data_5E1A

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  5E1A
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    5E1A
_pdbx_vrpt_summary.PDB_deposition_date         2015-09-29
_pdbx_vrpt_summary.PDB_revision_number         5
_pdbx_vrpt_summary.PDB_revision_date           2023-09-27
_pdbx_vrpt_summary.report_creation_date        2023-09-21:03:15
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,xtriage,eds,mogul,percentiles,writexml,writecif,writepdf
_pdbx_vrpt_summary.ligands_for_buster_report   N
#
loop_
_pdbx_vrpt_entity.id
_pdbx_vrpt_entity.type
_pdbx_vrpt_entity.description
1  polymer      "antibody Fab fragment heavy chain"  
2  polymer      "antibody Fab fragment light chain"  
3  polymer      "pH-gated potassium channel KcsA"  
4  non-polymer  "POTASSIUM ION"  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
C  3  
D  4  
E  4  
F  4  
G  4  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all  x-ray  
2  3.4  x-ray  
#
loop_
_pdbx_vrpt_percentile_type.id
_pdbx_vrpt_percentile_type.type
1  all_atom_clashscore           
2  Ramachandran_outlier_percent  
3  rotamer_outliers_percent      
4  RSRZ_outliers_percent         
5  R_value_R_free                
#
loop_
_pdbx_vrpt_percentile_conditions.id
_pdbx_vrpt_percentile_conditions.percentile_list_id
_pdbx_vrpt_percentile_conditions.type_id
_pdbx_vrpt_percentile_conditions.rank
_pdbx_vrpt_percentile_conditions.number_entries_total
_pdbx_vrpt_percentile_conditions.res_high
_pdbx_vrpt_percentile_conditions.res_low
 1  1  1   84.47  141614     ?     ?  
 2  2  1   95.73    1055  3.32  3.48  
 3  1  2  100.00  138981     ?     ?  
 4  2  2  100.00    1038  3.32  3.48  
 5  1  3   83.60  138945     ?     ?  
 6  2  3   92.39    1038  3.32  3.48  
 7  1  4    1.77  127900     ?     ?  
 8  2  4    2.39    2173  3.30  3.50  
 9  1  5   27.11  130704     ?     ?  
10  2  5   73.05    1026  3.32  3.48  
#
loop_
_pdbx_vrpt_percentile_entity_view.ordinal
_pdbx_vrpt_percentile_entity_view.conditions_id
_pdbx_vrpt_percentile_entity_view.type_id
_pdbx_vrpt_percentile_entity_view.label_asym_id
_pdbx_vrpt_percentile_entity_view.PDB_model_num
_pdbx_vrpt_percentile_entity_view.entity_id
_pdbx_vrpt_percentile_entity_view.auth_asym_id
_pdbx_vrpt_percentile_entity_view.rank
 1  3  2  A  1  1  A  100.00  
 2  4  2  A  1  1  A  100.00  
 3  5  3  A  1  1  A   88.33  
 4  6  3  A  1  1  A   94.22  
 5  7  4  A  1  1  A    0.21  
 6  8  4  A  1  1  A    0.18  
 7  3  2  B  1  2  B  100.00  
 8  4  2  B  1  2  B  100.00  
 9  5  3  B  1  2  B  100.00  
10  6  3  B  1  2  B  100.00  
11  7  4  B  1  2  B   31.09  
12  8  4  B  1  2  B   31.34  
13  3  2  C  1  3  C  100.00  
14  4  2  C  1  3  C  100.00  
15  5  3  C  1  3  C   43.14  
16  6  3  C  1  3  C   69.85  
17  7  4  C  1  3  C    9.56  
18  8  4  C  1  3  C   11.32  
#
loop_
_pdbx_vrpt_summary_entity_geometry.ordinal
_pdbx_vrpt_summary_entity_geometry.PDB_model_num
_pdbx_vrpt_summary_entity_geometry.entity_id
_pdbx_vrpt_summary_entity_geometry.label_asym_id
_pdbx_vrpt_summary_entity_geometry.auth_asym_id
_pdbx_vrpt_summary_entity_geometry.angles_RMSZ
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ
1  1  1  A  A  0.41  0.23  1692  2312  
2  1  2  B  B  0.39  0.22  1686  2287  
3  1  3  C  C  0.40  0.23   765  1050  
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       0.67
_pdbx_vrpt_summary_geometry.clashscore                     2.25
_pdbx_vrpt_summary_geometry.num_H_reduce                   3951
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 4143
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.22
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                5649
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.40
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            117.661
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         150.152
_pdbx_vrpt_summary_diffraction.I_over_sigma              1.19(3.40A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        12268
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.287
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.475
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.303
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.892
_pdbx_vrpt_summary_diffraction.twin_fraction             -k,-h,-l:0.044
_pdbx_vrpt_summary_diffraction.DCC_R                     0.25
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.26
_pdbx_vrpt_summary_diffraction.EDS_R                     0.27
_pdbx_vrpt_summary_diffraction.EDS_res_high              3.40
_pdbx_vrpt_summary_diffraction.EDS_res_low               48.95
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[153.508,153.508,142.984,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.070
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 3.57% of the height of the origin peak. No significant pseudotranslation is detected."
