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2loy-validation-alt.cif
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2loy-validation-alt.cif
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data_2LOY-validation-alt
#
_entry.id 2LOY
#
_pdbx_nmr_assigned_chem_shift_list.id 1
_pdbx_nmr_assigned_chem_shift_list.data_file_name
D_800385_nmr-data-str_P1.cif.V12
_pdbx_nmr_assigned_chem_shift_list.label
nef_chemical_shift_list_bmr16833.str
_pdbx_nmr_assigned_chem_shift_list.nmr_star_consistency_flag Y
_pdbx_nmr_assigned_chem_shift_list.number_chem_shifts 1275
_pdbx_nmr_assigned_chem_shift_list.number_map_errors 0
_pdbx_nmr_assigned_chem_shift_list.number_map_warnings 0
_pdbx_nmr_assigned_chem_shift_list.number_mapped_chem_shifts 1275
_pdbx_nmr_assigned_chem_shift_list.number_parsed_chem_shifts 1275
_pdbx_nmr_assigned_chem_shift_list.number_unparsed_chem_shifts 0
#
loop_
_pdbx_nmr_chem_shift_annotation.list_id
_pdbx_nmr_chem_shift_annotation.id
_pdbx_nmr_chem_shift_annotation.auth_asym_id
_pdbx_nmr_chem_shift_annotation.auth_comp_id
_pdbx_nmr_chem_shift_annotation.auth_seq_id
_pdbx_nmr_chem_shift_annotation.random_coil_index
1 1 A MET 1 0.041
1 2 A ASP 10 0.018
1 3 A ILE 100 0.010
1 4 A ASP 101 0.009
1 5 A HIS 102 0.010
1 6 A MET 103 0.012
1 7 A GLU 104 0.016
1 8 A LYS 105 0.023
1 9 A ASN 106 0.026
1 10 A ASN 107 0.024
1 11 A ARG 108 0.018
1 12 A ASP 109 0.015
1 13 A ASP 11 0.023
1 14 A LYS 110 0.014
1 15 A ALA 111 0.014
1 16 A ASP 112 0.012
1 17 A VAL 113 0.012
1 18 A ASP 114 0.012
1 19 A ALA 115 0.013
1 20 A PHE 116 0.014
1 21 A LYS 117 0.015
1 22 A LYS 118 0.017
1 23 A LYS 119 0.019
1 24 A GLU 12 0.027
1 25 A ILE 120 0.020
1 26 A GLN 121 0.017
1 27 A GLY 122 0.015
1 28 A TRP 123 0.012
1 29 A VAL 124 0.012
1 30 A VAL 125 0.013
1 31 A SER 126 0.018
1 32 A LEU 127 0.028
1 33 A LEU 128 0.035
1 34 A ALA 129 0.033
1 35 A LEU 13 0.027
1 36 A LYS 130 0.024
1 37 A ASP 131 0.018
1 38 A ARG 132 0.017
1 39 A PHE 133 0.020
1 40 A LYS 134 0.026
1 41 A ASN 135 0.032
1 42 A LEU 136 0.033
1 43 A ALA 137 0.028
1 44 A PHE 138 0.022
1 45 A PHE 139 0.017
1 46 A SER 14 0.021
1 47 A ILE 140 0.015
1 48 A GLY 141 0.015
1 49 A GLU 142 0.015
1 50 A ARG 143 0.017
1 51 A ALA 144 0.025
1 52 A ALA 145 0.041
1 53 A GLU 146 0.078
1 54 A GLY 147 0.087
1 55 A ALA 148 0.074
1 56 A GLU 149 0.039
1 57 A SER 15 0.022
1 58 A ASN 150 0.027
1 59 A GLY 151 0.040
1 60 A GLN 152 0.053
1 61 A VAL 153 0.056
1 62 A ALA 154 0.045
1 63 A ILE 155 0.030
1 64 A ILE 156 0.023
1 65 A GLU 157 0.022
1 66 A TYR 158 0.026
1 67 A ARG 159 0.031
1 68 A ASP 16 0.026
1 69 A ASP 160 0.029
1 70 A VAL 161 0.028
1 71 A ASP 162 0.029
1 72 A GLY 163 0.045
1 73 A THR 164 0.047
1 74 A GLU 165 0.044
1 75 A VAL 166 0.029
1 76 A PRO 167 0.026
1 77 A THR 168 0.026
1 78 A LEU 169 0.024
1 79 A SER 17 0.038
1 80 A MET 170 0.022
1 81 A LEU 171 0.016
1 82 A VAL 172 0.016
1 83 A LYS 173 0.014
1 84 A GLU 174 0.015
1 85 A ALA 175 0.013
1 86 A ILE 176 0.014
1 87 A ILE 177 0.018
1 88 A GLU 178 0.025
1 89 A GLU 179 0.032
1 90 A PHE 18 0.045
1 91 A LYS 180 0.054
1 92 A CYS 181 0.092
1 93 A LEU 182 0.168
1 94 A GLU 183 0.208
1 95 A PRO 19 0.050
1 96 A LEU 2 0.040
1 97 A MET 20 0.045
1 98 A LYS 21 0.044
1 99 A LEU 22 0.037
1 100 A VAL 23 0.030
1 101 A ASP 24 0.020
1 102 A ASP 25 0.015
1 103 A LEU 26 0.015
1 104 A VAL 27 0.018
1 105 A TYR 28 0.022
1 106 A GLU 29 0.027
1 107 A ILE 3 0.035
1 108 A PHE 30 0.029
1 109 A LYS 31 0.032
1 110 A GLY 32 0.029
1 111 A LYS 33 0.026
1 112 A HIS 34 0.021
1 113 A VAL 35 0.022
1 114 A VAL 36 0.033
1 115 A ARG 37 0.046
1 116 A LYS 38 0.068
1 117 A GLU 39 0.084
1 118 A TYR 4 0.030
1 119 A GLY 40 0.122
1 120 A GLU 41 0.126
1 121 A ILE 42 0.134
1 122 A VAL 43 0.130
1 123 A LEU 44 0.198
1 124 A ALA 45 0.287
1 125 A GLY 46 0.378
1 126 A SER 47 0.422
1 127 A ASN 48 0.422
1 128 A PRO 49 0.382
1 129 A LYS 5 0.022
1 130 A SER 50 0.336
1 131 A ALA 51 0.267
1 132 A GLU 52 0.219
1 133 A GLU 53 0.193
1 134 A GLY 54 0.225
1 135 A ALA 55 0.195
1 136 A GLU 56 0.131
1 137 A ASP 57 0.051
1 138 A ASP 58 0.047
1 139 A GLY 59 0.056
1 140 A ASP 6 0.017
1 141 A SER 60 0.066
1 142 A ASP 61 0.063
1 143 A GLU 62 0.069
1 144 A HIS 63 0.072
1 145 A VAL 64 0.070
1 146 A GLU 65 0.066
1 147 A ARG 66 0.058
1 148 A GLY 67 0.048
1 149 A ILE 68 0.030
1 150 A ASP 69 0.016
1 151 A ILE 7 0.019
1 152 A ILE 70 0.014
1 153 A VAL 71 0.016
1 154 A LEU 72 0.019
1 155 A ASN 73 0.020
1 156 A HIS 74 0.022
1 157 A LYS 75 0.024
1 158 A LEU 76 0.029
1 159 A VAL 77 0.029
1 160 A GLU 78 0.028
1 161 A MET 79 0.024
1 162 A PHE 8 0.021
1 163 A ASN 80 0.025
1 164 A CYS 81 0.026
1 165 A TYR 82 0.025
1 166 A GLU 83 0.022
