 0 C-N-CA 126.504 1.922 . . . . 0.0 111.825 176.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.7 tptp -95.18 -66.38 0.92 Allowed 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 114.781 1.4 . . . . 0.0 114.781 -167.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 48.4 mp0 -68.43 -18.82 64.52 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 -163.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.76 -16.96 59.33 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 118.425 -0.797 . . . . 0.0 111.738 171.304 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.7 m 38.73 44.95 0.86 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.84 1.656 . . . . 0.0 111.887 171.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.1 pp -79.46 -23.2 12.29 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -168.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.54 -70.62 0.37 Allowed Glycine 0 CA--C 1.531 1.066 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 -172.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.8 m -156.86 66.26 0.53 Allowed 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 126.302 1.841 . . . . 0.0 106.736 172.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 45.8 mttm 41.11 47.8 2.85 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.784 1.634 . . . . 0.0 110.978 -171.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 54.5 tp 61.15 -68.95 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 126.092 1.757 . . . . 0.0 111.047 -169.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.95 82.5 1.87 Allowed 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 125.545 1.538 . . . . 0.0 107.525 174.273 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -47.4 148.34 1.37 Allowed 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 122.082 0.944 . . . . 0.0 112.598 177.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -171.25 149.95 2.88 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 130.639 3.576 . . . . 0.0 104.11 176.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -55.6 -41.91 74.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 119.623 1.102 . . . . 0.0 110.027 -173.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.0 mp -52.97 -48.34 52.04 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 123.874 0.87 . . . . 0.0 109.753 171.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 75.6 t -66.92 -36.49 77.3 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -177.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.8 mtmm -58.92 -58.62 7.84 Favored 'General case' 0 C--N 1.34 0.157 0 CA-C-N 118.749 0.704 . . . . 0.0 109.834 172.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.5 mp -49.23 -46.61 46.18 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 122.875 0.47 . . . . 0.0 110.863 179.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 57.2 mtt -58.0 -68.58 0.23 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 119.003 -0.522 . . . . 0.0 111.171 175.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.49 ' C ' ' H ' ' A' ' 60' ' ' LEU . 12.1 t70 -71.17 -16.8 62.55 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 -168.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.34 32.66 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 163.213 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.49 ' H ' ' C ' ' A' ' 58' ' ' ASP . 45.7 tp -52.02 -26.15 10.12 Favored 'General case' 0 C--N 1.344 0.335 0 C-N-CA 129.022 2.929 . . . . 0.0 112.686 -169.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -45.58 -30.43 1.48 Allowed 'General case' 0 C--O 1.236 0.375 0 C-N-CA 124.508 1.123 . . . . 0.0 110.998 167.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.2 ttp85 -33.51 -38.02 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.523 1.929 . . . . 0.0 112.891 167.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -38.71 -40.62 0.62 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.677 1.591 . . . . 0.0 114.503 -179.064 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -127.06 44.77 2.84 Favored 'General case' 0 CA--C 1.529 0.136 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.2 t0 40.92 55.33 3.11 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 125.219 1.408 . . . . 0.0 112.579 -170.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 74.35 -24.68 0.21 Allowed 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 116.554 2.057 . . . . 0.0 116.554 163.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.72 114.76 5.24 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 167.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 t -122.23 143.91 33.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 C-N-CA 124.433 1.093 . . . . 0.0 113.346 -167.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -106.25 175.07 5.62 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.452 1.501 . . . . 0.0 110.774 168.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -50.0 -52.24 35.49 Favored 'General case' 0 C--N 1.344 0.329 0 C-N-CA 122.791 0.436 . . . . 0.0 110.769 -178.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.1 tm0? -55.72 -52.1 65.07 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 -173.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -57.76 -56.0 27.6 Favored 'General case' 0 C--O 1.233 0.195 0 O-C-N 122.074 -0.391 . . . . 0.0 111.521 177.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -44.5 -57.83 3.35 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 123.994 0.918 . . . . 0.0 109.255 178.203 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.5 tp -75.03 -24.93 18.08 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.998 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.569 -170.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 93.7 m -63.71 -44.17 94.41 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 119.609 1.095 . . . . 0.0 109.403 169.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.18 -49.9 75.43 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 119.115 -0.469 . . . . 0.0 110.603 178.14 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.8 mp -56.31 -51.6 67.62 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 119.845 -0.742 . . . . 0.0 109.656 168.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -40.23 -51.49 3.58 Favored Glycine 0 C--N 1.336 0.528 0 C-N-CA 128.055 2.741 . . . . 0.0 112.851 -178.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.84 -37.36 68.6 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 117.477 0.638 . . . . 0.0 112.015 -177.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 73.7 mt -90.81 -25.02 20.13 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.806 0.842 . . . . 0.0 111.724 179.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -37.18 -59.3 0.74 Allowed 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 126.757 2.023 . . . . 0.0 114.688 -167.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 2.6 mtp -67.21 -14.61 63.07 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 119.913 -0.715 . . . . 0.0 112.783 -172.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 42.7 mm -91.33 -67.81 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 C-N-CA 124.399 1.08 . . . . 0.0 109.803 169.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.409 ' O ' ' CG ' ' A' ' 84' ' ' TYR 0.27 0.0 OUTLIER -78.32 30.89 0.18 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.088 1.755 . . . . 0.0 114.211 -168.876 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -20.09 -4.32 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.752 2 N-CA-C 125.31 5.3 . . . . 0.0 125.31 -160.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -72.58 72.18 1.0 Allowed 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 123.43 2.832 . . . . 0.0 106.367 164.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -172.86 -29.84 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 127.518 2.327 . . . . 0.0 109.159 -168.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.431 ' HA ' ' CZ ' ' B' ' 70' ' ' PHE . 9.8 mp -47.62 -17.98 0.12 Allowed 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 125.226 1.41 . . . . 0.0 113.419 168.432 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.0 55.0 1.18 Allowed 'General case' 0 CA--C 1.529 0.148 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 167.423 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.269 2.325 0 N-CA-C 111.855 -0.498 . . . . 0.0 111.855 169.957 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 84.9 mtp . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -160.47 152.6 20.32 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 106.093 -1.817 . . . . 0.0 106.093 176.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 42.8 m -94.35 152.98 40.55 Favored Pre-proline 0 CA--C 1.535 0.369 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 173.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_exo -47.47 -57.69 2.17 Favored 'Trans proline' 0 CA--C 1.536 0.613 0 C-N-CA 122.871 2.381 . . . . 0.0 114.458 -173.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 61.3 tp -59.35 -50.06 75.42 Favored 'General case' 0 C--O 1.225 -0.193 0 C-N-CA 122.575 0.35 . . . . 0.0 110.429 -178.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.56 -55.71 12.5 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.177 1.791 . . . . 0.0 110.997 175.552 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.23 -51.62 66.0 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.476 0.711 . . . . 0.0 109.525 178.078 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.9 -42.92 98.97 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.886 -0.509 . . . . 0.0 112.312 -178.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 5.1 mm -51.43 -51.71 23.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 171.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.71 -55.35 9.72 Favored Glycine 0 CA--C 1.529 0.957 0 C-N-CA 123.852 0.739 . . . . 0.0 111.561 170.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 85.7 mt -55.84 -44.8 78.33 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.324 1.062 . . . . 0.0 112.52 -177.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.32 -31.02 63.75 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 119.781 1.173 . . . . 0.0 112.228 -169.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 4.3 tt -77.51 -37.82 25.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 118.862 0.755 . . . . 0.0 109.702 168.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -44.15 -66.13 1.43 Allowed Glycine 0 CA--C 1.528 0.847 0 C-N-CA 125.661 1.6 . . . . 0.0 111.183 173.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 87.2 mt -54.06 -63.3 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 125.602 1.561 . . . . 0.0 109.16 178.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.504 ' CE1' ' CE1' ' B' ' 17' ' ' HIS . 15.4 t80 -29.79 -53.79 0.15 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.654 1.982 . . . . 0.0 113.188 172.188 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . 0.504 ' CE1' ' CE1' ' B' ' 16' ' ' PHE . 1.3 m-70 -84.3 -47.2 11.0 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 119.716 1.144 . . . . 0.0 113.56 178.332 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -52.96 -30.23 33.56 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 124.757 1.223 . . . . 0.0 112.041 -179.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -60.26 -32.87 71.57 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 118.125 -0.94 . . . . 0.0 111.706 177.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . 0.425 ' HB3' ' H ' ' B' ' 25' ' ' ASP . 72.1 m -79.55 22.27 0.46 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.744 0.818 . . . . 0.0 112.576 170.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.48 -34.26 84.79 Favored Glycine 0 CA--C 1.532 1.154 0 N-CA-C 110.176 -1.17 . . . . 0.0 110.176 168.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.472 ' H ' ' HD3' ' B' ' 22' ' ' LYS . 0.0 OUTLIER -89.88 147.31 23.83 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 104.787 -2.301 . . . . 0.0 104.787 167.928 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 74.7 -47.63 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 126.702 2.001 . . . . 0.0 110.472 -166.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.17 67.95 0.95 Allowed Glycine 0 CA--C 1.523 0.548 0 C-N-CA 123.777 0.703 . . . . 0.0 111.488 169.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . 0.425 ' H ' ' HB3' ' B' ' 20' ' ' SER 0.615 3.2 t70 -105.57 -170.66 1.78 Allowed 'General case' 0 C--N 1.341 0.237 0 N-CA-C 115.499 1.666 . . . . 0.0 115.499 169.893 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 1.3 ptpp? -174.46 -36.6 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 124.178 0.991 . . . . 0.0 111.007 -160.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -104.65 -21.25 13.43 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.927 0.891 . . . . 0.0 111.1 -177.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -131.38 -177.23 4.31 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 126.339 1.855 . . . . 0.0 110.257 -178.623 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -116.43 124.44 50.01 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 106.118 -1.808 . . . . 0.0 106.118 169.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 69.4 m -80.61 70.27 7.29 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 124.891 1.276 . . . . 0.0 114.346 -166.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.419 ' HG2' ' H ' ' B' ' 32' ' ' LYS 0.261 0.0 OUTLIER 27.62 -68.97 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 129.119 2.968 . . . . 0.0 116.87 168.445 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.419 ' H ' ' HG2' ' B' ' 31' ' ' LYS . 3.7 ttpm? -50.51 -43.42 55.78 Favored 'General case' 0 N--CA 1.455 -0.189 0 O-C-N 120.784 -1.198 . . . . 0.0 110.15 174.274 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -66.29 -26.47 67.34 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 122.018 -0.426 . . . . 0.0 111.731 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.534 HD11 ' CE2' ' B' ' 76' ' ' PHE . 2.3 tm? -56.91 -35.56 69.15 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 171.486 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 46.2 mttm -68.0 -22.77 64.98 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 122.797 0.439 . . . . 