_pdbx_vrpt_summary_diffraction.B_factor_type             FULL
_pdbx_vrpt_summary_diffraction.acentric_outliers         0
_pdbx_vrpt_summary_diffraction.centric_outliers          0
_pdbx_vrpt_summary_diffraction.data_completeness         99.86
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      1223
_pdbx_vrpt_summary_diffraction.percent_free_reflections  9.97
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     15.20
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       3.40
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        48.95
_pdbx_vrpt_summary_diffraction.PDB_R                     0.25
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.26
#
loop_
_pdbx_vrpt_model_instance.id
_pdbx_vrpt_model_instance.PDB_model_num
_pdbx_vrpt_model_instance.entity_id
_pdbx_vrpt_model_instance.label_asym_id
_pdbx_vrpt_model_instance.label_seq_id
_pdbx_vrpt_model_instance.label_comp_id
_pdbx_vrpt_model_instance.auth_asym_id
_pdbx_vrpt_model_instance.auth_seq_id
_pdbx_vrpt_model_instance.label_alt_id
_pdbx_vrpt_model_instance.PDB_ins_code
_pdbx_vrpt_model_instance.count_clashes
  1  1  1  A    1  GLN  A     1  .  ?        ?  
  2  1  1  A    2  VAL  A     2  .  ?        ?  
  3  1  1  A    3  GLN  A     3  .  ?        ?  
  4  1  1  A    4  LEU  A     4  .  ?        ?  
  5  1  1  A    5  GLN  A     5  .  ?        ?  
  6  1  1  A    6  GLN  A     6  .  ?        ?  
  7  1  1  A    7  PRO  A     7  .  ?        ?  
  8  1  1  A    8  GLY  A     8  .  ?        ?  
  9  1  1  A    9  ALA  A     9  .  ?        ?  
 10  1  1  A   10  GLU  A    10  .  ?        ?  
 11  1  1  A   11  LEU  A    11  .  ?        ?  
 12  1  1  A   12  VAL  A    12  .  ?        ?  
 13  1  1  A   13  LYS  A    13  .  ?        ?  
 14  1  1  A   14  PRO  A    14  .  ?        ?  
 15  1  1  A   15  GLY  A    15  .  ?        ?  
 16  1  1  A   16  ALA  A    16  .  ?        ?  
 17  1  1  A   17  SER  A    17  .  ?        ?  
 18  1  1  A   18  VAL  A    18  .  ?        ?  
 19  1  1  A   19  LYS  A    19  .  ?        ?  
 20  1  1  A   20  LEU  A    20  .  ?        1  
 21  1  1  A   21  SER  A    21  .  ?        ?  
 22  1  1  A   22  CYS  A    22  .  ?        ?  
 23  1  1  A   23  LYS  A    23  .  ?        ?  
 24  1  1  A   24  ALA  A    24  .  ?        ?  
 25  1  1  A   25  SER  A    25  .  ?        ?  
 26  1  1  A   26  GLY  A    26  .  ?        ?  
 27  1  1  A   27  TYR  A    27  .  ?        ?  
 28  1  1  A   28  THR  A    28  .  ?        ?  
 29  1  1  A   29  PHE  A    29  .  ?        ?  
 30  1  1  A   30  THR  A    30  .  ?        ?  
 31  1  1  A   31  SER  A    31  .  ?        ?  
 32  1  1  A   32  ASP  A    32  .  ?        ?  
 33  1  1  A   33  TRP  A    33  .  ?        ?  
 34  1  1  A   34  ILE  A    34  .  ?        ?  
 35  1  1  A   35  HIS  A    35  .  ?        ?  
 36  1  1  A   36  TRP  A    36  .  ?        ?  
 37  1  1  A   37  VAL  A    37  .  ?        ?  
 38  1  1  A   38  LYS  A    38  .  ?        1  
 39  1  1  A   39  GLN  A    39  .  ?        ?  
 40  1  1  A   40  ARG  A    40  .  ?        ?  
 41  1  1  A   41  PRO  A    41  .  ?        ?  
 42  1  1  A   42  GLY  A    42  .  ?        ?  
 43  1  1  A   43  HIS  A    43  .  ?        ?  
 44  1  1  A   44  GLY  A    44  .  ?        ?  
 45  1  1  A   45  LEU  A    45  .  ?        ?  
 46  1  1  A   46  GLU  A    46  .  ?        ?  
 47  1  1  A   47  TRP  A    47  .  ?        ?  
 48  1  1  A   48  ILE  A    48  .  ?        1  
 49  1  1  A   49  GLY  A    49  .  ?        ?  
 50  1  1  A   50  GLU  A    50  .  ?        ?  
 51  1  1  A   51  ILE  A    51  .  ?        ?  
 52  1  1  A   52  ILE  A    52  .  ?        ?  