1 167 A ASP 84 0.021
1 168 A ALA 85 0.019
1 169 A SER 86 0.016
1 170 A MET 87 0.014
1 171 A PHE 88 0.013
1 172 A LYS 89 0.013
1 173 A THR 9 0.021
1 174 A ALA 90 0.017
1 175 A TYR 91 0.021
1 176 A ILE 92 0.022
1 177 A LYS 93 0.019
1 178 A LYS 94 0.017
1 179 A PHE 95 0.015
1 180 A MET 96 0.014
1 181 A LYS 97 0.013
1 182 A ASN 98 0.012
1 183 A VAL 99 0.011
#
loop_
_pdbx_nmr_chem_shift_completeness.list_id
_pdbx_nmr_chem_shift_completeness.atom_group
_pdbx_nmr_chem_shift_completeness.atom_type
_pdbx_nmr_chem_shift_completeness.number_assigned_chem_shifts_well_formed
_pdbx_nmr_chem_shift_completeness.number_target_shifts_well_formed
_pdbx_nmr_chem_shift_completeness.number_unassigned_chem_shifts_well_formed
_pdbx_nmr_chem_shift_completeness.number_assigned_chem_shifts
_pdbx_nmr_chem_shift_completeness.number_target_shifts
_pdbx_nmr_chem_shift_completeness.number_unassigned_chem_shifts
1 sidechain H 111 640 529 115 691 576
1 backbone H 158 322 164 178 363 185
1 overall H 322 1045 723 346 1141 795
1 aromatic H 53 83 30 53 87 34
1 sidechain C 220 415 195 240 452 212
1 backbone C 321 324 3 362 366 4
1 overall C 541 806 265 602 887 285
1 aromatic C 0 67 67 0 69 69
1 sidechain Total 340 1101 761 365 1190 825
1 backbone Total 637 806 169 718 909 191
1 overall Total 1031 2064 1033 1137 2264 1127
1 aromatic Total 54 157 103 54 165 111
1 stereomethyl stereomethyl 26 27 1 27 29 2
1 sidechain N 9 46 37 10 47 37
1 backbone N 158 160 2 178 180 2
1 overall N 168 213 45 189 236 47
1 aromatic N 1 7 6 1 9 8
#
loop_
_pdbx_nmr_chem_shift_re_offset.list_id
_pdbx_nmr_chem_shift_re_offset.atom_type
_pdbx_nmr_chem_shift_re_offset.correction_val
_pdbx_nmr_chem_shift_re_offset.correction_val_err
_pdbx_nmr_chem_shift_re_offset.correction_val_esd
_pdbx_nmr_chem_shift_re_offset.number_chem_shifts
1 CB 0.52 0.50 0.09 171
1 C -0.48 0.50 0.10 180
1 CA -0.62 0.50 0.12 182
1 N -0.15 0.50 0.35 178
#
_pdbx_validate_nmr_chem_shift.list_id 1
_pdbx_validate_nmr_chem_shift.id 1
_pdbx_validate_nmr_chem_shift.auth_asym_id A
_pdbx_validate_nmr_chem_shift.auth_comp_id ARG
_pdbx_validate_nmr_chem_shift.auth_seq_id 143
_pdbx_validate_nmr_chem_shift.auth_atom_id H
_pdbx_validate_nmr_chem_shift.val 11.733
_pdbx_validate_nmr_chem_shift.target_val 8.240
_pdbx_validate_nmr_chem_shift.Zscore 5.726
_pdbx_validate_nmr_chem_shift.method shiftchecker
#
_pdbx_percentile_list.entry_id 2LOY
_pdbx_percentile_list.name all,nmr
#
loop_
_pdbx_percentile_view.entry_id
_pdbx_percentile_view.conditions_id
_pdbx_percentile_view.type
_pdbx_percentile_view.conditions_label
_pdbx_percentile_view.rank
2LOY 1 all_atom_clashscore absolute 77.6
2LOY 2 all_atom_clashscore relative 73.9
2LOY 3 Ramachandran_outlier_percent absolute 9.9
2LOY 4 Ramachandran_outlier_percent relative 49.1
2LOY 5 rotamer_outliers_percent absolute 32.5
2LOY 6 rotamer_outliers_percent relative 81.3
#
loop_
_pdbx_percentile_conditions.id
_pdbx_percentile_conditions.number_entries_total
1 158937
2 12864
3 154571
4 11451
5 154315
6 11428
#
loop_
_pdbx_percentile_entity_view.conditions_id
_pdbx_percentile_entity_view.type
_pdbx_percentile_entity_view.label_asym_id
_pdbx_percentile_entity_view.PDB_model_num
_pdbx_percentile_entity_view.entity_id
_pdbx_percentile_entity_view.auth_asym_id
_pdbx_percentile_entity_view.conditions_label
_pdbx_percentile_entity_view.rank
3 Ramachandran_outlier_percent A 1 1 A absolute 14.01
4 Ramachandran_outlier_percent A 1 1 A relative 14.01
5 rotamer_outliers_percent A 1 1 A absolute 32.77
6 rotamer_outliers_percent A 1 1 A relative 32.77
3 Ramachandran_outlier_percent A 2 1 A absolute 2.83
4 Ramachandran_outlier_percent A 2 1 A relative 2.83
5 rotamer_outliers_percent A 2 1 A absolute 28.08
6 rotamer_outliers_percent A 2 1 A relative 28.08
3 Ramachandran_outlier_percent A 3 1 A absolute 4.59
4 Ramachandran_outlier_percent A 3 1 A relative 4.59
5 rotamer_outliers_percent A 3 1 A absolute 23.53
6 rotamer_outliers_percent A 3 1 A relative 23.53
3 Ramachandran_outlier_percent A 4 1 A absolute 2.83
4 Ramachandran_outlier_percent A 4 1 A relative 2.83
5 rotamer_outliers_percent A 4 1 A absolute 32.77
6 rotamer_outliers_percent A 4 1 A relative 32.77
3 Ramachandran_outlier_percent A 5 1 A absolute 4.59
4 Ramachandran_outlier_percent A 5 1 A relative 4.59
5 rotamer_outliers_percent A 5 1 A absolute 38.61
6 rotamer_outliers_percent A 5 1 A relative 38.61
3 Ramachandran_outlier_percent A 6 1 A absolute 4.59
4 Ramachandran_outlier_percent A 6 1 A relative 4.59
5 rotamer_outliers_percent A 6 1 A absolute 28.08
6 rotamer_outliers_percent A 6 1 A relative 28.08
3 Ramachandran_outlier_percent A 7 1 A absolute 8.76