0.0 111.437 179.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -76.1 -57.96 3.56 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 169.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -47.14 -49.09 22.9 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 127.226 2.21 . . . . 0.0 110.868 -173.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 3.2 tt -59.43 -51.97 66.4 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.15 0 C-N-CA 123.444 0.698 . . . . 0.0 111.29 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -65.02 -41.88 94.89 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -174.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -90.9 -97.64 0.11 Allowed 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 123.04 0.536 . . . . 0.0 111.738 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 27.7 mp0 -47.41 -41.91 21.05 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 126.446 1.899 . . . . 0.0 114.464 -167.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 21.0 mt -69.9 28.05 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 116.0 1.852 . . . . 0.0 116.0 -174.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 2.2 m 89.18 -19.56 0.18 Allowed 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 124.438 1.095 . . . . 0.0 112.401 169.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 18.3 mt -58.85 -44.06 89.72 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 168.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.94 -58.12 3.1 Favored Glycine 0 C--N 1.343 0.93 0 C-N-CA 123.919 0.771 . . . . 0.0 111.537 177.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 41.3 p -166.38 -62.1 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 105.824 -1.917 . . . . 0.0 105.824 172.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 75.03 -56.63 0.62 Allowed 'General case' 0 C--O 1.231 0.109 0 C-N-CA 128.836 2.854 . . . . 0.0 110.049 170.4 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 3.1 mp 58.45 109.87 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 127.146 2.178 . . . . 0.0 111.011 -179.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 68.43 78.32 0.23 Allowed 'General case' 0 C--O 1.236 0.354 0 C-N-CA 123.728 0.811 . . . . 0.0 108.897 -170.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.99 -96.62 0.25 Allowed 'General case' 0 N--CA 1.461 0.094 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 169.271 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -138.03 75.99 1.55 Allowed 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 104.297 -2.483 . . . . 0.0 104.297 171.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -49.54 -37.98 29.12 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.872 1.269 . . . . 0.0 111.253 -174.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 40.4 mm -54.31 -47.49 68.87 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 123.022 0.529 . . . . 0.0 110.703 173.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 60.3 t -71.32 -49.36 48.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 -178.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -51.88 -41.5 61.96 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.969 -0.457 . . . . 0.0 111.165 178.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 57.3 tp -64.78 -24.92 67.7 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.406 1.082 . . . . 0.0 112.152 178.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 71.4 mtp -87.4 -59.92 2.12 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.879 1.271 . . . . 0.0 109.96 177.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.533 ' C ' ' H ' ' B' ' 60' ' ' LEU . 2.5 m-20 -70.61 15.14 0.1 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 126.993 2.117 . . . . 0.0 115.687 -172.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -66.55 29.68 0.02 OUTLIER 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 129.028 2.931 . . . . 0.0 109.274 162.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.533 ' H ' ' C ' ' B' ' 58' ' ' ASP . 46.6 tp -47.38 -18.68 0.12 Allowed 'General case' 0 C--N 1.345 0.395 1 C-N-CA 133.245 4.618 . . . . 0.0 113.658 -168.052 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -46.8 -28.1 1.43 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 121.201 0.524 . . . . 0.0 111.066 167.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -62.29 5.15 0.11 Allowed 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 115.637 1.717 . . . . 0.0 115.637 173.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -62.99 25.28 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 116.467 2.025 . . . . 0.0 116.467 -172.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 73.67 -60.2 0.54 Allowed 'General case' 0 C--O 1.234 0.245 0 C-N-CA 126.673 1.989 . . . . 0.0 110.641 -177.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -78.47 59.9 2.5 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 125.474 1.509 . . . . 0.0 108.781 178.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -66.52 -175.02 0.34 Allowed 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 126.886 2.074 . . . . 0.0 111.172 178.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 62.06 55.67 2.45 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 104.689 -2.337 . . . . 0.0 104.689 -167.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 11.7 m -59.8 143.07 14.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-N 114.672 -1.149 . . . . 0.0 113.855 -166.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -88.27 166.67 14.16 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.436 1.094 . . . . 0.0 109.492 171.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.431 ' CZ ' ' HA ' ' A' ' 88' ' ' LEU . 3.8 t80 -47.68 -38.17 14.5 Favored 'General case' 0 C--O 1.222 -0.358 0 C-N-CA 123.627 0.771 . . . . 0.0 111.217 171.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -44.71 -57.26 3.8 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.614 0.765 . . . . 0.0 111.127 169.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.31 -47.09 68.51 Favored 'General case' 0 CA--C 1.531 0.212 0 O-C-N 120.874 -1.141 . . . . 0.0 109.529 -175.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -47.02 -52.78 14.04 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.757 0.823 . . . . 0.0 111.318 176.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 10.4 tp -71.32 -40.98 74.12 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 O-C-N 122.231 -0.293 . . . . 0.0 110.68 -171.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 34.3 p -66.59 -46.91 74.41 Favored 'General case' 0 CA--C 1.51 -0.568 0 O-C-N 121.517 -0.739 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.534 ' CE2' HD11 ' B' ' 34' ' ' LEU . 6.2 t80 -48.86 -53.92 17.41 Favored 'General case' 0 N--CA 1.44 -0.927 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.695 168.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 5.3 mt -54.98 -38.58 68.01 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 118.248 0.477 . . . . 0.0 112.158 174.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.81 -51.04 61.42 Favored Glycine 0 CA--C 1.527 0.842 0 O-C-N 121.768 -0.582 . . . . 0.0 112.063 173.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.29 -50.35 71.65 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 122.752 0.421 . . . . 0.0 110.302 175.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 73.0 mt -52.13 -50.71 61.17 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-O 119.16 -0.448 . . . . 0.0 110.353 174.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.61 -55.74 26.28 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.326 0.651 . . . . 0.0 110.377 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 37.5 mmm -48.34 -37.31 16.32 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.073 0.549 . . . . 0.0 111.375 175.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 73.2 mt -78.39 -80.31 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 C-N-CA 123.112 0.565 . . . . 0.0 111.372 175.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . 0.282 0.0 OUTLIER -69.55 -21.54 63.62 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 120.808 -1.182 . . . . 0.0 114.11 -168.599 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.37 24.22 4.04 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.049 1.34 . . . . 0.0 111.005 172.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -18.16 -45.31 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 130.119 3.368 . . . . 0.0 117.22 -173.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -43.45 -31.17 0.65 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 126.164 1.786 . . . . 0.0 112.756 174.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -39.14 -38.17 0.46 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.775 1.63 . . . . 0.0 113.203 169.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 7.4 mmtm -127.26 -44.42 1.58 Allowed 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 126.17 1.788 . . . . 0.0 111.223 -176.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.269 2.341 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -175.248 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.8 ppp? . . . . . 0 CA--C 1.535 0.402 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -159.73 168.67 25.38 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 106.057 -1.831 . . . . 0.0 106.057 175.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.7 168.94 23.26 Favored Pre-proline 0 CA--C 1.542 0.641 0 C-N-CA 123.574 0.75 . . . . 0.0 111.047 -171.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -47.03 -57.36 2.35 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 123.516 2.811 . . . . 0.0 114.985 -178.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.5 mt -64.75 -42.64 95.01 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 118.868 0.758 . . . . 0.0 110.612 -178.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -46.68 -53.48 11.59 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.417 1.487 . . . . 0.0 109.353 174.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -60.2 -53.17 60.84 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.311 174.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -47.98 -46.67 32.82 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.165 0.986 . . . . 0.0 112.06 -176.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 61.3 mt -49.28 -58.83 1.12 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.289 0 C-N-CA 123.824 0.85 . . . . 0.0 109.927 177.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.67 -45.77 92.94 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.544 -1.023 . . . . 0.0 110.544 178.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 80.9 mt -57.98 -53.35 59.2 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-O 117.869 -1.062 . . . . 0.0 111.541 -177.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -49.59 -51.07 39.85 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 120.977 1.717 . . . . 0.0 110.848 178.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 86.5 mt -57.06 -54.28 32.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 CA-C-N 118.617 0.644 . . . . 0.0 111.415 175.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.83 -58.74 12.94 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 -176.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 75.0 mt -47.27 -58.97 0.77 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.513 0 C-N-CA 126.363 1.865 . . . . 0.0 108.794 173.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -40.91 -60.54 1.16 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.382 1.073 . . . . 0.0 111.854 173.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -70.1 -35.59 74.26 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 120.955 -1.091 . . . . 0.0 113.137 -175.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.5 tptp -65.35 -38.79 91.17 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 121.397 -0.814 . . . . 0.0 110.75 176.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -78.77 -21.05 48.46 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 124.35 1.06 . . . . 0.0 109.232 -178.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.8 p -75.64 64.88 1.75 Allowed 'General case' 0 C--N 1.34 0.179 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 163.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.19 -53.98 38.86 Favored Glycine 0 C--N 1.339 0.721 0 N-CA-C 107.673 -2.171 . . . . 0.0 107.673 176.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? 20.33 83.9 0.01 OUTLIER 'General case' 0 C--N 1.342 0.257 0 C-N-CA 127.903 2.481 . . . . 0.0 111.535 168.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -0.19 -88.49 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 127.092 2.157 . . . . 0.0 114.947 -174.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.49 -93.17 0.07 OUTLIER Glycine 0 CA--C 1.528 0.877 0 C-N-CA 124.518 1.056 . . . . 0.0 111.632 -174.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -60.53 154.43 20.92 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.219 0.608 . . . . 0.0 110.489 -172.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.74 43.26 2.81 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 122.566 1.174 . . . . 0.0 111.044 -168.074 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -133.78 179.12 6.43 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 105.11 -2.182 . . . . 0.0 105.11 167.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.8 p 56.69 106.04 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.353 1.461 . . . . 0.0 112.13 -176.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.444 HD11 ' CD1' ' A' ' 37' ' ' LEU . 3.0 tt -65.77 130.97 45.15 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 128.071 2.548 . . . . 0.0 110.484 -169.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.3 m -70.96 122.64 20.36 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 121.604 0.716 . . . . 0.0 110.108 -178.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -31.52 55.6 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.285 1.434 . . . . 0.0 114.103 -174.164 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.429 ' NZ ' ' OE2' ' A' ' 33' ' ' GLU . 