 53  1  1  A   53  PRO  A    53  .  ?        ?  
 54  1  1  A   54  SER  A    54  .  ?        ?  
 55  1  1  A   55  TYR  A    55  .  ?        ?  
 56  1  1  A   56  GLY  A    56  .  ?        ?  
 57  1  1  A   57  ARG  A    57  .  ?        ?  
 58  1  1  A   58  ALA  A    58  .  ?        ?  
 59  1  1  A   59  ASN  A    59  .  ?        ?  
 60  1  1  A   60  TYR  A    60  .  ?        ?  
 61  1  1  A   61  ASN  A    61  .  ?        ?  
 62  1  1  A   62  GLU  A    62  .  ?        ?  
 63  1  1  A   63  LYS  A    63  .  ?        ?  
 64  1  1  A   64  ILE  A    64  .  ?        ?  
 65  1  1  A   65  GLN  A    65  .  ?        ?  
 66  1  1  A   66  LYS  A    66  .  ?        ?  
 67  1  1  A   67  LYS  A    67  .  ?        ?  
 68  1  1  A   68  ALA  A    68  .  ?        ?  
 69  1  1  A   69  THR  A    69  .  ?        ?  
 70  1  1  A   70  LEU  A    70  .  ?        ?  
 71  1  1  A   71  THR  A    71  .  ?        ?  
 72  1  1  A   72  ALA  A    72  .  ?        ?  
 73  1  1  A   73  ASP  A    73  .  ?        ?  
 74  1  1  A   74  LYS  A    74  .  ?        ?  
 75  1  1  A   75  SER  A    75  .  ?        ?  
 76  1  1  A   76  SER  A    76  .  ?        ?  
 77  1  1  A   77  SER  A    77  .  ?        ?  
 78  1  1  A   78  THR  A    78  .  ?        ?  
 79  1  1  A   79  ALA  A    79  .  ?        ?  
 80  1  1  A   80  PHE  A    80  .  ?        ?  
 81  1  1  A   81  MET  A    81  .  ?        ?  
 82  1  1  A   82  GLN  A    82  .  ?        ?  
 83  1  1  A   83  LEU  A    83  .  ?        1  
 84  1  1  A   84  SER  A    84  .  ?        ?  
 85  1  1  A   85  SER  A    85  .  ?        ?  
 86  1  1  A   86  LEU  A    86  .  ?        1  
 87  1  1  A   87  THR  A    87  .  ?        ?  
 88  1  1  A   88  SER  A    88  .  ?        ?  
 89  1  1  A   89  GLU  A    89  .  ?        ?  
 90  1  1  A   90  ASP  A    90  .  ?        ?  
 91  1  1  A   91  SER  A    91  .  ?        ?  
 92  1  1  A   92  ALA  A    92  .  ?        ?  
 93  1  1  A   93  VAL  A    93  .  ?        ?  
 94  1  1  A   94  TYR  A    94  .  ?        ?  
 95  1  1  A   95  TYR  A    95  .  ?        ?  
 96  1  1  A   96  CYS  A    96  .  ?        ?  
 97  1  1  A   97  ALA  A    97  .  ?        ?  
 98  1  1  A   98  ARG  A    98  .  ?        ?  
 99  1  1  A   99  GLU  A    99  .  ?        ?  
100  1  1  A  100  ARG  A   100  .  ?        ?  
101  1  1  A  101  GLY  A   101  .  ?        ?  
102  1  1  A  102  ASP  A   102  .  ?        ?  
103  1  1  A  103  GLY  A   103  .  ?        ?  
104  1  1  A  104  TYR  A   104  .  ?        ?  
105  1  1  A  105  PHE  A   105  .  ?        ?  
106  1  1  A  106  ALA  A   106  .  ?        ?  
107  1  1  A  107  VAL  A   107  .  ?        ?  
108  1  1  A  108  TRP  A   108  .  ?        ?  
109  1  1  A  109  GLY  A   109  .  ?        ?  
110  1  1  A  110  ALA  A   110  .  ?        ?  
111  1  1  A  111  GLY  A   111  .  ?        ?  
112  1  1  A  112  THR  A   112  .  ?        1  
113  1  1  A  113  THR  A   113  .  ?        ?  
114  1  1  A  114  VAL  A   114  .  ?        ?  
115  1  1  A  115  THR  A   115  .  ?        ?  
116  1  1  A  116  VAL  A   116  .  ?        ?  
117  1  1  A  117  SER  A   117  .  ?        ?  
118  1  1  A  118  SER  A   118  .  ?        ?  
119  1  1  A  119  ALA  A   119  .  ?        ?  
120  1  1  A  120  LYS  A   120  .  ?        ?  
121  1  1  A  121  THR  A   121  .  ?        ?  
122  1  1  A  122  THR  A   122  .  ?        ?  
123  1  1  A  123  PRO  A   123  .  ?        ?  
124  1  1  A  124  PRO  A   124  .  ?        1  
125  1  1  A  125  SER  A   125  .  ?        ?  