4 Ramachandran_outlier_percent A 7 1 A relative 8.76
5 rotamer_outliers_percent A 7 1 A absolute 23.53
6 rotamer_outliers_percent A 7 1 A relative 23.53
3 Ramachandran_outlier_percent A 8 1 A absolute 4.59
4 Ramachandran_outlier_percent A 8 1 A relative 4.59
5 rotamer_outliers_percent A 8 1 A absolute 38.61
6 rotamer_outliers_percent A 8 1 A relative 38.61
3 Ramachandran_outlier_percent A 9 1 A absolute 14.01
4 Ramachandran_outlier_percent A 9 1 A relative 14.01
5 rotamer_outliers_percent A 9 1 A absolute 32.77
6 rotamer_outliers_percent A 9 1 A relative 32.77
3 Ramachandran_outlier_percent A 10 1 A absolute 4.59
4 Ramachandran_outlier_percent A 10 1 A relative 4.59
5 rotamer_outliers_percent A 10 1 A absolute 20.31
6 rotamer_outliers_percent A 10 1 A relative 20.31
3 Ramachandran_outlier_percent A 11 1 A absolute 4.59
4 Ramachandran_outlier_percent A 11 1 A relative 4.59
5 rotamer_outliers_percent A 11 1 A absolute 28.08
6 rotamer_outliers_percent A 11 1 A relative 28.08
3 Ramachandran_outlier_percent A 12 1 A absolute 8.76
4 Ramachandran_outlier_percent A 12 1 A relative 8.76
5 rotamer_outliers_percent A 12 1 A absolute 68.64
6 rotamer_outliers_percent A 12 1 A relative 68.64
3 Ramachandran_outlier_percent A 13 1 A absolute 2.83
4 Ramachandran_outlier_percent A 13 1 A relative 2.83
5 rotamer_outliers_percent A 13 1 A absolute 38.61
6 rotamer_outliers_percent A 13 1 A relative 38.61
3 Ramachandran_outlier_percent A 14 1 A absolute 2.83
4 Ramachandran_outlier_percent A 14 1 A relative 2.83
5 rotamer_outliers_percent A 14 1 A absolute 23.53
6 rotamer_outliers_percent A 14 1 A relative 23.53
3 Ramachandran_outlier_percent A 15 1 A absolute 4.59
4 Ramachandran_outlier_percent A 15 1 A relative 4.59
5 rotamer_outliers_percent A 15 1 A absolute 56.63
6 rotamer_outliers_percent A 15 1 A relative 56.63
3 Ramachandran_outlier_percent A 16 1 A absolute 4.59
4 Ramachandran_outlier_percent A 16 1 A relative 4.59
5 rotamer_outliers_percent A 16 1 A absolute 32.77
6 rotamer_outliers_percent A 16 1 A relative 32.77
3 Ramachandran_outlier_percent A 17 1 A absolute 8.76
4 Ramachandran_outlier_percent A 17 1 A relative 8.76
5 rotamer_outliers_percent A 17 1 A absolute 20.31
6 rotamer_outliers_percent A 17 1 A relative 20.31
3 Ramachandran_outlier_percent A 18 1 A absolute 4.59
4 Ramachandran_outlier_percent A 18 1 A relative 4.59
5 rotamer_outliers_percent A 18 1 A absolute 32.77
6 rotamer_outliers_percent A 18 1 A relative 32.77
3 Ramachandran_outlier_percent A 19 1 A absolute 8.76
4 Ramachandran_outlier_percent A 19 1 A relative 8.76
5 rotamer_outliers_percent A 19 1 A absolute 9.46
6 rotamer_outliers_percent A 19 1 A relative 9.46
3 Ramachandran_outlier_percent A 20 1 A absolute 8.76
4 Ramachandran_outlier_percent A 20 1 A relative 8.76
5 rotamer_outliers_percent A 20 1 A absolute 23.53
6 rotamer_outliers_percent A 20 1 A relative 23.53
#
_pdbx_dcc_geometry.entry_id 2LOY
_pdbx_dcc_geometry.Ramachandran_outlier_percent 2.54
_pdbx_dcc_geometry.Ramachandran_outlier_percent_nmr_well_formed 2.22
_pdbx_dcc_geometry.all_atom_clashscore 2.74
_pdbx_dcc_geometry.all_atom_clashscore_nmr_well_formed 2.92
_pdbx_dcc_geometry.angle_overall_rmsz 0.65
_pdbx_dcc_geometry.bond_overall_rmsz 0.83
_pdbx_dcc_geometry.number_angles 39680
_pdbx_dcc_geometry.number_bonds 29580
_pdbx_dcc_geometry.rotamer_outliers_percent 4.27
_pdbx_dcc_geometry.rotamer_outliers_percent_nmr_well_formed 4.27
#
loop_
_pdbx_dcc_entity_geometry.label_asym_id
_pdbx_dcc_entity_geometry.PDB_model_num
_pdbx_dcc_entity_geometry.entity_id
_pdbx_dcc_entity_geometry.auth_asym_id
_pdbx_dcc_entity_geometry.angle_overall_rmsz
_pdbx_dcc_entity_geometry.bond_overall_rmsz
_pdbx_dcc_entity_geometry.number_angles
_pdbx_dcc_entity_geometry.number_bonds
A 1 1 A 0.65 0.82 1984 1479
A 2 1 A 0.66 0.83 1984 1479
A 3 1 A 0.66 0.80 1984 1479
A 4 1 A 0.64 0.85 1984 1479
A 5 1 A 0.62 0.83 1984 1479
A 6 1 A 0.64 0.81 1984 1479
A 7 1 A 0.62 0.80 1984 1479
A 8 1 A 0.65 0.84 1984 1479
A 9 1 A 0.63 0.83 1984 1479
A 10 1 A 0.65 0.83 1984 1479
A 11 1 A 0.64 0.85 1984 1479
A 12 1 A 0.63 0.81 1984 1479
A 13 1 A 0.66 0.83 1984 1479
A 14 1 A 0.66 0.86 1984 1479
A 15 1 A 0.65 0.85 1984 1479
A 16 1 A 0.65 0.85 1984 1479
A 17 1 A 0.65 0.84 1984 1479
A 18 1 A 0.64 0.82 1984 1479
A 19 1 A 0.66 0.84 1984 1479
A 20 1 A 0.66 0.82 1984 1479
#
loop_
_struct_mon_prot.pdbx_id
_struct_mon_prot.PDB_model_num
_struct_mon_prot.auth_asym_id
_struct_mon_prot.auth_comp_id
_struct_mon_prot.auth_seq_id
_struct_mon_prot.pdbx_rotamer
_struct_mon_prot.phi
_struct_mon_prot.psi
_struct_mon_prot.pdbx_Ramachandran_region
1 1 A MET 1 tpt ? ? ?