9.1 ttpp -67.03 -60.45 2.62 Favored 'General case' 0 CA--C 1.528 0.113 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 174.458 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.429 ' OE2' ' NZ ' ' A' ' 32' ' ' LYS . 14.8 mp0 -48.53 -42.31 32.86 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.888 1.275 . . . . 0.0 109.984 177.664 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.8 tp -47.05 -44.38 20.75 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.786 -0.571 . . . . 0.0 112.283 174.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.424 ' HZ2' ' CG ' ' A' ' 58' ' ' ASP . 48.5 tptt -62.47 -34.29 76.54 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 118.409 0.55 . . . . 0.0 110.944 -176.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 68.9 tt0 -64.49 -52.61 57.03 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 171.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.444 ' CD1' HD11 ' A' ' 29' ' ' LEU . 1.5 tt -48.52 -55.46 10.97 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 125.733 1.613 . . . . 0.0 111.35 -174.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.21 -45.25 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.026 0 O-C-N 122.126 -0.359 . . . . 0.0 111.1 -177.18 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -63.33 -53.47 52.16 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 119.186 -0.435 . . . . 0.0 110.617 -177.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . 0.252 0.0 OUTLIER -92.02 -84.88 0.26 Allowed 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 179.139 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.4 mp0 -46.45 -45.2 18.02 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 115.878 1.807 . . . . 0.0 115.878 -168.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.0 mt -62.13 -16.14 50.52 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 120.25 1.386 . . . . 0.0 112.575 -179.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 15.4 m 62.18 57.73 1.95 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.963 0.801 . . . . 0.0 110.946 169.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.8 mm -63.38 -47.64 90.94 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 169.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 52.67 -101.34 0.07 OUTLIER Glycine 0 C--N 1.341 0.847 0 N-CA-C 109.014 -1.634 . . . . 0.0 109.014 -174.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.4 m -151.52 32.02 0.58 Allowed 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.225 0.61 . . . . 0.0 109.441 168.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 39.7 tttt -67.8 -42.75 81.08 Favored 'General case' 0 C--N 1.344 0.357 0 N-CA-C 107.386 -1.338 . . . . 0.0 107.386 175.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.7 tp -83.02 127.11 33.26 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 104.177 -2.527 . . . . 0.0 104.177 165.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -82.94 52.66 2.21 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.154 0.581 . . . . 0.0 110.377 -174.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -152.22 -176.88 5.86 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.535 1.534 . . . . 0.0 107.33 169.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -174.46 -46.43 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 128.423 2.689 . . . . 0.0 106.256 -176.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -64.29 -45.56 87.46 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 124.576 1.15 . . . . 0.0 113.482 -172.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.2 pt -75.27 -38.32 40.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.578 0 CA-C-N 120.885 1.675 . . . . 0.0 109.175 172.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 43.0 t -51.07 -51.25 22.29 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 C-N-CA 123.003 0.521 . . . . 0.0 110.531 -178.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.5 ptpt -67.98 -12.85 61.54 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -174.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 62.5 tp -91.85 -44.72 8.77 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.649 0.78 . . . . 0.0 109.834 171.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 28.2 ttt -72.42 -43.74 63.43 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 122.981 0.512 . . . . 0.0 111.201 -172.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.424 ' CG ' ' HZ2' ' A' ' 35' ' ' LYS . 45.8 p-10 -35.12 -52.26 0.57 Allowed 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 127.243 2.217 . . . . 0.0 114.203 -173.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -51.49 -19.87 1.62 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.113 1.365 . . . . 0.0 113.309 -176.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.5 tt -41.85 -41.34 2.37 Favored 'General case' 0 C--O 1.231 0.129 0 C-N-CA 125.6 1.56 . . . . 0.0 111.263 169.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -52.88 -45.55 67.54 Favored 'General case' 0 C--O 1.227 -0.127 0 O-C-N 122.179 -0.326 . . . . 0.0 110.793 177.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.81 23.0 3.3 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.447 0.699 . . . . 0.0 112.412 178.45 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -26.14 -85.0 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 127.028 2.131 . . . . 0.0 113.552 -169.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.45 44.65 1.14 Allowed 'General case' 0 C--O 1.233 0.225 0 CA-C-N 120.028 1.285 . . . . 0.0 112.16 -177.492 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 61.08 27.93 17.71 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 123.916 0.886 . . . . 0.0 111.094 168.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 10.0 pm0 -74.32 161.77 29.55 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 122.937 0.495 . . . . 0.0 109.761 178.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.33 95.45 6.36 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 106.507 -1.664 . . . . 0.0 106.507 177.283 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.1 t -61.51 114.61 1.34 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 C-N-CA 124.985 1.314 . . . . 0.0 111.995 -167.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -73.36 157.93 36.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 120.961 -1.087 . . . . 0.0 110.284 178.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -50.81 -35.9 34.53 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 119.065 -0.493 . . . . 0.0 109.791 170.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -52.55 -56.17 17.14 Favored 'General case' 0 C--N 1.342 0.265 0 CA-C-N 118.79 0.723 . . . . 0.0 111.692 171.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -63.24 -54.63 34.25 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 -174.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -41.54 -51.38 3.92 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.148 1.379 . . . . 0.0 110.593 170.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -64.03 -46.82 92.79 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 C-N-CA 122.756 0.423 . . . . 0.0 111.414 178.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 54.7 m -58.19 -46.79 85.16 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -175.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -56.39 -62.76 1.5 Allowed 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 125.494 1.517 . . . . 0.0 112.106 173.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.59 -37.06 70.1 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 122.41 1.1 . . . . 0.0 109.013 -177.04 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.66 -30.73 21.28 Favored Glycine 0 CA--C 1.528 0.885 0 C-N-CA 127.56 2.505 . . . . 0.0 113.738 172.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.33 -25.82 67.39 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 120.694 2.247 . . . . 0.0 112.694 175.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -89.76 1.31 56.27 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.658 0.783 . . . . 0.0 110.751 175.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.495 ' HB1' HD11 ' A' ' 88' ' ' LEU . . . -44.77 -76.02 0.03 OUTLIER 'General case' 0 CA--C 1.512 -0.502 0 C-N-CA 125.421 1.488 . . . . 0.0 113.951 -168.643 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 92.5 mtp -64.53 -11.74 37.39 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 119.655 -0.818 . . . . 0.0 112.725 -168.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 59.1 mt -77.75 -64.52 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 169.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . 0.356 0.0 OUTLIER -90.59 26.91 1.87 Allowed 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 114.755 1.391 . . . . 0.0 114.755 -177.67 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.416 HD22 ' C ' ' A' ' 85' ' ' ASN . 0.3 OUTLIER -28.12 -56.96 0.12 Allowed 'General case' 0 CA--C 1.52 -0.201 0 C-N-CA 127.984 2.514 . . . . 0.0 115.749 -167.558 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.3 pm0 -49.77 -31.23 11.07 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 125.731 1.612 . . . . 0.0 114.079 -178.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.56 -17.34 64.5 Favored 'General case' 0 N--CA 1.449 -0.486 0 O-C-N 121.745 -0.597 . . . . 0.0 112.589 177.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.547 HD13 ' CD1' ' B' ' 70' ' ' PHE . 49.7 mt -68.75 -50.87 47.01 Favored 'General case' 0 C--N 1.342 0.244 0 N-CA-C 115.075 1.509 . . . . 0.0 115.075 -166.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.92 ' O ' ' OXT' ' A' ' 90' ' ' GLY 0.267 17.2 pttp -158.17 64.67 0.45 Allowed 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 121.159 1.8 . . . . 0.0 114.748 177.846 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.92 ' OXT' ' O ' ' A' ' 89' ' ' LYS . . . . . . . . 0 C--O 1.27 2.365 0 N-CA-C 111.647 -0.581 . . . . 0.0 111.647 175.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 94.9 mmm . . . . . 0 N--CA 1.451 -0.379 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -167.38 174.07 8.31 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 126.402 1.881 . . . . 0.0 105.971 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.82 173.67 6.77 Favored Pre-proline 0 CA--C 1.539 0.54 0 C-N-CA 123.595 0.758 . . . . 0.0 109.189 -177.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -49.6 -62.37 0.43 Allowed 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 122.715 2.277 . . . . 0.0 114.381 -169.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 85.2 mt -65.94 -50.89 62.79 Favored 'General case' 0 CA--C 1.53 0.173 0 O-C-N 122.097 -0.377 . . . . 0.0 110.95 -173.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.73 -53.49 47.15 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 125.769 1.627 . . . . 0.0 110.643 177.239 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -58.94 -48.49 81.31 Favored 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 122.981 0.512 . . . . 0.0 110.336 176.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.97 -55.31 32.15 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 122.989 0.516 . . . . 0.0 110.727 -179.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 83.2 mt -53.29 -52.0 35.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 C-N-CA 123.934 0.894 . . . . 0.0 109.294 175.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.75 -46.49 13.45 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 123.852 0.739 . . . . 0.0 111.564 174.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 49.7 tp -68.0 -13.26 62.04 Favored 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 121.542 -0.975 . . . . 0.0 113.112 -175.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 mp -89.32 -71.1 0.62 Allowed 'General case' 0 N--CA 1.449 -0.517 0 O-C-N 121.136 -0.978 . . . . 0.0 108.624 167.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.455 HD13 HG21 ' B' ' 13' ' ' ILE . 0.1 OUTLIER -89.4 -33.73 6.33 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.579 0 CA-C-N 114.408 -1.269 . . . . 0.0 112.285 -164.562 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.03 -52.13 52.2 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 108.025 -2.03 . . . . 0.0 108.025 176.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 2.6 tt -64.87 -45.48 94.76 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.453 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.596 ' CE1' ' CE1' ' B' ' 17' ' ' HIS . 0.2 OUTLIER -40.01 -72.71 0.06 Allowed 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 119.503 1.047 . . . . 0.0 109.19 168.246 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . 0.596 ' CE1' ' CE1' ' B' ' 16' ' ' PHE 0.286 26.6 m-70 -82.15 20.01 1.09 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 118.472 -1.291 . . . . 0.0 112.072 -169.281 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -64.07 -43.2 96.19 Favored 'General case' 0 C--N 1.342 0.281 0 N-CA-C 104.046 -2.575 . . . . 0.0 104.046 162.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . 0.52 ' CD2' HD12 ' B' ' 37' ' ' LEU . 86.0 m-85 -77.62 61.36 2.34 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 125.463 1.505 . . . . 0.0 112.897 -168.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.8 p -108.19 -34.36 6.87 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 127.445 2.298 . . . . 0.0 106.911 166.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 79.88 -54.09 4.4 Favored Glycine 0 CA--C 1.526 0.769 0 C-N-CA 124.322 0.963 . . . . 0.0 110.967 171.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.08 -11.75 59.74 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.084 1.354 . . . . 0.0 110.565 171.314 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . 0.304 24.2 mm-40 68.93 -42.16 0.48 Allowed 'General case' 0 C--N 1.34 0.179 0 C-N-CA 127.334 2.254 . . . . 0.0 116.627 171.318 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.61 -48.35 61.26 Favored Glycine 0 CA--C 1.532 1.105 0 N-CA-C 110.056 -1.217 . . . . 0.0 110.056 169.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -83.24 61.78 6.3 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 122.171 0.986 . . . . 0.0 112.1 -169.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -65.56 105.06 1.12 Allowed 'General case' 0 CA--C 1.534 0.347 0 O-C-N 121.485 -0.759 . . . . 0.0 110.755 173.