126  1  1  A  126  VAL  A   126  .  ?        ?  
127  1  1  A  127  TYR  A   127  .  ?        ?  
128  1  1  A  128  PRO  A   128  .  ?        ?  
129  1  1  A  129  LEU  A   129  .  ?        ?  
130  1  1  A  130  ALA  A   130  .  ?        ?  
131  1  1  A  131  PRO  A   131  .  ?        ?  
132  1  1  A  132  GLY  A   132  .  ?        ?  
133  1  1  A  133  SER  A   133  .  ?        ?  
134  1  1  A  134  ALA  A   134  .  ?        ?  
135  1  1  A  135  ALA  A   135  .  ?        ?  
136  1  1  A  136  GLN  A   136  .  ?        ?  
137  1  1  A  137  THR  A   137  .  ?        ?  
138  1  1  A  138  ASN  A   138  .  ?        ?  
139  1  1  A  139  SER  A   139  .  ?        ?  
140  1  1  A  140  MET  A   140  .  ?        ?  
141  1  1  A  141  VAL  A   141  .  ?        ?  
142  1  1  A  142  THR  A   142  .  ?        ?  
143  1  1  A  143  LEU  A   143  .  ?        ?  
144  1  1  A  144  GLY  A   144  .  ?        ?  
145  1  1  A  145  CYS  A   145  .  ?        ?  
146  1  1  A  146  LEU  A   146  .  ?        ?  
147  1  1  A  147  VAL  A   147  .  ?        ?  
148  1  1  A  148  LYS  A   148  .  ?        ?  
149  1  1  A  149  GLY  A   149  .  ?        ?  
150  1  1  A  150  TYR  A   150  .  ?        1  
151  1  1  A  151  PHE  A   151  .  ?        ?  
152  1  1  A  152  PRO  A   152  .  ?        ?  
153  1  1  A  153  GLU  A   153  .  ?        ?  
154  1  1  A  154  PRO  A   154  .  ?        ?  
155  1  1  A  155  VAL  A   155  .  ?        ?  
156  1  1  A  156  THR  A   156  .  ?        ?  
157  1  1  A  157  VAL  A   157  .  ?        ?  
158  1  1  A  158  THR  A   158  .  ?        ?  
159  1  1  A  159  TRP  A   159  .  ?        1  
160  1  1  A  160  ASN  A   160  .  ?        ?  
161  1  1  A  161  SER  A   161  .  ?        ?  
162  1  1  A  162  GLY  A   162  .  ?        ?  
163  1  1  A  163  SER  A   163  .  ?        ?  
164  1  1  A  164  LEU  A   164  .  ?        ?  
165  1  1  A  165  SER  A   165  .  ?        ?  
166  1  1  A  166  SER  A   166  .  ?        ?  
167  1  1  A  167  GLY  A   167  .  ?        ?  
168  1  1  A  168  VAL  A   168  .  ?        ?  
169  1  1  A  169  HIS  A   169  .  ?        ?  
170  1  1  A  170  THR  A   170  .  ?        ?  
171  1  1  A  171  PHE  A   171  .  ?        ?  
172  1  1  A  172  PRO  A   172  .  ?        ?  
173  1  1  A  173  ALA  A   173  .  ?        ?  
174  1  1  A  174  VAL  A   174  .  ?        ?  
175  1  1  A  175  LEU  A   175  .  ?        ?  
176  1  1  A  176  GLN  A   176  .  ?        ?  
177  1  1  A  177  SER  A   177  .  ?        ?  
178  1  1  A  178  ASP  A   178  .  ?        ?  
179  1  1  A  179  LEU  A   179  .  ?        ?  
180  1  1  A  180  TYR  A   180  .  ?        ?  
181  1  1  A  181  THR  A   181  .  ?        ?  
182  1  1  A  182  LEU  A   182  .  ?        ?  
183  1  1  A  183  SER  A   183  .  ?        ?  
184  1  1  A  184  SER  A   184  .  ?        ?  
185  1  1  A  185  SER  A   185  .  ?        ?  
186  1  1  A  186  VAL  A   186  .  ?        ?  
187  1  1  A  187  THR  A   187  .  ?        ?  
188  1  1  A  188  VAL  A   188  .  ?        ?  
189  1  1  A  189  PRO  A   189  .  ?        ?  
190  1  1  A  190  SER  A   190  .  ?        ?  
191  1  1  A  191  SER  A   191  .  ?        ?  
192  1  1  A  192  SER  A   192  .  ?        ?  
193  1  1  A  193  TRP  A   193  .  ?        ?  
194  1  1  A  194  PRO  A   194  .  ?        ?  
195  1  1  A  195  SER  A   195  .  ?        ?  
196  1  1  A  196  GLU  A   196  .  ?        ?  
197  1  1  A  197  THR  A   197  .  ?        ?  
198  1  1  A  198  VAL  A   198  .  ?        ?  
199  1  1  A  199  THR  A   199  .  ?        ?  