2 1 A LEU 2 mt -132.5 134.1 Favored
3 1 A ILE 3 mt -103.0 120.9 Favored
4 1 A TYR 4 m-85 -105.1 135.9 Favored
5 1 A LYS 5 OUTLIER -137.5 146.2 Favored
6 1 A ASP 6 t70 -106.3 172.4 Favored
7 1 A ILE 7 mt -64.8 -35.8 Favored
8 1 A PHE 8 m-85 -110.8 -43.2 Favored
9 1 A THR 9 p -98.3 20.2 Favored
10 1 A ASP 10 t70 -45.5 -43.0 Favored
11 1 A ASP 11 t70 -49.5 -61.7 Allowed
12 1 A GLU 12 tt0 -125.3 21.8 Favored
13 1 A LEU 13 tp -49.1 -65.4 Allowed
14 1 A SER 14 t -158.2 173.5 Favored
15 1 A SER 15 p 172.9 90.0 OUTLIER
16 1 A ASP 16 t70 -174.0 167.9 Favored
17 1 A SER 17 m -68.9 65.1 Allowed
18 1 A PHE 18 m-85 -87.9 134.1 Favored
19 1 A PRO 19 Cg_endo -67.3 121.1 Favored
20 1 A MET 20 ptm -132.7 147.0 Favored
21 1 A LYS 21 mtpp -131.7 158.7 Favored
22 1 A LEU 22 tp -117.6 110.9 Favored
23 1 A VAL 23 p -98.2 139.1 Favored
24 1 A ASP 24 t70 62.7 10.4 Favored
25 1 A ASP 25 t70 51.3 38.7 Favored
26 1 A LEU 26 tp -134.7 -50.2 Allowed
27 1 A VAL 27 t -125.1 138.3 Favored
28 1 A TYR 28 m-85 -86.1 120.0 Favored
29 1 A GLU 29 mm-40 -88.6 103.5 Favored
30 1 A PHE 30 t80 -109.7 103.9 Favored
31 1 A LYS 31 tttm -85.0 145.0 Favored
32 1 A GLY 32 ? -133.8 -163.4 Favored
33 1 A LYS 33 ptmt -144.2 143.2 Favored
34 1 A HIS 34 p80 -74.2 121.5 Favored
35 1 A VAL 35 m -146.4 166.7 Favored
36 1 A VAL 36 m -128.8 139.7 Favored
37 1 A ARG 37 tpt180 -100.1 108.4 Favored
38 1 A LYS 38 tmtm? -124.7 106.4 Favored
39 1 A GLU 39 tt0 -72.7 79.6 Allowed
40 1 A GLY 40 ? 162.7 -35.8 Allowed
41 1 A GLU 41 tt0 -174.9 105.0 Allowed
42 1 A ILE 42 tt -73.4 98.8 Allowed
43 1 A VAL 43 t -128.4 116.7 Favored
44 1 A LEU 44 mp -64.7 -40.0 Favored
45 1 A ALA 45 ? -79.9 -11.0 Favored
46 1 A GLY 46 ? -91.0 66.2 Favored
47 1 A SER 47 m -136.8 158.4 Favored
48 1 A ASN 48 t-20 -68.0 113.3 Favored
49 1 A PRO 49 Cg_exo -67.6 92.5 Allowed
50 1 A SER 50 t -73.4 94.9 Favored
51 1 A ALA 51 ? -67.1 -59.5 Favored
52 1 A GLU 52 mm-40 -99.2 -70.3 Allowed
53 1 A GLU 53 mm-40 -127.3 -47.2 Allowed
54 1 A GLY 54 ? 72.4 28.0 Favored
55 1 A ALA 55 ? -90.9 39.2 Allowed
56 1 A GLU 56 mm-40 -61.6 106.6 Allowed
57 1 A ASP 57 p-10 -53.4 -44.0 Favored
58 1 A ASP 58 t70 -97.7 91.5 Favored
59 1 A GLY 59 ? 74.0 86.0 Allowed
60 1 A SER 60 m -56.0 -35.0 Favored
61 1 A ASP 61 p30 -140.6 -169.0 Favored
62 1 A GLU 62 mt-10 -106.3 54.1 Allowed
63 1 A HIS 63 t-80 60.7 33.0 Favored
64 1 A VAL 64 t -100.8 92.3 Favored
65 1 A GLU 65 mp0 -69.6 74.5 Allowed
66 1 A ARG 66 ttp85 -76.0 134.4 Favored
67 1 A GLY 67 ? 168.0 -141.4 Favored
68 1 A ILE 68 pt -111.2 158.7 Favored
69 1 A ASP 69 t70 -62.9 -30.5 Favored
70 1 A ILE 70 mt -59.8 -52.6 Favored
71 1 A VAL 71 t -68.2 -48.0 Favored
72 1 A LEU 72 mt -67.5 -23.2 Favored
73 1 A ASN 73 t-20 -53.6 -53.8 Favored
74 1 A HIS 74 t-160 -114.7 -1.6 Favored
75 1 A LYS 75 mtmm 66.7 70.1 Allowed
76 1 A LEU 76 mt -87.7 133.7 Favored
77 1 A VAL 77 p -84.7 129.6 Favored
78 1 A GLU 78 pt-20 -72.4 147.0 Favored
79 1 A MET 79 mtp -148.0 144.0 Favored
80 1 A ASN 80 m-80 -127.0 124.0 Favored
81 1 A CYS 81 p -59.0 -15.3 Favored
82 1 A TYR 82 m-85 -57.3 -48.7 Favored
83 1 A GLU 83 mt-10 -104.8 -39.2 Favored
84 1 A ASP 84 m-20 -82.8 20.1 Allowed
85 1 A ALA 85 ? -49.7 -46.0 Favored
86 1 A SER 86 m -68.3 -50.7 Favored
87 1 A MET 87 mmm -60.3 -47.5 Favored
88 1 A PHE 88 t80 -64.0 -36.2 Favored
89 1 A LYS 89 tppt? -63.7 -37.4 Favored
90 1 A ALA 90 ? -61.5 -49.0 Favored
91 1 A TYR 91 m-85 -65.2 -32.2 Favored
92 1 A ILE 92 mm -66.2 -41.2 Favored
93 1 A LYS 93 tppp? -67.0 -36.4 Favored
94 1 A LYS 94 mttt -64.4 -47.0 Favored
95 1 A PHE 95 t80 -53.8 -62.4 Allowed
96 1 A MET 96 ptm -62.3 -38.1 Favored
97 1 A LYS 97 tptt -66.2 -42.3 Favored
98 1 A ASN 98 t30 -65.6 -54.1 Favored
99 1 A VAL 99 m -67.4 -40.2 Favored
100 1 A ILE 100 mt -69.4 -45.7 Favored
101 1 A ASP 101 t70 -64.8 -35.2 Favored
102 1 A HIS 102 t-80 -59.4 -47.4 Favored
103 1 A MET 103 tpt -71.4 -28.3 Favored
104 1 A GLU 104 mm-40 -67.4 -23.5 Favored
105 1 A LYS 105 ttpt -86.0 -30.6 Favored
106 1 A ASN 106 m-20 -76.3 -36.6 Favored
107 1 A ASN 107 t-20 -118.5 -66.7 Allowed
108 1 A ARG 108 OUTLIER 74.9 -30.5 Allowed
109 1 A ASP 109 t70 -68.9 -16.9 Favored
110 1 A LYS 110 mmtm 80.0 -2.5 Favored
111 1 A ALA 111 ? -66.0 -60.4 Favored
112 1 A ASP 112 m-20 -91.1 -34.3 Favored
113 1 A VAL 113 m -69.0 -44.8 Favored
114 1 A ASP 114 t70 -72.5 -32.9 Favored
115 1 A ALA 115 ? -65.5 -53.1 Favored
116 1 A PHE 116 t80 -56.8 -37.6 Favored
117 1 A LYS 117 tttt -64.1 -44.3 Favored
118 1 A LYS 118 mmtm -63.4 -38.5 Favored
119 1 A LYS 119 mmmm -71.7 -49.5 Favored
120 1 A ILE 120 tp -74.0 -37.6 Favored
121 1 A GLN 121 OUTLIER -68.3 -45.5 Favored
122 1 A GLY 122 ? -62.7 -39.0 Favored
123 1 A TRP 123 t-105 -64.2 -50.7 Favored
124 1 A VAL 124 m -67.6 -38.2 Favored
125 1 A VAL 125 t -61.0 -39.9 Favored