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -161.33 -141.89 0.07 Allowed 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.547 0.739 . . . . 0.0 109.698 178.377 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 5.2 p -52.43 158.58 1.19 Allowed 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 125.791 1.637 . . . . 0.0 110.982 171.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.455 ' H ' HD12 ' B' ' 29' ' ' LEU . 4.2 mp -80.23 95.96 6.45 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 106.002 -1.851 . . . . 0.0 106.002 169.387 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 29.4 m -74.51 65.85 1.32 Allowed 'General case' 0 C--O 1.238 0.498 0 N-CA-C 114.487 1.291 . . . . 0.0 114.487 -168.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 3.1 mttm 66.54 -71.24 0.09 Allowed 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 127.037 2.135 . . . . 0.0 111.619 174.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 17.0 mtmm -56.27 -53.64 54.87 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 124.514 1.126 . . . . 0.0 108.89 -172.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 21.6 mp0 -61.88 -32.68 73.07 Favored 'General case' 0 N--CA 1.438 -1.062 0 C-N-CA 125.493 1.517 . . . . 0.0 109.748 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 12.3 tp -66.86 -46.03 76.29 Favored 'General case' 0 C--N 1.341 0.209 0 O-C-N 120.706 -1.246 . . . . 0.0 109.82 173.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 43.7 mmtt -62.96 -22.35 66.75 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 119.969 -0.693 . . . . 0.0 110.729 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -65.06 -55.72 17.24 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 166.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.52 HD12 ' CD2' ' B' ' 19' ' ' TYR . 8.2 tt -47.9 -52.16 20.45 Favored 'General case' 0 CA--C 1.513 -0.476 0 C-N-CA 125.657 1.583 . . . . 0.0 111.673 -175.068 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 15.4 pt -52.98 -34.24 20.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 O-C-N 123.63 0.581 . . . . 0.0 112.253 -171.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 12.2 tp-100 -64.42 -28.27 69.57 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.912 -0.492 . . . . 0.0 111.544 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -90.83 -76.24 0.44 Allowed 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 124.265 1.026 . . . . 0.0 112.616 -173.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . 0.294 12.0 pt-20 -92.59 -82.4 0.33 Allowed 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 116.915 2.191 . . . . 0.0 116.915 -167.158 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.622 HD12 ' H ' ' B' ' 43' ' ' THR 0.448 1.7 pp -29.16 -94.93 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 118.331 2.715 . . . . 0.0 118.331 -162.781 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . 0.622 ' H ' HD12 ' B' ' 42' ' ' LEU . 14.9 p -75.5 63.92 1.55 Allowed 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 120.351 1.432 . . . . 0.0 110.144 -174.04 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . 0.3 7.5 tt 38.35 59.3 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 CA-C-O 123.824 1.773 . . . . 0.0 110.079 -168.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 56.06 34.52 62.24 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 127.197 2.332 . . . . 0.0 113.452 -175.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 57.9 p 43.66 60.89 2.47 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 125.444 1.498 . . . . 0.0 113.303 -174.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 3.2 pttm -147.52 -69.42 0.24 Allowed 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.276 173.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 31.8 tp -69.56 94.21 0.75 Allowed 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.615 -0.678 . . . . 0.0 110.42 -171.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 82.51 22.27 0.22 Allowed 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 127.56 2.344 . . . . 0.0 112.214 -176.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -106.47 168.61 9.05 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 106.036 -1.839 . . . . 0.0 106.036 167.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -166.31 168.81 14.75 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.719 -0.613 . . . . 0.0 109.94 -172.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.41 -45.71 82.9 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 173.242 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 48.3 pt -59.0 -30.12 42.73 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 C-N-CA 123.119 0.568 . . . . 0.0 112.162 174.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 64.4 t -76.93 -52.03 17.67 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.264 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 174.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.18 -37.32 66.9 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 118.781 0.719 . . . . 0.0 111.248 -179.689 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -43.39 -40.58 3.76 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.828 0.851 . . . . 0.0 110.646 171.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 48.9 mtt -86.99 -58.27 2.65 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.713 0.805 . . . . 0.0 110.94 174.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.52 ' C ' ' H ' ' B' ' 60' ' ' LEU . 36.8 t70 -70.74 -4.89 26.1 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 127.173 2.189 . . . . 0.0 116.022 -168.289 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -68.58 26.35 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 161.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.52 ' H ' ' C ' ' B' ' 58' ' ' ASP . 3.6 pp -64.17 -5.97 5.82 Favored 'General case' 0 C--N 1.346 0.445 0 C-N-CA 126.471 1.908 . . . . 0.0 112.681 -168.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -52.77 -24.57 9.1 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 121.965 0.888 . . . . 0.0 109.959 163.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 30.9 ttm180 -48.55 -21.19 0.53 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.973 2.109 . . . . 0.0 112.456 167.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -27.77 -54.0 0.09 Allowed 'General case' 0 C--N 1.34 0.153 0 C-N-CA 129.503 3.121 . . . . 0.0 113.386 175.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 18.4 pttm -134.71 -49.64 0.77 Allowed 'General case' 0 CA--C 1.537 0.469 0 O-C-N 123.195 0.31 . . . . 0.0 111.441 -175.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 50.2 p30 -159.47 0.09 0.08 Allowed 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 -168.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 61.63 12.56 4.63 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 -171.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -86.79 79.25 8.88 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 105.843 -1.91 . . . . 0.0 105.843 168.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 55.9 t -66.69 127.55 28.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.295 -169.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -98.78 174.47 6.38 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.832 1.253 . . . . 0.0 108.988 168.107 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.547 ' CD1' HD13 ' A' ' 88' ' ' LEU . 0.7 OUTLIER -50.52 -47.52 57.46 Favored 'General case' 0 C--N 1.341 0.208 0 CA-C-O 119.3 -0.381 . . . . 0.0 111.869 -179.757 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -51.73 64.6 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.255 0.55 . . . . 0.0 110.005 -175.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -60.33 -52.4 65.44 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.56 0.744 . . . . 0.0 110.145 179.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -47.89 -60.83 2.3 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 124.531 1.132 . . . . 0.0 110.413 177.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 10.3 tp -64.45 -43.1 96.93 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 -174.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 29.2 m -51.92 -59.08 4.74 Favored 'General case' 0 C--N 1.34 0.192 0 C-N-CA 122.712 0.405 . . . . 0.0 110.569 178.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -72.1 -37.47 69.53 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 119.61 -0.836 . . . . 0.0 111.553 -173.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . 0.255 0.4 OUTLIER -54.75 -34.41 62.51 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 119.502 -0.879 . . . . 0.0 111.216 171.076 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.14 -37.25 16.74 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 124.63 1.109 . . . . 0.0 114.239 169.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -41.74 -67.29 0.27 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 119.043 1.422 . . . . 0.0 114.233 -169.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 19.2 mt -90.12 5.05 48.5 Favored 'General case' 0 C--N 1.333 -0.139 0 O-C-N 122.13 -0.357 . . . . 0.0 111.861 179.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.76 -46.33 70.91 Favored 'General case' 0 CA--C 1.516 -0.344 0 C-N-CA 123.507 0.723 . . . . 0.0 110.818 -172.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 29.7 ttp -58.95 -31.29 68.57 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.648 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 27.8 mm -79.69 -57.09 5.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 C-N-CA 123.998 0.919 . . . . 0.0 108.989 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -75.72 22.57 0.14 Allowed 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 118.272 -0.871 . . . . 0.0 112.838 -176.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . 0.57 ' O ' HD22 ' B' ' 88' ' ' LEU . 0.2 OUTLIER -16.82 -101.68 0.0 OUTLIER 'General case' 0 C--O 1.235 0.31 0 C-N-CA 126.444 1.897 . . . . 0.0 114.812 -157.182 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.98 ' OE1' ' OXT' ' B' ' 90' ' ' GLY 0.261 7.1 tp10 -62.19 123.75 19.0 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 120.938 1.699 . . . . 0.0 110.022 -169.21 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . 136.36 -28.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 1 C-N-CA 132.426 4.29 . . . . 0.0 106.62 -167.22 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.57 HD22 ' O ' ' B' ' 85' ' ' ASN . 1.0 OUTLIER -69.95 -23.57 63.21 Favored 'General case' 0 N--CA 1.445 -0.681 0 O-C-N 121.697 -0.627 . . . . 0.0 111.627 -179.177 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -117.3 -48.28 2.62 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 124.61 1.164 . . . . 0.0 110.057 175.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . 0.98 ' OXT' ' OE1' ' B' ' 86' ' ' GLU . . . . . . . . 0 C--O 1.27 2.391 0 N-CA-C 110.061 -1.216 . . . . 0.0 110.061 177.652 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.7 mtp . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.32 -35.95 10.55 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.911 0.884 . . . . 0.0 108.642 167.87 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.0 p -162.68 160.11 19.79 Favored Pre-proline 0 CA--C 1.535 0.372 0 C-N-CA 125.029 1.332 . . . . 0.0 109.801 179.025 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -55.78 -35.46 93.59 Favored 'Trans proline' 0 N--CA 1.455 -0.769 0 C-N-CA 121.455 1.437 . . . . 0.0 109.953 168.504 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 tt -56.24 -62.82 1.45 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.831 0.852 . . . . 0.0 110.268 174.37 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 1.015 ' OD2' ' OXT' ' B' ' 90' ' ' GLY . 0.0 OUTLIER -55.59 -44.88 77.37 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 118.533 0.606 . . . . 0.0 110.207 -177.403 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -57.57 -44.92 85.67 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 121.254 -0.178 . . . . 0.0 111.083 177.146 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.3 -44.77 88.7 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 118.361 0.528 . . . . 0.0 111.142 176.032 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.636 ' CG2' HD13 ' B' ' 88' ' ' LEU . 39.4 mm -57.97 -43.16 84.27 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 O-C-N 121.895 -0.503 . . . . 0.0 109.732 174.04 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.63 -50.46 36.53 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 169.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 88.2 mt -57.18 -44.78 83.89 Favored 'General case' 0 CA--C 1.531 0.218 0 O-C-N 121.622 -0.928 . . . . 0.0 110.729 175.743 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.6 -43.93 93.57 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.838 1.199 . . . . 0.0 111.777 177.165 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.0 mm -56.34 -43.42 77.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 172.049 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -52.62 -63.13 5.2 Favored Glycine 0 CA--C 1.528 0.877 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 173.014 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.9 mm -45.87 -49.43 4.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 C-N-CA 124.62 1.168 . . . . 0.0 110.626 -176.574 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.402 ' CZ ' ' CE1' ' A' ' 17' ' ' HIS . 35.7 t80 -53.45 -81.56 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 127.025 2.13 . . . . 0.0 110.835 169.439 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.405 ' ND1' ' OD2' ' A' ' 25' ' ' ASP . 1.9 m-70 -72.2 5.87 2.55 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 115.723 1.749 . . . . 0.0 115.723 -169.608 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -61.89 -41.21 97.61 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 165.196 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -74.15 157.47 35.92 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.583 -178.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.408 ' HB2' ' CB ' ' A' ' 25' ' ' ASP . 72.9 m 56.0 31.72 18.53 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 121.474 0.654 . . . . 