200  1  1  A  200  CYS  A   200  .  ?        1  
201  1  1  A  201  ASN  A   201  .  ?        ?  
202  1  1  A  202  VAL  A   202  .  ?        ?  
203  1  1  A  203  ALA  A   203  .  ?        ?  
204  1  1  A  204  HIS  A   204  .  ?        ?  
205  1  1  A  205  PRO  A   205  .  ?        ?  
206  1  1  A  206  ALA  A   206  .  ?        ?  
207  1  1  A  207  SER  A   207  .  ?        ?  
208  1  1  A  208  SER  A   208  .  ?        ?  
209  1  1  A  209  THR  A   209  .  ?        ?  
210  1  1  A  210  LYS  A   210  .  ?        ?  
211  1  1  A  211  VAL  A   211  .  ?        ?  
212  1  1  A  212  ASP  A   212  .  ?        ?  
213  1  1  A  213  LYS  A   213  .  ?        ?  
214  1  1  A  214  LYS  A   214  .  ?        ?  
215  1  1  A  215  ILE  A   215  .  ?        ?  
216  1  1  A  216  VAL  A   216  .  ?        ?  
217  1  1  A  217  PRO  A   217  .  ?        ?  
218  1  1  A  218  ARG  A   218  .  ?        ?  
219  1  1  A  219  ASP  A   219  .  ?        ?  
220  1  2  B    1  ASP  B     1  .  ?        ?  
221  1  2  B    2  ILE  B     2  .  ?        1  
222  1  2  B    3  LEU  B     3  .  ?        ?  
223  1  2  B    4  LEU  B     4  .  ?        ?  
224  1  2  B    5  THR  B     5  .  ?        ?  
225  1  2  B    6  GLN  B     6  .  ?        ?  
226  1  2  B    7  SER  B     7  .  ?        ?  
227  1  2  B    8  PRO  B     8  .  ?        ?  
228  1  2  B    9  ALA  B     9  .  ?        ?  
229  1  2  B   10  ILE  B    10  .  ?        ?  
230  1  2  B   11  LEU  B    11  .  ?        ?  
231  1  2  B   12  SER  B    12  .  ?        ?  
232  1  2  B   13  VAL  B    13  .  ?        ?  
233  1  2  B   14  SER  B    14  .  ?        ?  
234  1  2  B   15  PRO  B    15  .  ?        ?  
235  1  2  B   16  GLY  B    16  .  ?        ?  
236  1  2  B   17  GLU  B    17  .  ?        ?  
237  1  2  B   18  ARG  B    18  .  ?        ?  
238  1  2  B   19  VAL  B    19  .  ?        1  
239  1  2  B   20  SER  B    20  .  ?        ?  
240  1  2  B   21  PHE  B    21  .  ?        ?  
241  1  2  B   22  SER  B    22  .  ?        ?  
242  1  2  B   23  CYS  B    23  .  ?        ?  
243  1  2  B   24  ARG  B    24  .  ?        ?  
244  1  2  B   25  ALA  B    25  .  ?        ?  
245  1  2  B   26  SER  B    26  .  ?        ?  
246  1  2  B   27  GLN  B    27  .  ?        ?  
247  1  2  B   28  SER  B    28  .  ?        ?  
248  1  2  B   29  ILE  B    29  .  ?        ?  
249  1  2  B   30  GLY  B    30  .  ?        ?  
250  1  2  B   31  THR  B    31  .  ?        ?  
251  1  2  B   32  ASP  B    32  .  ?        ?  
252  1  2  B   33  ILE  B    33  .  ?        ?  
253  1  2  B   34  HIS  B    34  .  ?        ?  
254  1  2  B   35  TRP  B    35  .  ?        ?  
255  1  2  B   36  TYR  B    36  .  ?        ?  
256  1  2  B   37  GLN  B    37  .  ?        1  
257  1  2  B   38  GLN  B    38  .  ?        ?  
258  1  2  B   39  ARG  B    39  .  ?        1  
259  1  2  B   40  THR  B    40  .  ?        ?  
260  1  2  B   41  ASN  B    41  .  ?        ?  
261  1  2  B   42  GLY  B    42  .  ?        ?  
262  1  2  B   43  SER  B    43  .  ?        ?  
263  1  2  B   44  PRO  B    44  .  ?        ?  
264  1  2  B   45  ARG  B    45  .  ?        ?  
265  1  2  B   46  LEU  B    46  .  ?        ?  
266  1  2  B   47  LEU  B    47  .  ?        1  
267  1  2  B   48  ILE  B    48  .  ?        ?  
268  1  2  B   49  LYS  B    49  .  ?        ?  
269  1  2  B   50  TYR  B    50  .  ?        ?  
270  1  2  B   51  ALA  B    51  .  ?        ?  
271  1  2  B   52  SER  B    52  .  ?        ?  
272  1  2  B   53  GLU  B    53  .  ?        ?  
273  1  2  B   54  SER  B    54  .  ?        ?  
274  1  2  B   55  ILE  B    55  .  ?        ?  