126 1 A SER 126 t -70.6 -45.4 Favored
127 1 A LEU 127 tp -65.7 -32.0 Favored
128 1 A LEU 128 mt -88.5 3.1 Favored
129 1 A ALA 129 ? -82.2 92.5 Favored
130 1 A LYS 130 mtmt -60.4 -9.2 Favored
131 1 A ASP 131 m-20 -53.6 -47.6 Favored
132 1 A ARG 132 OUTLIER -111.9 -34.4 Favored
133 1 A PHE 133 m-85 -73.3 -0.3 Favored
134 1 A LYS 134 ptmt -50.6 -9.5 OUTLIER
135 1 A ASN 135 p-10 -81.9 6.8 Favored
136 1 A LEU 136 mt -89.4 141.0 Favored
137 1 A ALA 137 ? -127.6 113.3 Favored
138 1 A PHE 138 m-85 -87.6 136.5 Favored
139 1 A PHE 139 m-85 -135.4 153.3 Favored
140 1 A ILE 140 tt -139.0 145.3 Favored
141 1 A GLY 141 ? -56.7 131.3 Favored
142 1 A GLU 142 pt-20 -46.0 -33.7 Favored
143 1 A ARG 143 mmt85 -73.5 -49.3 Favored
144 1 A ALA 144 ? -65.8 -34.7 Favored
145 1 A ALA 145 ? -80.7 -8.9 Favored
146 1 A GLU 146 tt0 -89.0 -41.8 Favored
147 1 A GLY 147 ? -100.7 5.1 Favored
148 1 A ALA 148 ? 60.5 34.7 Favored
149 1 A GLU 149 mm-40 -63.2 178.4 Allowed
150 1 A ASN 150 t30 -88.1 8.2 Favored
151 1 A GLY 151 ? -61.2 144.7 Favored
152 1 A GLN 152 pt20 -85.0 162.7 Favored
153 1 A VAL 153 t -87.2 125.4 Favored
154 1 A ALA 154 ? -70.2 108.0 Favored
155 1 A ILE 155 mt -90.9 103.0 Favored
156 1 A ILE 156 mm -93.2 148.0 Favored
157 1 A GLU 157 OUTLIER -139.2 147.4 Favored
158 1 A TYR 158 p90 -98.2 134.4 Favored
159 1 A ARG 159 ttm180 -124.8 153.1 Favored
160 1 A ASP 160 m-20 -118.8 94.0 Favored
161 1 A VAL 161 p -119.4 123.8 Favored
162 1 A ASP 162 m-20 55.8 32.6 Favored
163 1 A GLY 163 ? 77.5 23.0 Favored
164 1 A THR 164 m -128.1 125.8 Favored
165 1 A GLU 165 pt-20 -73.5 112.9 Favored
166 1 A VAL 166 m -116.9 106.9 Favored
167 1 A PRO 167 Cg_exo -76.2 117.0 Favored
168 1 A THR 168 m -116.1 124.2 Favored
169 1 A LEU 169 tp -77.0 137.7 Favored
170 1 A MET 170 mtp -117.6 122.7 Favored
171 1 A LEU 171 mt -136.3 147.8 Favored
172 1 A VAL 172 p -75.5 144.7 Favored
173 1 A LYS 173 ptmm? -57.0 -32.8 Favored
174 1 A GLU 174 tp10 -85.8 1.1 Favored
175 1 A ALA 175 ? -126.5 -1.0 Favored
176 1 A ILE 176 mm -121.2 141.2 Favored
177 1 A ILE 177 mm -126.9 114.0 Favored
178 1 A GLU 178 pt-20 -84.5 127.0 Favored
179 1 A GLU 179 tt0 -116.3 101.8 Favored
180 1 A LYS 180 ttpt -68.5 137.8 Favored
181 1 A CYS 181 t -131.9 88.3 Favored
182 1 A LEU 182 mt -131.2 100.8 Favored
183 1 A GLU 183 OUTLIER ? ? ?
184 2 A MET 1 mtp ? ? ?
185 2 A LEU 2 mt -94.5 115.4 Favored
186 2 A ILE 3 mt -99.0 132.5 Favored
187 2 A TYR 4 m-85 -121.8 132.4 Favored
188 2 A LYS 5 mppt? -120.7 120.2 Favored
189 2 A ASP 6 t70 -69.0 177.9 Favored
190 2 A ILE 7 pt -81.9 -29.6 Favored
191 2 A PHE 8 m-85 -114.0 -38.7 Favored
192 2 A THR 9 m -96.3 15.8 Favored
193 2 A ASP 10 p-10 -54.6 -33.9 Favored
194 2 A ASP 11 t70 -50.6 -57.4 Favored
195 2 A GLU 12 pt-20 -123.8 24.3 Favored
196 2 A LEU 13 tm? -60.3 -61.1 Favored
197 2 A SER 14 t -155.2 161.3 Favored
198 2 A SER 15 t 172.3 81.9 OUTLIER
199 2 A ASP 16 t70 -177.8 165.2 Favored
200 2 A SER 17 p -67.8 88.3 Allowed
201 2 A PHE 18 m-85 -109.8 151.7 Favored
202 2 A PRO 19 Cg_endo -71.7 120.7 Favored
203 2 A MET 20 OUTLIER -83.9 136.0 Favored
204 2 A LYS 21 mmmm -141.8 107.3 Favored
205 2 A LEU 22 tp -109.3 133.7 Favored
206 2 A VAL 23 p -124.9 137.1 Favored
207 2 A ASP 24 t70 66.4 4.3 Favored
208 2 A ASP 25 t70 59.5 11.7 Favored
209 2 A LEU 26 tp -113.0 -41.5 Favored
210 2 A VAL 27 t -119.5 130.9 Favored
211 2 A TYR 28 t80 -93.6 117.8 Favored
212 2 A GLU 29 pt-20 -97.4 119.6 Favored
213 2 A PHE 30 t80 -110.8 106.2 Favored
214 2 A LYS 31 tttt -66.0 113.5 Favored
215 2 A GLY 32 ? -97.1 165.4 Favored
216 2 A LYS 33 ptpt -94.4 125.4 Favored
217 2 A HIS 34 OUTLIER -73.6 106.8 Favored
218 2 A VAL 35 m -139.2 162.2 Favored
219 2 A VAL 36 m -109.6 124.0 Favored
220 2 A ARG 37 tpt180 -132.7 108.1 Favored
221 2 A LYS 38 ptmm? -129.7 160.5 Favored
222 2 A GLU 39 pt-20 50.7 -76.1 OUTLIER
223 2 A GLY 40 ? -173.3 32.4 Allowed
224 2 A GLU 41 tp10 -147.4 146.7 Favored
225 2 A ILE 42 tp -106.2 104.1 Favored
226 2 A VAL 43 p -146.1 103.4 Allowed
227 2 A LEU 44 mm? -56.5 86.3 OUTLIER
228 2 A ALA 45 ? -65.7 -44.3 Favored
229 2 A GLY 46 ? 59.6 -145.7 Favored
230 2 A SER 47 m -88.4 86.0 Favored
231 2 A ASN 48 t30 -155.1 -50.8 OUTLIER
232 2 A PRO 49 Cg_endo -88.8 -171.1 Allowed
233 2 A SER 50 p -66.5 97.4 Allowed
234 2 A ALA 51 ? -66.4 -30.8 Favored
235 2 A GLU 52 mm-40 -91.5 22.6 Favored
236 2 A GLU 53 tm-20 -135.0 149.8 Favored
237 2 A GLY 54 ? -87.7 0.2 Favored
238 2 A ALA 55 ? 77.2 -52.9 Allowed
239 2 A GLU 56 tp10 -149.2 130.8 Favored
240 2 A ASP 57 t70 -87.7 -34.8 Favored
241 2 A ASP 58 t70 -73.2 91.5 Allowed
242 2 A GLY 59 ? 125.7 -25.6 Favored
243 2 A SER 60 t -117.4 51.9 Allowed
244 2 A ASP 61 m-20 -71.5 -51.0 Favored
245 2 A GLU 62 mp0 -69.6 -23.9 Favored
246 2 A HIS 63 m-70 60.6 84.0 Allowed