0.0 110.056 -169.217 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -77.01 55.01 3.51 Favored Glycine 0 C--N 1.34 0.795 0 C-N-CA 126.06 1.79 . . . . 0.0 108.916 169.922 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -123.86 -63.88 1.18 Allowed 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 105.967 -1.864 . . . . 0.0 105.967 172.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.15 -30.09 54.9 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 121.909 0.861 . . . . 0.0 110.306 168.358 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.77 58.29 1.43 Allowed Glycine 0 C--N 1.332 0.33 0 N-CA-C 108.69 -1.764 . . . . 0.0 108.69 178.488 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.408 ' CB ' ' HB2' ' A' ' 20' ' ' SER . 2.1 t0 -32.82 108.95 0.06 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 127.119 2.167 . . . . 0.0 114.872 -171.728 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -99.91 26.56 6.23 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.478 1.111 . . . . 0.0 110.373 174.04 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.402 ' ND1' ' OD1' ' A' ' 25' ' ' ASP . 0.1 OUTLIER -156.0 -111.08 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 119.328 0.967 . . . . 0.0 112.44 -166.983 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.3 p -95.41 144.86 25.58 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 126.485 1.914 . . . . 0.0 109.369 173.005 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.3 tt -73.92 128.36 35.32 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 126.488 1.915 . . . . 0.0 107.673 176.417 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.0 m -77.61 68.64 3.73 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 114.549 1.315 . . . . 0.0 114.549 -168.473 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp 42.53 -74.91 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 128.25 2.62 . . . . 0.0 115.818 165.337 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -25.43 61.36 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.468 1.107 . . . . 0.0 111.283 175.066 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -73.87 -22.28 59.79 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.115 -0.991 . . . . 0.0 112.13 172.469 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.4 ' O ' HD13 ' A' ' 34' ' ' LEU . 0.5 OUTLIER -65.14 -33.93 77.19 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.416 -0.803 . . . . 0.0 109.416 177.607 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.6 mmtm -52.12 -50.14 62.29 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.939 -0.476 . . . . 0.0 112.107 177.531 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 23.6 mp0 -52.58 -55.93 18.84 Favored 'General case' 0 N--CA 1.451 -0.407 0 O-C-N 121.816 -0.553 . . . . 0.0 111.627 171.477 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.86 -61.93 1.71 Allowed 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 124.271 1.028 . . . . 0.0 110.416 -177.141 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.1 tp -60.29 -47.12 93.6 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 123.413 0.685 . . . . 0.0 111.584 -169.42 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -63.0 -53.01 60.66 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 178.375 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.0 mtmp? -78.51 -71.08 0.45 Allowed 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 113.809 1.041 . . . . 0.0 113.809 -168.731 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -84.45 -99.51 0.06 Allowed 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 -167.38 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . 0.305 3.3 pp -30.71 -52.4 0.17 Allowed 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 116.846 2.165 . . . . 0.0 116.846 -164.873 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.2 p -59.11 105.38 0.32 Allowed 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.068 0.547 . . . . 0.0 111.959 -168.896 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.9 pt 43.14 40.06 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 C-N-CA 124.472 1.109 . . . . 0.0 112.573 -171.506 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 49.78 -131.94 27.4 Favored Glycine 0 CA--C 1.533 1.162 0 CA-C-N 115.172 -0.922 . . . . 0.0 112.475 179.096 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.9 m -69.44 34.97 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 117.307 2.336 . . . . 0.0 117.307 -167.915 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 67.36 100.21 0.05 OUTLIER 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.871 1.268 . . . . 0.0 113.576 168.686 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.9 tt -79.01 62.9 3.55 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 168.331 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.0 tp60 67.4 -6.13 0.67 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.593 1.957 . . . . 0.0 113.846 -177.539 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -80.11 -178.01 6.33 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.62 1.168 . . . . 0.0 112.159 -177.639 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . 0.253 . . 101.29 33.29 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 129.379 3.072 . . . . 0.0 113.905 169.411 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.497 ' CD ' ' H ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -90.79 -106.16 0.1 Allowed 'General case' 0 N--CA 1.438 -1.046 0 C-N-CA 128.573 2.749 . . . . 0.0 103.784 165.926 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -91.29 -26.45 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.979 0 C-N-CA 124.262 1.025 . . . . 0.0 112.692 175.053 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.9 t -64.4 -36.87 78.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-N 120.826 1.648 . . . . 0.0 110.889 -168.631 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.56 -12.66 58.83 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.219 -0.926 . . . . 0.0 112.695 176.435 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.0 tp -65.93 -20.2 66.13 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.054 -1.029 . . . . 0.0 110.404 169.33 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 53.4 ttp -63.7 -60.14 3.69 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 168.537 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.416 ' C ' ' H ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -57.34 -23.75 50.86 Favored 'General case' 0 CA--C 1.52 -0.177 0 C-N-CA 126.938 2.095 . . . . 0.0 113.238 -179.728 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -63.48 9.25 0.06 Allowed 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 122.952 0.501 . . . . 0.0 111.312 167.014 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.416 ' H ' ' C ' ' A' ' 58' ' ' ASP . 1.6 tm? -37.13 -34.61 0.08 Allowed 'General case' 0 C--N 1.347 0.461 1 C-N-CA 132.282 4.233 . . . . 0.0 110.336 163.86 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -34.17 -29.43 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 127.184 2.194 . . . . 0.0 112.76 166.41 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.3 mtm105 -43.41 -21.16 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 168.305 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -28.56 -49.34 0.07 Allowed 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 127.803 2.441 . . . . 0.0 112.995 169.909 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? -130.13 67.46 1.47 Allowed 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 168.819 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.277 3.1 p-10 28.32 47.86 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 128.211 2.604 . . . . 0.0 114.189 173.792 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 55.04 30.32 14.02 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 126.328 1.851 . . . . 0.0 112.921 173.48 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.63 59.29 1.95 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.982 1.313 . . . . 0.0 107.925 175.321 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 53.1 t -84.9 132.12 32.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 N-CA-C 113.296 0.851 . . . . 0.0 113.296 -166.091 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -120.42 178.72 4.55 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 105.105 -2.183 . . . . 0.0 105.105 164.757 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -54.04 -41.27 67.9 Favored 'General case' 0 CA--C 1.53 0.207 0 O-C-N 121.301 -0.874 . . . . 0.0 111.0 -173.88 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.42 -52.44 64.64 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 119.379 -0.343 . . . . 0.0 110.487 178.434 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -64.29 -47.45 79.45 Favored 'General case' 0 CA--C 1.522 -0.125 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 -174.745 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -48.47 -61.41 2.03 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.023 0.929 . . . . 0.0 109.443 175.625 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.7 tp -68.32 -40.76 82.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-O 119.37 -0.347 . . . . 0.0 110.577 -172.655 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.5 m -49.85 -60.31 3.02 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 124.37 1.068 . . . . 0.0 109.886 173.638 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . 0.254 0.1 OUTLIER -60.56 -44.05 96.58 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.064 -177.064 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -46.61 -51.49 15.65 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 118.904 0.775 . . . . 0.0 111.075 170.551 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.59 -53.88 41.62 Favored Glycine 0 CA--C 1.525 0.719 0 C-N-CA 124.384 0.992 . . . . 0.0 111.122 -179.922 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.9 -53.28 57.51 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.055 0.542 . . . . 0.0 110.784 179.476 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.7 mp -54.94 -49.56 71.04 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.542 0.737 . . . . 0.0 110.58 177.212 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.53 -44.47 76.71 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 122.862 0.465 . . . . 0.0 110.194 178.473 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 7.8 ttt -56.9 -22.45 37.39 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 177.642 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 41.4 mm -90.81 -74.43 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 123.718 0.807 . . . . 0.0 109.876 169.266 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . 0.252 1.2 p90 -62.7 -26.76 68.83 Favored 'General case' 0 CA--C 1.536 0.426 0 O-C-N 120.938 -1.101 . . . . 0.0 113.76 -168.637 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -91.54 27.52 1.97 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.011 1.724 . . . . 0.0 111.47 174.528 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -13.51 -58.52 0.0 OUTLIER 'General case' 0 C--N 1.345 0.395 0 C-N-CA 129.668 3.187 . . . . 0.0 116.297 -167.883 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -32.35 -42.41 0.07 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 126.17 1.788 . . . . 0.0 113.079 174.896 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -31.12 -46.38 0.09 Allowed 'General case' 0 C--N 1.342 0.253 0 C-N-CA 126.458 1.903 . . . . 0.0 113.983 171.717 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.9 mtmm -64.09 -35.26 80.18 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 121.659 -0.651 . . . . 0.0 111.999 -174.715 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.411 0 C-N-CA 125.182 1.372 . . . . 0.0 110.08 178.695 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 96.5 mmm . . . . . 0 N--CA 1.451 -0.419 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.67 -169.59 1.59 Allowed 'General case' 0 C--O 1.236 0.345 0 N-CA-C 106.376 -1.713 . . . . 0.0 106.376 179.182 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.36 170.47 15.52 Favored Pre-proline 0 CA--C 1.537 0.449 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.599 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -46.46 -65.9 0.17 Allowed 'Trans proline' 0 CA--C 1.54 0.811 0 C-N-CA 123.254 2.636 . . . . 0.0 115.137 -169.53 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 96.6 mt -64.21 -53.23 52.48 Favored 'General case' 0 CA--C 1.53 0.192 0 O-C-N 121.937 -0.477 . . . . 0.0 110.741 -172.588 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.19 -53.92 18.93 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 126.283 1.833 . . . . 0.0 110.709 176.095 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -56.14 -52.42 64.41 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.759 0.824 . . . . 0.0 110.042 177.02 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.0 -48.45 79.99 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 118.122 0.419 . . . . 0.0 111.629 -177.924 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 72.6 mt -55.7 -53.72 34.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 176.478 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.05 -51.33 25.41 Favored Glycine 0 CA--C 1.528 0.863 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 176.683 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 81.3 mt -63.0 -43.86 97.61 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 118.753 -0.641 . . . . 0.0 111.083 -179.417 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 48.5 mt -57.98 -46.65 84.84 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 120.01 1.277 . . . . 0.0 110.872 177.688 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 67.5 mt -61.74 -41.33 90.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 175.61 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.4 -61.37 7.06 Favored Glycine 0 CA--C 1.526 0.737 0 C-N-CA 124.262 0.934 . . . . 0.0 110.843 174.537 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 20.6 mm -57.26 -35.23 47.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 118.088 0.944 . . . . 0.0 110.718 -179.435 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -58.26 -82.87 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.747 0.703 . . . . 