275  1  2  B   56  SER  B    56  .  ?        ?  
276  1  2  B   57  GLY  B    57  .  ?        ?  
277  1  2  B   58  ILE  B    58  .  ?        ?  
278  1  2  B   59  PRO  B    59  .  ?        ?  
279  1  2  B   60  SER  B    60  .  ?        ?  
280  1  2  B   61  ARG  B    61  .  ?        1  
281  1  2  B   62  PHE  B    62  .  ?        ?  
282  1  2  B   63  SER  B    63  .  ?        ?  
283  1  2  B   64  GLY  B    64  .  ?        ?  
284  1  2  B   65  SER  B    65  .  ?        ?  
285  1  2  B   66  GLY  B    66  .  ?        ?  
286  1  2  B   67  SER  B    67  .  ?        ?  
287  1  2  B   68  GLY  B    68  .  ?        ?  
288  1  2  B   69  THR  B    69  .  ?        ?  
289  1  2  B   70  ASP  B    70  .  ?        ?  
290  1  2  B   71  PHE  B    71  .  ?        ?  
291  1  2  B   72  THR  B    72  .  ?        ?  
292  1  2  B   73  LEU  B    73  .  ?        ?  
293  1  2  B   74  SER  B    74  .  ?        ?  
294  1  2  B   75  ILE  B    75  .  ?        1  
295  1  2  B   76  ASN  B    76  .  ?        ?  
296  1  2  B   77  SER  B    77  .  ?        ?  
297  1  2  B   78  VAL  B    78  .  ?        ?  
298  1  2  B   79  GLU  B    79  .  ?        ?  
299  1  2  B   80  SER  B    80  .  ?        ?  
300  1  2  B   81  GLU  B    81  .  ?        ?  
301  1  2  B   82  ASP  B    82  .  ?        1  
302  1  2  B   83  ILE  B    83  .  ?        ?  
303  1  2  B   84  ALA  B    84  .  ?        1  
304  1  2  B   85  ASN  B    85  .  ?        ?  
305  1  2  B   86  TYR  B    86  .  ?        ?  
306  1  2  B   87  TYR  B    87  .  ?        ?  
307  1  2  B   88  CYS  B    88  .  ?        ?  
308  1  2  B   89  GLN  B    89  .  ?        ?  
309  1  2  B   90  GLN  B    90  .  ?        ?  
310  1  2  B   91  SER  B    91  .  ?        ?  
311  1  2  B   92  ASN  B    92  .  ?        ?  
312  1  2  B   93  ARG  B    93  .  ?        2  
313  1  2  B   94  TRP  B    94  .  ?        ?  
314  1  2  B   95  PRO  B    95  .  ?        ?  
315  1  2  B   96  PHE  B    96  .  ?        ?  
316  1  2  B   97  THR  B    97  .  ?        ?  
317  1  2  B   98  PHE  B    98  .  ?        ?  
318  1  2  B   99  GLY  B    99  .  ?        ?  
319  1  2  B  100  SER  B   100  .  ?        ?  
320  1  2  B  101  GLY  B   101  .  ?        ?  
321  1  2  B  102  THR  B   102  .  ?        ?  
322  1  2  B  103  LYS  B   103  .  ?        ?  
323  1  2  B  104  LEU  B   104  .  ?        ?  
324  1  2  B  105  GLU  B   105  .  ?        ?  
325  1  2  B  106  ILE  B   106  .  ?        ?  
326  1  2  B  107  LYS  B   107  .  ?        ?  
327  1  2  B  108  ARG  B   108  .  ?        ?  
328  1  2  B  109  ALA  B   109  .  ?        ?  
329  1  2  B  110  ASP  B   110  .  ?        ?  
330  1  2  B  111  ALA  B   111  .  ?        ?  
331  1  2  B  112  ALA  B   112  .  ?        ?  
332  1  2  B  113  PRO  B   113  .  ?        ?  
333  1  2  B  114  THR  B   114  .  ?        ?  
334  1  2  B  115  VAL  B   115  .  ?        1  
335  1  2  B  116  SER  B   116  .  ?        ?  
336  1  2  B  117  ILE  B   117  .  ?        ?  
337  1  2  B  118  PHE  B   118  .  ?        1  
338  1  2  B  119  PRO  B   119  .  ?        1  
339  1  2  B  120  PRO  B   120  .  ?        ?  
340  1  2  B  121  SER  B   121  .  ?        ?  
341  1  2  B  122  SER  B   122  .  ?        ?  
342  1  2  B  123  GLU  B   123  .  ?        ?  
343  1  2  B  124  GLN  B   124  .  ?        ?  
344  1  2  B  125  LEU  B   125  .  ?        ?  
345  1  2  B  126  THR  B   126  .  ?        ?  
346  1  2  B  127  SER  B   127  .  ?        ?  
347  1  2  B  128  GLY  B   128  .  ?        ?  
348  1  2  B  129  GLY  B   129  .  ?        ?  
349  1  2  B  130  ALA  B   130  .  ?        ?  