247 2 A VAL 64 t -74.1 -96.9 OUTLIER
248 2 A GLU 65 pt-20 65.2 -36.1 Allowed
249 2 A ARG 66 mmt180 -132.7 110.9 Favored
250 2 A GLY 67 ? -163.0 168.6 Favored
251 2 A ILE 68 pt -109.6 160.1 Favored
252 2 A ASP 69 t70 -39.1 -40.5 Allowed
253 2 A ILE 70 mm -56.5 -42.4 Favored
254 2 A VAL 71 t -85.3 -49.5 Favored
255 2 A LEU 72 mt -72.1 -49.0 Favored
256 2 A ASN 73 t30 -69.8 -26.0 Favored
257 2 A HIS 74 m80 -103.4 -14.9 Favored
258 2 A LYS 75 mtpm? 60.1 70.0 Allowed
259 2 A LEU 76 mt -96.6 142.1 Favored
260 2 A VAL 77 p -96.0 124.2 Favored
261 2 A GLU 78 OUTLIER -53.4 151.1 Favored
262 2 A MET 79 tpt -147.0 103.6 Favored
263 2 A ASN 80 m-20 -94.2 94.0 Favored
264 2 A CYS 81 p -68.9 -31.0 Favored
265 2 A TYR 82 m-85 -72.1 -21.2 Favored
266 2 A GLU 83 mp0 -105.2 -16.7 Favored
267 2 A ASP 84 t70 -127.4 23.5 Favored
268 2 A ALA 85 ? -48.2 -28.9 Favored
269 2 A SER 86 m -62.2 -59.2 Favored
270 2 A MET 87 mmm -64.7 -39.2 Favored
271 2 A PHE 88 t80 -61.1 -46.2 Favored
272 2 A LYS 89 tptt -61.3 -35.3 Favored
273 2 A ALA 90 ? -68.1 -40.6 Favored
274 2 A TYR 91 m-85 -67.4 -43.7 Favored
275 2 A ILE 92 mm -64.1 -33.5 Favored
276 2 A LYS 93 tmtm? -61.9 -47.1 Favored
277 2 A LYS 94 mtmt -72.8 -40.5 Favored
278 2 A PHE 95 t80 -55.1 -54.9 Favored
279 2 A MET 96 ttt -59.7 -46.1 Favored
280 2 A LYS 97 tmtm? -58.2 -44.9 Favored
281 2 A ASN 98 t-20 -62.6 -50.4 Favored
282 2 A VAL 99 m -67.9 -39.2 Favored
283 2 A ILE 100 mt -73.4 -38.5 Favored
284 2 A ASP 101 t70 -67.3 -27.2 Favored
285 2 A HIS 102 t60 -63.5 -57.9 Favored
286 2 A MET 103 ptm -73.9 -19.7 Favored
287 2 A GLU 104 tt0 -53.8 -55.8 Favored
288 2 A LYS 105 OUTLIER -61.1 -24.3 Favored
289 2 A ASN 106 m-20 -94.3 -16.4 Favored
290 2 A ASN 107 t-20 -129.1 -83.4 Allowed
291 2 A ARG 108 mtt180 53.6 20.9 Favored
292 2 A ASP 109 t70 -74.2 -22.0 Favored
293 2 A LYS 110 mtmp? 86.5 -35.2 OUTLIER
294 2 A ALA 111 ? -64.5 -44.4 Favored
295 2 A ASP 112 m-20 -77.9 -41.5 Favored
296 2 A VAL 113 m -70.7 -28.6 Favored
297 2 A ASP 114 t70 -68.1 -47.8 Favored
298 2 A ALA 115 ? -64.1 -38.3 Favored
299 2 A PHE 116 t80 -65.4 -49.6 Favored
300 2 A LYS 117 pttp -67.5 -25.8 Favored
301 2 A LYS 118 mmmt -61.9 -51.2 Favored
302 2 A LYS 119 mmmm -75.8 -36.5 Favored
303 2 A ILE 120 tp -73.2 -37.2 Favored
304 2 A GLN 121 OUTLIER -67.0 -48.1 Favored
305 2 A GLY 122 ? -62.3 -37.3 Favored
306 2 A TRP 123 t90 -64.4 -55.3 Favored
307 2 A VAL 124 m -66.0 -41.7 Favored
308 2 A VAL 125 m -62.8 -40.0 Favored
309 2 A SER 126 t -73.2 -32.8 Favored
310 2 A LEU 127 tp -77.3 -31.2 Favored
311 2 A LEU 128 mt -84.0 3.6 Favored
312 2 A ALA 129 ? -72.0 84.0 Allowed
313 2 A LYS 130 ptpt -66.1 -14.8 Favored
314 2 A ASP 131 m-20 -67.6 -36.4 Favored
315 2 A ARG 132 mtp-105 -105.8 -39.1 Favored
316 2 A PHE 133 m-85 -81.7 -1.4 Favored
317 2 A LYS 134 pttm -47.6 -10.8 OUTLIER
318 2 A ASN 135 m120 -82.0 6.2 Favored
319 2 A LEU 136 mt -91.7 154.3 Favored
320 2 A ALA 137 ? -140.6 125.7 Favored
321 2 A PHE 138 m-85 -98.7 153.1 Favored
322 2 A PHE 139 m-85 -143.6 171.2 Favored
323 2 A ILE 140 tt -151.0 149.1 Favored
324 2 A GLY 141 ? -53.8 132.8 Favored
325 2 A GLU 142 tt0 -61.5 -42.6 Favored
326 2 A ARG 143 OUTLIER -65.7 -33.7 Favored
327 2 A ALA 144 ? -68.5 -44.2 Favored
328 2 A ALA 145 ? -72.0 -43.1 Favored
329 2 A GLU 146 tt0 -57.4 -36.6 Favored
330 2 A GLY 147 ? -68.6 -52.9 Favored
331 2 A ALA 148 ? -167.7 154.8 Favored
332 2 A GLU 149 OUTLIER -83.1 10.1 Favored
333 2 A ASN 150 m-20 -88.9 -3.9 Favored
334 2 A GLY 151 ? -56.7 151.5 Favored
335 2 A GLN 152 tt0 -79.5 135.5 Favored
336 2 A VAL 153 t -83.4 112.1 Favored
337 2 A ALA 154 ? -74.9 115.5 Favored
338 2 A ILE 155 mt -92.8 115.2 Favored
339 2 A ILE 156 mm -98.8 116.2 Favored
340 2 A GLU 157 tt0 -97.2 101.5 Favored
341 2 A TYR 158 m-85 -75.6 89.7 Favored
342 2 A ARG 159 ttt85 -99.5 149.7 Favored
343 2 A ASP 160 p-10 -122.5 130.6 Favored
344 2 A VAL 161 p -125.1 109.4 Favored
345 2 A ASP 162 m-20 60.1 28.8 Favored
346 2 A GLY 163 ? 96.5 -17.1 Favored
347 2 A THR 164 m -81.3 112.2 Favored
348 2 A GLU 165 tt0 -71.8 103.3 Favored
349 2 A VAL 166 m -111.0 92.7 Favored
350 2 A PRO 167 Cg_endo -75.3 116.5 Favored
351 2 A THR 168 p -117.2 135.6 Favored
352 2 A LEU 169 tp -77.2 114.0 Favored
353 2 A MET 170 mmm -102.7 121.5 Favored
354 2 A LEU 171 mt -136.0 147.1 Favored
355 2 A VAL 172 p -73.0 131.2 Favored
356 2 A LYS 173 ttpt -53.6 -34.8 Favored
357 2 A GLU 174 tp10 -65.2 -18.4 Favored
358 2 A ALA 175 ? -127.4 15.9 Favored
359 2 A ILE 176 tp -131.5 119.0 Favored
360 2 A ILE 177 mm -107.4 113.7 Favored
361 2 A GLU 178 pt-20 -70.6 154.5 Favored
362 2 A GLU 179 tp10 -147.5 101.6 Favored
363 2 A LYS 180 mttp -83.5 94.5 Favored
364 2 A CYS 181 t -96.5 89.7 Favored
365 2 A LEU 182 pp -153.9 172.8 Favored
366 2 A GLU 183 mm-40 ? ? ?