0.0 109.137 168.211 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . 0.318 0.5 OUTLIER -70.46 -5.79 31.17 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 116.53 2.048 . . . . 0.0 116.53 -168.343 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -57.42 -39.89 77.16 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 119.715 1.143 . . . . 0.0 108.555 167.435 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -83.52 58.96 4.83 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 122.347 1.07 . . . . 0.0 110.389 175.384 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.3 m -138.03 53.97 1.81 Allowed 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 104.025 -2.583 . . . . 0.0 104.025 168.65 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.94 -48.6 3.81 Favored Glycine 0 C--N 1.337 0.586 0 N-CA-C 109.979 -1.248 . . . . 0.0 109.979 -168.211 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.39 -48.84 12.3 Favored 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 179.153 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.66 -81.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 124.754 1.221 . . . . 0.0 108.763 167.439 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 57.03 58.32 15.17 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 109.185 -1.566 . . . . 0.0 109.185 -176.499 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -54.06 153.37 5.04 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.056 -0.572 . . . . 0.0 111.986 -169.777 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 9.1 pttm -42.47 61.06 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 131.469 3.908 . . . . 0.0 116.547 -168.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 6.0 p80 179.32 -45.3 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 125.185 1.394 . . . . 0.0 111.25 -175.858 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 34.6 p -137.43 152.59 49.76 Favored 'General case' 0 C--N 1.34 0.177 0 CA-C-N 118.797 0.726 . . . . 0.0 112.72 -168.765 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 27.0 mt -83.88 111.44 19.23 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 105.437 -2.06 . . . . 0.0 105.437 168.288 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 57.6 p -84.98 81.83 8.72 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -168.153 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 17.4 mttm 64.54 -77.1 0.04 OUTLIER 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 125.619 1.567 . . . . 0.0 115.022 167.881 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.492 ' H ' ' HD3' ' B' ' 32' ' ' LYS . 0.0 OUTLIER -67.56 -42.33 82.78 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 -176.36 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -53.58 -39.0 64.48 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 172.67 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -68.34 -59.25 3.33 Favored 'General case' 0 C--N 1.343 0.318 0 O-C-N 121.224 -0.923 . . . . 0.0 108.949 177.796 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . 0.415 ' HZ3' ' CG ' ' B' ' 61' ' ' ASP . 2.4 tppt? -60.85 -27.38 68.05 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.523 -0.735 . . . . 0.0 111.572 -171.918 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -54.22 -47.46 72.14 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 119.267 0.94 . . . . 0.0 111.64 168.612 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.7 tt -55.59 -63.38 1.19 Allowed 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 126.138 1.775 . . . . 0.0 110.154 -176.426 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . 0.255 1.4 pp -33.4 -46.97 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.187 0 C-N-CA 125.947 1.699 . . . . 0.0 115.442 -166.394 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -45.86 -59.3 2.89 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.368 0.667 . . . . 0.0 111.655 -179.207 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -94.5 -78.02 0.45 Allowed 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 -168.344 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -65.68 -3.72 5.21 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 116.724 2.12 . . . . 0.0 116.724 -164.249 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 76.2 mt -90.69 5.71 47.02 Favored 'General case' 0 C--O 1.225 -0.196 0 CA-C-N 119.404 1.002 . . . . 0.0 112.055 169.94 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 78.75 -34.44 0.16 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 120.711 1.596 . . . . 0.0 112.555 177.334 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 16.0 pt -53.09 -15.04 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 C-N-CA 126.464 1.906 . . . . 0.0 114.451 -176.483 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 57.51 54.17 39.31 Favored Glycine 0 C--N 1.337 0.627 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 173.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 6.3 m 52.07 38.73 24.87 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.352 0.661 . . . . 0.0 111.951 -177.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 15.5 mmtm 64.95 2.85 1.89 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.088 1.755 . . . . 0.0 113.464 -176.663 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 68.6 mt 59.23 -72.49 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.843 2.057 . . . . 0.0 112.624 -176.751 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -102.15 -56.28 2.3 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 126.574 1.95 . . . . 0.0 109.21 -177.505 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -74.91 63.63 1.22 Allowed 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 125.362 1.465 . . . . 0.0 112.841 -167.671 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -128.04 39.86 3.77 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.969 0.908 . . . . 0.0 111.291 174.269 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.46 77.01 7.27 Favored 'General case' 0 N--CA 1.449 -0.481 1 N-CA-C 98.214 -4.736 . . . . 0.0 98.214 162.763 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 28.1 pt -22.47 23.85 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.546 2 C-N-CA 136.873 6.069 . . . . 0.0 122.215 -160.541 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 96.5 t -90.36 -54.92 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 106.053 -1.832 . . . . 0.0 106.053 174.177 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 11.3 mttp -59.47 -28.55 67.1 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.625 177.461 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 6.8 tt -71.55 -44.74 64.03 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.701 1.2 . . . . 0.0 110.6 174.032 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 58.5 ttp -55.22 -47.88 74.68 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.092 -1.005 . . . . 0.0 108.971 172.764 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -74.62 19.13 0.14 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 127.509 2.324 . . . . 0.0 115.62 -172.742 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . 0.349 18.3 m-20 -61.74 41.31 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 129.834 3.254 . . . . 0.0 113.015 164.416 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 pp -11.41 24.25 0.0 OUTLIER 'General case' 0 C--N 1.344 0.35 1 C-N-CA 139.519 7.128 . . . . 0.0 121.455 -157.504 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.415 ' CG ' ' HZ3' ' B' ' 35' ' ' LYS . 24.9 p-10 -55.35 -35.79 65.59 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 104.961 -2.237 . . . . 0.0 104.961 157.434 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 1.6 ppt_? -64.33 -5.7 5.63 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 177.933 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -59.5 -38.14 80.11 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.955 0.798 . . . . 0.0 110.74 169.34 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -143.05 72.92 1.38 Allowed 'General case' 0 C--O 1.239 0.523 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -174.176 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 28.5 t0 53.91 21.54 2.87 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 127.32 2.248 . . . . 0.0 113.078 169.807 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 49.68 24.81 1.29 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.211 1.004 . . . . 0.0 113.256 -176.402 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -90.0 74.13 7.29 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 106.202 -1.777 . . . . 0.0 106.202 169.683 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 22.3 t -77.06 112.14 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 C-N-CA 119.952 -0.699 . . . . 0.0 109.822 -168.868 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -67.51 159.6 29.36 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 126.48 1.912 . . . . 0.0 109.17 171.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -58.85 -43.31 90.74 Favored 'General case' 0 C--O 1.227 -0.127 0 O-C-N 121.626 -0.671 . . . . 0.0 109.873 177.071 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -52.24 -56.21 16.2 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-O 119.473 -0.299 . . . . 0.0 110.324 174.151 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -57.38 -51.74 68.19 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 122.903 0.481 . . . . 0.0 110.813 -178.525 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -48.49 -50.07 33.11 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 125.059 1.343 . . . . 0.0 109.934 175.677 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 22.5 mm -67.68 -42.3 86.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 CA-C-O 118.411 -0.804 . . . . 0.0 111.885 179.183 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 77.9 m -57.03 -49.93 74.29 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 120.592 1.542 . . . . 0.0 110.219 177.316 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -53.52 -58.52 6.85 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 125.641 1.576 . . . . 0.0 110.633 175.165 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 15.4 mt -51.41 -48.21 62.71 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 117.726 0.239 . . . . 0.0 110.666 175.461 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.36 -51.43 21.27 Favored Glycine 0 CA--C 1.529 0.944 0 C-N-CA 125.711 1.624 . . . . 0.0 113.534 172.623 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.01 -54.8 43.02 Favored 'General case' 0 CA--C 1.531 0.213 0 O-C-N 121.783 -0.833 . . . . 0.0 109.513 177.505 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -52.71 -38.83 61.35 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 122.488 0.315 . . . . 0.0 111.038 176.261 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.444 ' HB1' HD11 ' B' ' 88' ' ' LEU . . . -68.13 -41.29 81.88 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 125.766 1.626 . . . . 0.0 111.628 -178.061 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 1.4 tmm? -74.64 -21.06 59.64 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.407 -0.808 . . . . 0.0 111.225 174.267 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 86.0 mt -73.0 -71.59 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 CA-C-N 118.888 0.767 . . . . 0.0 109.923 169.932 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . 0.253 0.7 OUTLIER -74.25 26.51 0.08 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.895 1.278 . . . . 0.0 113.799 -177.996 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -50.79 -9.78 0.06 Allowed 'General case' 0 C--O 1.235 0.326 0 N-CA-C 117.796 2.517 . . . . 0.0 117.796 -167.791 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -72.89 -29.65 63.32 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 120.708 -1.245 . . . . 0.0 109.749 173.519 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.58 -46.68 87.19 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 169.095 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.636 HD13 ' CG2' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -58.23 -40.98 83.1 Favored 'General case' 0 C--O 1.227 -0.103 0 O-C-N 121.9 -0.5 . . . . 0.0 110.435 178.948 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -87.87 22.45 2.33 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 175.326 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . 1.015 ' OXT' ' OD2' ' A' ' 6' ' ' ASP . . . . . . . . 0 C--O 1.269 2.343 0 CA-C-N 119.085 0.857 . . . . 0.0 111.016 179.001 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.8 mtm . . . . . 0 CA--C 1.535 0.391 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 96.28 30.36 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 129.688 3.195 . . . . 0.0 109.609 -169.503 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.43 167.7 33.58 Favored Pre-proline 0 CA--C 1.534 0.339 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 169.349 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -51.01 -46.67 29.57 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 122.603 2.202 . . . . 0.0 114.177 -173.376 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.0 mp -65.83 -57.8 7.08 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.888 0.875 . . . . 0.0 110.353 -175.839 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.53 -43.76 68.64 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.087 0.955 . . . . 0.0 110.293 175.461 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.56 -43.96 76.37 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.701 0.8 . . . . 0.0 111.075 171.742 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.55 -44.7 89.93 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 119.086 0.857 . . . . 0.0 110.682 179.899 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.8 mm -54.03 -45.66 65.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 170.538 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.18 -52.31 18.08 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 124.807 1.194 . . . . 0.0 112.156 170.509 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.8 mt -54.57 -53.7 51.12 Favored 'General case' 0 C--N 1.338 0.079 0 CA-C-N 118.443 1.121 . . . . 0.0 110.146 177.589 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -54.58 -46.49 73.73 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 118.176 0.444 . . . . 