350  1  2  B  131  SER  B   131  .  ?        ?  
351  1  2  B  132  VAL  B   132  .  ?        ?  
352  1  2  B  133  VAL  B   133  .  ?        ?  
353  1  2  B  134  CYS  B   134  .  ?        ?  
354  1  2  B  135  PHE  B   135  .  ?        1  
355  1  2  B  136  LEU  B   136  .  ?        ?  
356  1  2  B  137  ASN  B   137  .  ?        ?  
357  1  2  B  138  ASN  B   138  .  ?        ?  
358  1  2  B  139  PHE  B   139  .  ?        ?  
359  1  2  B  140  TYR  B   140  .  ?        ?  
360  1  2  B  141  PRO  B   141  .  ?        ?  
361  1  2  B  142  LYS  B   142  .  ?        ?  
362  1  2  B  143  ASP  B   143  .  ?        ?  
363  1  2  B  144  ILE  B   144  .  ?        ?  
364  1  2  B  145  ASN  B   145  .  ?        ?  
365  1  2  B  146  VAL  B   146  .  ?        ?  
366  1  2  B  147  LYS  B   147  .  ?        ?  
367  1  2  B  148  TRP  B   148  .  ?        ?  
368  1  2  B  149  LYS  B   149  .  ?        ?  
369  1  2  B  150  ILE  B   150  .  ?        ?  
370  1  2  B  151  ASP  B   151  .  ?        ?  
371  1  2  B  152  GLY  B   152  .  ?        ?  
372  1  2  B  153  SER  B   153  .  ?        ?  
373  1  2  B  154  GLU  B   154  .  ?        ?  
374  1  2  B  155  ARG  B   155  .  ?        ?  
375  1  2  B  156  GLN  B   156  .  ?        ?  
376  1  2  B  157  ASN  B   157  .  ?        ?  
377  1  2  B  158  GLY  B   158  .  ?        ?  
378  1  2  B  159  VAL  B   159  .  ?        ?  
379  1  2  B  160  LEU  B   160  .  ?        ?  
380  1  2  B  161  ASN  B   161  .  ?        ?  
381  1  2  B  162  SER  B   162  .  ?        ?  
382  1  2  B  163  TRP  B   163  .  ?        ?  
383  1  2  B  164  THR  B   164  .  ?        ?  
384  1  2  B  165  ASP  B   165  .  ?        ?  
385  1  2  B  166  GLN  B   166  .  ?        ?  
386  1  2  B  167  ASP  B   167  .  ?        ?  
387  1  2  B  168  SER  B   168  .  ?        ?  
388  1  2  B  169  LYS  B   169  .  ?        ?  
389  1  2  B  170  ASP  B   170  .  ?        ?  
390  1  2  B  171  SER  B   171  .  ?        ?  
391  1  2  B  172  THR  B   172  .  ?        ?  
392  1  2  B  173  TYR  B   173  .  ?        ?  
393  1  2  B  174  SER  B   174  .  ?        ?  
394  1  2  B  175  MET  B   175  .  ?        ?  
395  1  2  B  176  SER  B   176  .  ?        ?  
396  1  2  B  177  SER  B   177  .  ?        ?  
397  1  2  B  178  THR  B   178  .  ?        ?  
398  1  2  B  179  LEU  B   179  .  ?        ?  
399  1  2  B  180  THR  B   180  .  ?        ?  
400  1  2  B  181  LEU  B   181  .  ?        ?  
401  1  2  B  182  THR  B   182  .  ?        ?  
402  1  2  B  183  LYS  B   183  .  ?        ?  
403  1  2  B  184  ASP  B   184  .  ?        ?  
404  1  2  B  185  GLU  B   185  .  ?        ?  
405  1  2  B  186  TYR  B   186  .  ?        ?  
406  1  2  B  187  GLU  B   187  .  ?        ?  
407  1  2  B  188  ARG  B   188  .  ?        ?  
408  1  2  B  189  HIS  B   189  .  ?        ?  
409  1  2  B  190  ASN  B   190  .  ?        ?  
410  1  2  B  191  SER  B   191  .  ?        ?  
411  1  2  B  192  TYR  B   192  .  ?        ?  
412  1  2  B  193  THR  B   193  .  ?        ?  
413  1  2  B  194  CYS  B   194  .  ?        ?  
414  1  2  B  195  GLU  B   195  .  ?        1  
415  1  2  B  196  ALA  B   196  .  ?        ?  
416  1  2  B  197  THR  B   197  .  ?        ?  
417  1  2  B  198  HIS  B   198  .  ?        ?  
418  1  2  B  199  LYS  B   199  .  ?        ?  
419  1  2  B  200  THR  B   200  .  ?        ?  
420  1  2  B  201  SER  B   201  .  ?        ?  
421  1  2  B  202  THR  B   202  .  ?        ?  
422  1  2  B  203  SER  B   203  .  ?        ?  
423  1  2  B  204  PRO  B   204  .  ?        ?  