367 3 A MET 1 ptt? ? ? ?
368 3 A LEU 2 mt -136.0 161.5 Favored
369 3 A ILE 3 mt -96.7 120.4 Favored
370 3 A TYR 4 m-85 -112.5 97.0 Favored
371 3 A LYS 5 ptmm? -107.4 127.2 Favored
372 3 A ASP 6 t70 -74.2 178.2 Favored
373 3 A ILE 7 mt -76.2 -38.7 Favored
374 3 A PHE 8 m-85 -111.7 -50.8 Favored
375 3 A THR 9 p -90.2 17.6 Favored
376 3 A ASP 10 p-10 -55.2 -26.6 Favored
377 3 A ASP 11 m-20 -49.5 -62.2 Allowed
378 3 A GLU 12 mt-10 -123.6 24.1 Favored
379 3 A LEU 13 tm? -59.4 -73.6 Allowed
380 3 A SER 14 m -149.7 151.9 Favored
381 3 A SER 15 m -155.8 111.9 Favored
382 3 A ASP 16 p-10 51.9 -90.1 OUTLIER
383 3 A SER 17 p -60.7 5.8 OUTLIER
384 3 A PHE 18 m-85 -100.4 146.9 Favored
385 3 A PRO 19 Cg_endo -91.4 173.1 Favored
386 3 A MET 20 ptt? -114.1 151.7 Favored
387 3 A LYS 21 tttt -149.4 97.5 Favored
388 3 A LEU 22 tp -91.7 122.0 Favored
389 3 A VAL 23 p -111.0 134.3 Favored
390 3 A ASP 24 t70 58.3 21.7 Favored
391 3 A ASP 25 t70 68.2 -9.3 Allowed
392 3 A LEU 26 tp -102.8 -52.6 Favored
393 3 A VAL 27 t -103.7 129.1 Favored
394 3 A TYR 28 t80 -83.3 112.8 Favored
395 3 A GLU 29 tt0 -96.8 121.6 Favored
396 3 A PHE 30 t80 -113.1 136.6 Favored
397 3 A LYS 31 OUTLIER -61.8 136.2 Favored
398 3 A GLY 32 ? -154.6 146.2 Favored
399 3 A LYS 33 ptmt -143.8 151.8 Favored
400 3 A HIS 34 t-80 -75.0 124.3 Favored
401 3 A VAL 35 m -143.5 160.6 Favored
402 3 A VAL 36 m -120.1 103.5 Favored
403 3 A ARG 37 mtp180 -101.1 155.7 Favored
404 3 A LYS 38 ttpp -135.5 161.8 Favored
405 3 A GLU 39 pt-20 -43.4 -32.4 Allowed
406 3 A GLY 40 ? -146.8 54.8 Allowed
407 3 A GLU 41 tt0 -164.0 150.7 Favored
408 3 A ILE 42 tp -163.6 87.4 OUTLIER
409 3 A VAL 43 m -122.1 -7.8 Favored
410 3 A LEU 44 mm? 58.0 75.5 Allowed
411 3 A ALA 45 ? -101.6 -13.5 Favored
412 3 A GLY 46 ? 79.4 87.8 Allowed
413 3 A SER 47 t -76.9 84.5 Favored
414 3 A ASN 48 t-20 -161.3 111.5 Allowed
415 3 A PRO 49 Cg_endo -70.8 -37.0 Favored
416 3 A SER 50 p -167.1 -179.8 Favored
417 3 A ALA 51 ? -69.3 92.7 Allowed
418 3 A GLU 52 pt-20 -169.1 -167.9 Allowed
419 3 A GLU 53 mt-10 -66.7 -39.3 Favored
420 3 A GLY 54 ? 83.2 18.1 Favored
421 3 A ALA 55 ? -82.7 87.0 Favored
422 3 A GLU 56 tp10 -58.8 115.8 Favored
423 3 A ASP 57 t70 62.6 45.8 Favored
424 3 A ASP 58 m-20 66.1 14.4 Favored
425 3 A GLY 59 ? -171.7 -130.4 Allowed
426 3 A SER 60 p 71.4 -23.4 Allowed
427 3 A ASP 61 t70 -74.0 80.7 Allowed
428 3 A GLU 62 tm-20 -175.1 -52.8 OUTLIER
429 3 A HIS 63 m-70 -76.5 -47.3 Favored
430 3 A VAL 64 t -79.2 97.8 Favored
431 3 A GLU 65 mt-10 -85.6 70.5 Favored
432 3 A ARG 66 ttp180 -96.5 139.2 Favored
433 3 A GLY 67 ? 140.7 -132.0 Favored
434 3 A ILE 68 OUTLIER -99.9 134.0 Favored
435 3 A ASP 69 t70 -36.8 -48.3 Allowed
436 3 A ILE 70 mm -50.3 -53.3 Favored
437 3 A VAL 71 t -80.8 -23.2 Favored
438 3 A LEU 72 mt -77.5 -38.1 Favored
439 3 A ASN 73 t-20 -79.5 -49.4 Favored
440 3 A HIS 74 OUTLIER -82.9 -21.4 Favored
441 3 A LYS 75 mtmm 63.1 67.0 Allowed
442 3 A LEU 76 mt -93.2 162.7 Favored
443 3 A VAL 77 p -113.1 135.7 Favored
444 3 A GLU 78 pt-20 -68.1 152.8 Favored
445 3 A MET 79 mtm -146.1 104.9 Favored
446 3 A ASN 80 m-80 -71.7 124.6 Favored
447 3 A CYS 81 m -56.3 -30.9 Favored
448 3 A TYR 82 m-85 -69.5 -45.5 Favored
449 3 A GLU 83 mm-40 -97.7 -28.2 Favored
450 3 A ASP 84 m-20 -102.0 19.5 Favored
451 3 A ALA 85 ? -52.5 -27.8 Favored
452 3 A SER 86 t -72.8 -55.5 Favored
453 3 A MET 87 mtt -64.1 -37.2 Favored
454 3 A PHE 88 t80 -54.0 -49.1 Favored
455 3 A LYS 89 OUTLIER -64.6 -34.9 Favored
456 3 A ALA 90 ? -63.7 -47.5 Favored
457 3 A TYR 91 m-85 -67.7 -32.7 Favored
458 3 A ILE 92 mm -67.3 -44.7 Favored
459 3 A LYS 93 tmmt? -60.6 -40.6 Favored
460 3 A LYS 94 tptt -63.3 -50.2 Favored
461 3 A PHE 95 t80 -56.5 -51.0 Favored
462 3 A MET 96 ptp -67.5 -40.3 Favored
463 3 A LYS 97 tptm -68.4 -38.7 Favored
464 3 A ASN 98 t30 -58.5 -55.7 Favored
465 3 A VAL 99 m -71.4 -40.0 Favored
466 3 A ILE 100 mt -73.2 -45.8 Favored
467 3 A ASP 101 t70 -56.0 -38.5 Favored
468 3 A HIS 102 t-80 -56.3 -58.1 Favored
469 3 A MET 103 mmm -70.3 -26.7 Favored
470 3 A GLU 104 tt0 -64.3 -45.9 Favored