0.0 110.937 178.467 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.4 mt -59.74 -36.19 64.42 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.173 0 C-N-CA 124.596 1.158 . . . . 0.0 111.418 176.868 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.44 -65.98 2.4 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 110.26 -1.136 . . . . 0.0 110.26 175.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.4 mm -44.67 -41.66 2.16 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.133 0 C-N-CA 127.081 2.152 . . . . 0.0 111.148 -178.123 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.407 ' HE2' HD13 ' B' ' 88' ' ' LEU . 0.7 OUTLIER -28.73 -62.36 0.11 Allowed 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.288 1.835 . . . . 0.0 113.669 176.985 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -92.79 9.21 36.15 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 -173.933 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.1 tptp -63.27 -44.82 94.0 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 120.095 1.316 . . . . 0.0 109.479 173.897 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -56.82 125.0 20.48 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 123.927 0.891 . . . . 0.0 108.76 -175.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.8 p 152.47 -12.06 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 127.643 2.377 . . . . 0.0 112.148 -168.047 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.16 -69.05 2.78 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 105.474 -3.05 . . . . 0.0 105.474 -165.637 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.95 104.03 9.82 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 126.241 1.816 . . . . 0.0 110.465 178.323 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.607 ' CD ' ' H ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -74.3 -50.67 17.89 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 127.652 2.381 . . . . 0.0 114.65 -172.47 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 51.97 35.0 39.45 Favored Glycine 0 CA--C 1.534 1.229 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 -168.457 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.8 t0 35.31 45.67 0.22 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 128.493 2.717 . . . . 0.0 113.918 -168.63 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.9 tttm -67.12 108.38 2.64 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.169 0.988 . . . . 0.0 109.718 173.386 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -74.57 38.31 0.12 Allowed 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 114.419 1.266 . . . . 0.0 114.419 -173.107 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 63.8 p -153.56 139.79 18.47 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 124.617 1.167 . . . . 0.0 108.276 176.104 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 65.8 mt -98.05 100.3 11.62 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 168.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.3 m -78.95 60.96 3.03 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.249 -0.907 . . . . 0.0 111.188 -176.757 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? 62.98 -66.33 0.09 Allowed 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 127.355 2.262 . . . . 0.0 112.979 179.144 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.5 pttm -55.06 -45.96 75.34 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 119.054 0.843 . . . . 0.0 111.04 -175.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -50.31 -40.4 48.59 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 118.855 0.752 . . . . 0.0 112.166 171.882 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 tt -64.4 -21.28 66.59 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.604 -0.685 . . . . 0.0 111.245 -178.8 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.89 -41.93 75.19 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.379 -0.825 . . . . 0.0 109.552 170.414 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 59.0 tt0 -57.22 -41.55 79.71 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-O 121.445 0.64 . . . . 0.0 109.572 176.364 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 tt -58.96 -74.39 0.07 Allowed 'General case' 0 N--CA 1.439 -1.024 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.375 -171.307 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.591 ' HA ' ' HB3' ' A' ' 41' ' ' GLU . 28.6 pt -46.33 -11.65 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.556 1.191 0 N-CA-C 117.105 2.261 . . . . 0.0 117.105 -166.649 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -92.38 -53.81 4.06 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 121.149 1.795 . . . . 0.0 112.965 169.796 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.54 33.53 0.91 Allowed 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 128.732 2.813 . . . . 0.0 107.943 176.84 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.591 ' HB3' ' HA ' ' A' ' 38' ' ' ILE . 1.0 OUTLIER -64.55 -111.98 0.0 OUTLIER 'General case' 0 N--CA 1.432 -1.333 1 N-CA-C 126.118 5.599 . . . . 0.0 126.118 -153.78 . . . . . . . . 4 4 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.437 ' HG ' ' HB2' ' A' ' 41' ' ' GLU . 43.7 mt -96.45 -59.42 1.83 Allowed 'General case' 0 N--CA 1.436 -1.162 0 C-N-CA 127.653 2.381 . . . . 0.0 110.184 -163.216 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.0 m -161.55 -67.04 0.06 Allowed 'General case' 0 C--O 1.228 -0.056 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 175.128 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 34.3 pt -141.68 42.87 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 125.679 1.592 . . . . 0.0 110.417 172.097 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -58.23 -35.63 78.98 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 108.163 -1.975 . . . . 0.0 108.163 168.613 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.6 m -65.41 98.99 0.38 Allowed 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 124.177 0.991 . . . . 0.0 109.969 168.908 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 28.2 mtmm -75.09 64.63 1.4 Allowed 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 127.105 2.162 . . . . 0.0 108.465 174.806 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.0 tm? 73.53 -64.85 0.38 Allowed 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 127.592 2.357 . . . . 0.0 111.274 172.62 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -147.19 42.89 1.12 Allowed 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.74 0.816 . . . . 0.0 109.24 -174.873 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.6 p-10 -77.62 117.94 19.53 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 123.847 0.859 . . . . 0.0 109.747 175.603 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.36 158.73 5.29 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.607 174.706 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -49.62 -41.18 41.62 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 121.201 0.524 . . . . 0.0 110.371 173.012 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 88.0 mt -52.33 -40.42 31.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 124.388 1.075 . . . . 0.0 110.911 174.483 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 92.7 t -81.42 -45.34 20.62 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.302 0 O-C-N 121.95 -0.469 . . . . 0.0 110.035 179.725 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -51.01 -37.74 46.96 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 126.183 1.793 . . . . 0.0 111.145 177.218 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.7 tp -47.23 -42.93 21.32 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 118.701 -0.666 . . . . 0.0 110.174 173.252 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 44.2 ttm -52.75 -49.44 65.49 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.309 0.644 . . . . 0.0 111.168 -179.72 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -56.86 -35.44 68.88 Favored 'General case' 0 CA--C 1.516 -0.328 0 C-N-CA 123.128 0.571 . . . . 0.0 111.594 176.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -63.97 -15.83 60.16 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 118.718 -0.658 . . . . 0.0 112.72 178.418 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.511 ' C ' ' H ' ' A' ' 62' ' ' ARG 0.313 37.7 mt -72.57 7.84 1.7 Allowed 'General case' 0 C--N 1.341 0.217 0 N-CA-C 118.339 2.718 . . . . 0.0 118.339 -167.18 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.413 ' OD1' ' NZ ' ' A' ' 64' ' ' LYS . 4.2 p-10 -65.18 -10.52 31.99 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 118.338 -1.345 . . . . 0.0 107.429 156.917 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.511 ' H ' ' C ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -14.03 28.07 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.697 1 C-N-CA 137.519 6.328 . . . . 0.0 121.209 -164.952 . . . . . . . . 4 4 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -53.81 -11.57 0.42 Allowed 'General case' 0 CA--C 1.539 0.556 0 O-C-N 120.83 -1.169 . . . . 0.0 113.5 174.599 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.413 ' NZ ' ' OD1' ' A' ' 61' ' ' ASP . 16.5 mttt -46.1 -14.26 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 128.619 2.767 . . . . 0.0 112.434 165.295 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -42.08 -53.29 4.01 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 165.192 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -80.53 144.02 32.81 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 168.089 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -49.29 134.57 18.25 Favored 'General case' 0 C--O 1.232 0.18 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -169.648 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 23.1 t -76.06 83.48 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 CA-C-O 122.078 0.942 . . . . 0.0 110.348 -169.128 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 -74.55 166.79 22.95 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 106.861 -1.533 . . . . 0.0 106.861 166.528 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -50.81 -45.22 59.28 Favored 'General case' 0 C--O 1.222 -0.388 0 O-C-N 121.784 -0.573 . . . . 0.0 109.688 -179.662 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -42.0 -42.66 2.91 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.679 1.192 . . . . 0.0 112.445 175.132 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -87.54 -44.21 11.44 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 119.176 0.898 . . . . 0.0 111.312 -170.886 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -49.02 -41.91 36.38 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 167.401 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 12.8 mm -64.83 -53.55 40.45 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 CA-C-O 117.082 -1.437 . . . . 0.0 112.125 173.651 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 37.5 m -41.59 -52.94 3.65 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 121.304 1.865 . . . . 0.0 110.115 178.162 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -57.63 -55.91 28.68 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 125.733 1.613 . . . . 0.0 112.051 176.552 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.7 mt -49.88 -48.77 51.2 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.28 0.491 . . . . 0.0 110.648 176.565 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.87 -47.22 80.6 Favored Glycine 0 CA--C 1.526 0.729 0 C-N-CA 125.509 1.528 . . . . 0.0 111.463 178.666 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.63 -51.21 57.52 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 122.647 0.379 . . . . 0.0 110.953 176.758 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.5 mp -69.97 -47.8 60.83 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 122.19 -0.319 . . . . 0.0 111.598 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -38.39 -54.55 1.45 Allowed 'General case' 0 C--O 1.236 0.369 0 C-N-CA 127.338 2.255 . . . . 0.0 113.311 -173.536 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 74.0 mtm -39.99 -48.98 2.47 Favored 'General case' 0 C--N 1.339 0.144 0 O-C-N 124.385 1.053 . . . . 0.0 110.631 176.822 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 38.3 mm -88.37 -70.91 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 C-N-CA 125.311 1.444 . . . . 0.0 109.806 -175.826 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . 0.267 0.0 OUTLIER -65.75 -24.16 66.89 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -166.622 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -91.39 -61.81 1.57 Allowed 'General case' 0 C--N 1.341 0.215 0 CA-C-N 118.967 0.803 . . . . 0.0 111.449 178.727 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.447 ' OE2' ' NZ ' ' A' ' 89' ' ' LYS . 0.7 OUTLIER -108.96 -20.83 12.9 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 -166.134 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 47.62 32.87 2.67 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.049 0.54 . . . . 0.0 109.564 -166.303 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 78.3 mt 29.28 73.1 0.05 OUTLIER 'General case' 0 C--N 1.347 0.496 0 C-N-CA 127.948 2.499 . . . . 0.0 110.419 -167.907 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.447 ' NZ ' ' OE2' ' A' ' 86' ' ' GLU . 0.0 OUTLIER 64.2 74.03 0.42 Allowed 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 126.015 1.726 . . . . 0.0 109.454 -167.924 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.405 0 N-CA-C 109.722 -1.351 . . . . 0.0 109.722 169.697 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.423 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.14 -58.93 1.79 Allowed 'General case' 0 N--CA 1.459 -0.024 0 CA-C-N 119.021 0.828 . . . . 0.0 112.206 -168.813 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 11.4 t -77.89 145.39 70.03 Favored Pre-proline 0 C--N 1.324 -0.523 0 C-N-CA 124.706 1.203 . . . . 0.0 108.819 179.581 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -56.83 -33.75 95.26 Favored 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 121.721 1.614 . . . . 