471 3 A LYS 105 pttt -89.3 -9.6 Favored
472 3 A ASN 106 OUTLIER -90.2 -22.9 Favored
473 3 A ASN 107 m-80 -124.9 -44.0 Allowed
474 3 A ARG 108 OUTLIER 60.0 25.6 Favored
475 3 A ASP 109 t70 -119.1 126.6 Favored
476 3 A LYS 110 pttm -62.2 -36.0 Favored
477 3 A ALA 111 ? -73.3 -23.3 Favored
478 3 A ASP 112 t70 -81.1 -60.6 Favored
479 3 A VAL 113 m -67.5 -35.5 Favored
480 3 A ASP 114 t70 -80.5 -33.9 Favored
481 3 A ALA 115 ? -73.7 -33.3 Favored
482 3 A PHE 116 t80 -71.5 -40.6 Favored
483 3 A LYS 117 tttt -62.3 -38.6 Favored
484 3 A LYS 118 tmtp? -66.8 -40.4 Favored
485 3 A LYS 119 tppt? -71.7 -37.2 Favored
486 3 A ILE 120 mm -65.0 -47.8 Favored
487 3 A GLN 121 tt0 -60.1 -37.8 Favored
488 3 A GLY 122 ? -59.5 -51.5 Favored
489 3 A TRP 123 t-105 -65.8 -51.2 Favored
490 3 A VAL 124 m -70.9 -41.7 Favored
491 3 A VAL 125 t -66.6 -32.3 Favored
492 3 A SER 126 t -70.6 -32.6 Favored
493 3 A LEU 127 tp -76.0 -40.4 Favored
494 3 A LEU 128 mt -77.7 1.7 Favored
495 3 A ALA 129 ? -73.2 130.0 Favored
496 3 A LYS 130 mtmt -68.1 -6.5 Favored
497 3 A ASP 131 t70 -68.5 -30.3 Favored
498 3 A ARG 132 mtt180 -81.3 -33.2 Favored
499 3 A PHE 133 m-85 -67.0 -20.2 Favored
500 3 A LYS 134 pttm -62.0 -30.9 Favored
501 3 A ASN 135 p-10 -127.6 25.5 Favored
502 3 A LEU 136 mt -100.3 144.3 Favored
503 3 A ALA 137 ? -139.4 121.1 Favored
504 3 A PHE 138 m-85 -93.6 134.3 Favored
505 3 A PHE 139 m-85 -130.1 141.0 Favored
506 3 A ILE 140 tt -120.9 159.2 Favored
507 3 A GLY 141 ? -57.2 129.7 Favored
508 3 A GLU 142 tt0 -57.3 -41.5 Favored
509 3 A ARG 143 mtt180 -69.5 -38.5 Favored
510 3 A ALA 144 ? -65.3 -31.4 Favored
511 3 A ALA 145 ? -79.2 5.4 Favored
512 3 A GLU 146 mt-10 -89.8 -10.3 Favored
513 3 A GLY 147 ? -153.6 -55.5 OUTLIER
514 3 A ALA 148 ? -74.8 83.3 Favored
515 3 A GLU 149 pt-20 -81.9 -2.2 Favored
516 3 A ASN 150 m-80 -132.1 78.8 Allowed
517 3 A GLY 151 ? -123.9 -166.6 Favored
518 3 A GLN 152 tt0 -101.6 142.1 Favored
519 3 A VAL 153 t -109.4 131.9 Favored
520 3 A ALA 154 ? -69.7 109.5 Favored
521 3 A ILE 155 mt -85.6 105.5 Favored
522 3 A ILE 156 mm -103.6 119.6 Favored
523 3 A GLU 157 pt-20 -124.9 127.8 Favored
524 3 A TYR 158 m-85 -76.0 110.6 Favored
525 3 A ARG 159 mmt85 -101.9 172.8 Favored
526 3 A ASP 160 m-20 -122.6 119.1 Favored
527 3 A VAL 161 p -122.7 118.5 Favored
528 3 A ASP 162 m-20 67.8 -67.6 Allowed
529 3 A GLY 163 ? -174.8 35.7 Allowed
530 3 A THR 164 t -141.9 158.2 Favored
531 3 A GLU 165 mm-40 -78.8 114.5 Favored
532 3 A VAL 166 p -117.7 89.1 Favored
533 3 A PRO 167 Cg_endo -82.6 122.5 Favored
534 3 A THR 168 p -105.4 140.0 Favored
535 3 A LEU 169 tp -82.4 123.3 Favored
536 3 A MET 170 OUTLIER -114.0 123.1 Favored
537 3 A LEU 171 mt -141.0 145.5 Favored
538 3 A VAL 172 p -76.8 134.9 Favored
539 3 A LYS 173 ttpm? -56.8 -36.8 Favored
540 3 A GLU 174 mp0 -68.5 -25.9 Favored
541 3 A ALA 175 ? -97.6 -1.9 Favored
542 3 A ILE 176 mm -102.5 132.1 Favored
543 3 A ILE 177 mm -93.2 111.8 Favored
544 3 A GLU 178 tm-20 -76.3 104.3 Favored
545 3 A GLU 179 tp10 -104.0 111.1 Favored
546 3 A LYS 180 OUTLIER -79.4 129.7 Favored
547 3 A CYS 181 t -100.8 104.3 Favored
548 3 A LEU 182 mm? -125.3 161.7 Favored
549 3 A GLU 183 tt0 ? ? ?
550 4 A MET 1 mmm ? ? ?
551 4 A LEU 2 mt -84.3 123.8 Favored
552 4 A ILE 3 pt -99.4 128.6 Favored
553 4 A TYR 4 m-85 -123.0 124.2 Favored
554 4 A LYS 5 pttm -145.8 147.1 Favored
555 4 A ASP 6 t70 -101.2 124.1 Favored
556 4 A ILE 7 pt -66.6 -26.9 Favored
557 4 A PHE 8 m-85 -80.6 -61.0 Favored
558 4 A THR 9 m -125.5 -46.5 Allowed
559 4 A ASP 10 t0 -101.4 24.1 Favored
560 4 A ASP 11 p-10 -50.8 -2.3 OUTLIER
561 4 A GLU 12 mt-10 -99.6 -41.5 Favored
562 4 A LEU 13 tp 36.5 -88.7 OUTLIER
563 4 A SER 14 m -157.3 134.5 Favored
564 4 A SER 15 m -130.7 97.9 Favored
565 4 A ASP 16 t70 -166.5 -90.6 OUTLIER
566 4 A SER 17 m -170.2 78.7 Allowed
567 4 A PHE 18 m-85 -112.4 139.1 Favored
568 4 A PRO 19 Cg_exo -53.8 117.6 Favored
569 4 A MET 20 OUTLIER -114.9 134.3 Favored
570 4 A LYS 21 ttmt -137.2 140.2 Favored
571 4 A LEU 22 tp -131.8 108.1 Favored
572 4 A VAL 23 p -100.3 133.6 Favored
573 4 A ASP 24 t70 59.9 14.7 Favored