0.0 110.803 169.892 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 59.0 mt -67.45 -52.95 33.33 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 178.796 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -44.12 96.08 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 -178.496 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -53.6 -51.56 62.65 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.655 0.782 . . . . 0.0 110.687 172.511 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.52 -50.1 72.83 Favored 'General case' 0 C--O 1.234 0.263 0 O-C-N 121.749 -0.594 . . . . 0.0 111.619 179.911 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 33.1 mm -59.03 -45.92 92.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 176.491 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.98 -45.28 50.76 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 124.18 0.895 . . . . 0.0 110.96 174.075 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.2 tp -66.5 -62.53 1.42 Allowed 'General case' 0 N--CA 1.445 -0.687 0 O-C-N 121.855 -0.791 . . . . 0.0 110.513 -179.773 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 80.7 mt -68.78 -56.83 6.79 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 119.136 -1.026 . . . . 0.0 109.985 -173.718 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -90.95 -32.22 5.28 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-O 118.209 -0.901 . . . . 0.0 111.365 -171.411 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.62 -62.32 5.9 Favored Glycine 0 C--N 1.34 0.801 0 N-CA-C 108.437 -1.865 . . . . 0.0 108.437 -178.301 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 45.7 mt -42.27 -40.75 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.156 0 C-N-CA 123.559 0.744 . . . . 0.0 111.118 174.142 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -49.47 -58.29 5.45 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 -177.171 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -90.24 -7.3 53.83 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 176.736 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -62.56 -55.03 31.12 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 106.812 -1.551 . . . . 0.0 106.812 167.908 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 9.1 m-30 -64.92 133.16 51.2 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 176.41 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.7 t 52.59 17.13 0.75 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.345 1.858 . . . . 0.0 115.934 -169.376 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -156.56 -19.06 0.04 OUTLIER Glycine 0 C--N 1.34 0.794 0 C-N-CA 117.94 -2.076 . . . . 0.0 117.395 -169.771 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp 51.78 43.56 29.95 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.089 1.444 . . . . 0.0 111.051 -174.855 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 72.0 -69.63 0.18 Allowed 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 127.433 2.293 . . . . 0.0 110.749 178.703 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 25.09 -106.38 0.01 OUTLIER Glycine 0 CA--C 1.532 1.095 0 C-N-CA 127.089 2.28 . . . . 0.0 113.583 -179.46 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -111.42 -120.62 0.29 Allowed 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.856 2.062 . . . . 0.0 111.193 -174.503 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -109.93 109.4 20.0 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 125.066 1.346 . . . . 0.0 108.886 -172.352 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -139.6 126.76 21.16 Favored 'General case' 0 C--N 1.339 0.125 0 C-N-CA 123.308 0.643 . . . . 0.0 110.027 -179.672 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 18.9 p -83.85 172.86 11.75 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 126.338 1.855 . . . . 0.0 108.925 169.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 6.3 mp -103.22 150.35 23.79 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 118.242 0.473 . . . . 0.0 110.167 176.304 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 18.6 p -120.53 171.52 8.49 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 126.587 1.955 . . . . 0.0 108.414 169.833 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 31.0 tttp -52.38 -30.28 28.18 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -171.052 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.522 ' HZ3' ' CD ' ' B' ' 33' ' ' GLU . 20.1 pttm -64.39 -31.38 72.57 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 -174.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 0.522 ' CD ' ' HZ3' ' B' ' 32' ' ' LYS . 0.8 OUTLIER -91.05 -31.87 16.11 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 119.128 0.876 . . . . 0.0 110.031 171.319 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -51.72 -41.43 61.5 Favored 'General case' 0 C--O 1.225 -0.214 0 CA-C-N 118.554 0.616 . . . . 0.0 110.041 171.122 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -41.25 -43.72 2.46 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.397 0.679 . . . . 0.0 112.72 170.188 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -77.73 -53.4 7.57 Favored 'General case' 0 N--CA 1.454 -0.231 0 O-C-N 122.013 -0.429 . . . . 0.0 110.353 176.865 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 tt -45.66 -49.85 14.05 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.765 1.626 . . . . 0.0 109.878 -175.046 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 5.9 pt -71.86 -17.24 19.16 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -174.357 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -88.1 -58.94 2.38 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 172.209 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -82.2 -82.85 0.13 Allowed 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 123.886 0.875 . . . . 0.0 111.69 -172.365 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -51.56 -34.73 37.98 Favored 'General case' 0 CA--C 1.528 0.122 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -167.47 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 37.2 mt -64.22 -5.82 5.65 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 119.612 1.096 . . . . 0.0 113.898 176.586 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 10.5 m 46.0 -107.96 0.16 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.184 1.793 . . . . 0.0 113.549 167.661 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 44.4 mm -71.21 -18.63 20.54 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 O-C-N 121.35 -0.844 . . . . 0.0 111.284 -174.678 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.42 -52.13 23.18 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 109.34 -1.504 . . . . 0.0 109.34 169.863 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 37.8 p -75.68 -68.51 0.56 Allowed 'General case' 0 N--CA 1.448 -0.556 0 O-C-N 122.555 -0.38 . . . . 0.0 110.456 -174.687 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? 55.69 27.83 11.23 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.305 1.042 . . . . 0.0 110.105 -171.875 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 56.8 mt 50.75 37.58 17.18 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.501 1.12 . . . . 0.0 111.845 -169.165 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 6.7 tm0? -163.77 87.99 0.53 Allowed 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 125.388 1.475 . . . . 0.0 107.807 -177.078 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -80.6 -152.94 0.09 Allowed 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 169.964 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -167.9 172.22 9.18 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 126.744 2.018 . . . . 0.0 105.997 -175.285 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -44.65 88.69 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 119.307 0.958 . . . . 0.0 108.586 171.1 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 35.1 mm -53.73 -44.34 58.64 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 122.696 0.399 . . . . 0.0 110.337 174.264 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 86.4 t -71.47 -42.0 72.89 Favored 'Isoleucine or valine' 0 C--N 1.338 0.098 0 O-C-N 121.598 -0.689 . . . . 0.0 109.598 -179.831 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -28.87 68.71 Favored 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 121.74 -0.6 . . . . 0.0 111.42 -174.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 55.2 tp -50.53 -37.92 41.84 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.511 -0.743 . . . . 0.0 109.884 168.621 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 10.1 tmm? -84.81 -56.98 3.3 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.786 0.834 . . . . 0.0 111.505 176.404 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . 0.262 0.7 OUTLIER -62.22 -45.56 92.82 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 119.891 1.223 . . . . 0.0 114.099 -168.584 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -72.9 20.48 0.08 Allowed 'General case' 0 N--CA 1.44 -0.938 0 O-C-N 121.79 -0.569 . . . . 0.0 110.977 175.176 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 12.0 mt -54.34 -24.54 19.77 Favored 'General case' 0 C--N 1.346 0.45 0 O-C-N 119.482 -2.011 . . . . 0.0 109.99 166.22 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.62 -25.51 0.48 Allowed 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 123.813 0.845 . . . . 0.0 112.539 168.298 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 11.8 ptp85 -43.31 -19.22 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 169.15 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -30.01 -41.13 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 126.988 2.115 . . . . 0.0 112.794 167.92 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . 0.289 3.2 ptmm? 65.15 -59.47 0.26 Allowed 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 127.757 2.423 . . . . 0.0 115.872 172.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -59.54 -40.58 87.7 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 119.321 0.964 . . . . 0.0 109.204 -173.815 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -129.23 121.36 27.45 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 101.911 -3.366 . . . . 0.0 101.911 163.92 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -69.63 -76.02 0.1 Allowed 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 119.025 0.83 . . . . 0.0 109.542 -172.8 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 1.6 t -139.97 104.92 1.98 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 121.592 0.71 . . . . 0.0 111.502 171.741 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -89.53 168.34 12.25 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.225 1.01 . . . . 0.0 108.328 167.35 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -55.29 -40.93 71.66 Favored 'General case' 0 C--O 1.225 -0.212 0 C-N-CA 123.509 0.724 . . . . 0.0 111.914 -169.393 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -56.89 -59.08 5.57 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 179.331 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -56.69 -52.24 65.7 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 122.949 0.5 . . . . 0.0 110.461 -178.2 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -44.39 -59.46 2.4 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 125.586 1.554 . . . . 0.0 109.771 175.543 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . 0.43 HD13 ' HA ' ' B' ' 74' ' ' ILE . 2.8 mm -59.15 -41.81 84.82 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 C-N-CA 123.681 0.793 . . . . 0.0 111.296 178.684 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 44.9 m -61.38 -49.32 77.39 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 118.843 0.747 . . . . 0.0 109.241 -176.323 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . 0.307 5.0 p90 -70.84 -37.44 73.15 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 122.01 -0.431 . . . . 0.0 112.034 -178.769 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 31.2 mt -55.55 -48.09 75.32 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.789 -0.569 . . . . 0.0 109.669 168.489 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.99 -45.92 79.45 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 125.975 1.75 . . . . 0.0 111.973 179.046 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.95 -51.72 55.14 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.732 0.266 . . . . 0.0 110.593 174.781 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 27.1 mt -63.9 -40.0 95.48 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 121.795 -0.566 . . . . 0.0 111.645 175.283 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.408 ' HA ' ' CE1' ' B' ' 84' ' ' TYR . . . -51.66 -47.02 63.95 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.726 0.81 . . . . 0.0 111.046 -178.09 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . 0.414 ' HG2' HD11 ' B' ' 88' ' ' LEU . 30.5 mtp -50.55 -65.65 0.52 Allowed 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 121.263 0.554 . . . . 0.0 109.914 172.902 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.81 -53.79 40.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 123.948 0.899 . . . . 0.0 110.742 -170.007 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . 0.408 ' CE1' ' HA ' ' B' ' 81' ' ' ALA . 0.0 OUTLIER -77.46 -5.73 50.96 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -171.503 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -90.66 -100.1 0.1 Allowed 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 178.039 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.75 24.88 5.37 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 125.339 1.455 . . . . 0.0 111.671 175.174 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . 49.09 35.22 6.72 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 122.874 0.47 . . . . 0.0 109.919 -175.001 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.414 HD11 ' HG2' ' B' ' 82' ' ' MET . 27.1 mt 63.97 45.34 4.29 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.404 1.081 . . . . 0.0 110.11 -179.831 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? 60.25 42.46 15.13 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 125.277 1.431 . . . . 0.0 108.27 -176.64 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.411 0 N-CA-C 109.689 -1.364 . . . . 0.0 109.689 -169.055 . . . . . . . . 0 0 . 1 stop_ save_