424  1  2  B  205  ILE  B   205  .  ?        ?  
425  1  2  B  206  VAL  B   206  .  ?        1  
426  1  2  B  207  LYS  B   207  .  ?        ?  
427  1  2  B  208  SER  B   208  .  ?        ?  
428  1  2  B  209  PHE  B   209  .  ?        ?  
429  1  2  B  210  ASN  B   210  .  ?        ?  
430  1  2  B  211  ARG  B   211  .  ?        ?  
431  1  2  B  212  ASN  B   212  .  ?        ?  
432  1  3  C   23  ALA  C    23  .  ?        ?  
433  1  3  C   24  CYS  C    24  .  ?        ?  
434  1  3  C   25  HIS  C    25  .  ?        ?  
435  1  3  C   26  TRP  C    26  .  ?        ?  
436  1  3  C   27  ARG  C    27  .  ?        ?  
437  1  3  C   28  ALA  C    28  .  ?        ?  
438  1  3  C   29  ALA  C    29  .  ?        ?  
439  1  3  C   30  GLY  C    30  .  ?        ?  
440  1  3  C   31  ALA  C    31  .  ?        ?  
441  1  3  C   32  ALA  C    32  .  ?        ?  
442  1  3  C   33  THR  C    33  .  ?        ?  
443  1  3  C   34  VAL  C    34  .  ?        ?  
444  1  3  C   35  LEU  C    35  .  ?        ?  
445  1  3  C   36  LEU  C    36  .  ?        ?  
446  1  3  C   37  VAL  C    37  .  ?        ?  
447  1  3  C   38  ILE  C    38  .  ?        ?  
448  1  3  C   39  VAL  C    39  .  ?        ?  
449  1  3  C   40  LEU  C    40  .  ?        ?  
450  1  3  C   41  LEU  C    41  .  ?        ?  
451  1  3  C   42  ALA  C    42  .  ?        ?  
452  1  3  C   43  GLY  C    43  .  ?        ?  
453  1  3  C   44  SER  C    44  .  ?        ?  
454  1  3  C   45  TYR  C    45  .  ?        ?  
455  1  3  C   46  LEU  C    46  .  ?        ?  
456  1  3  C   47  ALA  C    47  .  ?        ?  
457  1  3  C   48  VAL  C    48  .  ?        ?  
458  1  3  C   49  LEU  C    49  .  ?        ?  
459  1  3  C   50  ALA  C    50  .  ?        ?  
460  1  3  C   51  GLU  C    51  .  ?        ?  
461  1  3  C   52  ARG  C    52  .  ?        ?  
462  1  3  C   53  GLY  C    53  .  ?        ?  
463  1  3  C   54  ALA  C    54  .  ?        ?  
464  1  3  C   55  PRO  C    55  .  ?        ?  
465  1  3  C   56  GLY  C    56  .  ?        ?  
466  1  3  C   57  ALA  C    57  .  ?        ?  
467  1  3  C   58  GLN  C    58  .  ?        1  
468  1  3  C   59  LEU  C    59  .  ?        ?  
469  1  3  C   60  ILE  C    60  .  ?        ?  
470  1  3  C   61  THR  C    61  .  ?        ?  
471  1  3  C   62  TYR  C    62  .  ?        ?  
472  1  3  C   63  PRO  C    63  .  ?        ?  
473  1  3  C   64  ARG  C    64  .  ?        ?  
474  1  3  C   65  ALA  C    65  .  ?        ?  
475  1  3  C   66  LEU  C    66  .  ?        ?  
476  1  3  C   67  TRP  C    67  .  ?        ?  
477  1  3  C   68  TRP  C    68  .  ?        1  
478  1  3  C   69  SER  C    69  .  ?        ?  
479  1  3  C   70  VAL  C    70  .  ?        ?  
480  1  3  C   71  GLU  C    71  .  ?        1  
481  1  3  C   72  THR  C    72  .  ?        ?  
482  1  3  C   73  ALA  C    73  .  ?        ?  
483  1  3  C   74  THR  C    74  .  ?        ?  
484  1  3  C   75  THR  C    75  .  ?        ?  
485  1  3  C   76  VAL  C    76  .  ?        ?  
486  1  3  C   77  GLY  C    77  .  ?        ?  
487  1  3  C   78  TYR  C    78  .  ?        ?  
488  1  3  C   79  GLY  C    79  .  ?        ?  
489  1  3  C   80  ASP  C    80  .  ?        ?  
490  1  3  C   81  LEU  C    81  .  ?        ?  
491  1  3  C   82  TYR  C    82  .  ?        ?  
492  1  3  C   83  PRO  C    83  .  ?        ?  
493  1  3  C   84  VAL  C    84  .  ?        ?  
494  1  3  C   85  THR  C    85  .  ?        ?  
495  1  3  C   86  LEU  C    86  .  ?        ?  
496  1  3  C   87  TRP  C    87  .  ?        1  
497  1  3  C   88  GLY  C    88  .  ?        ?  
498  1  3  C   89  ARG  C    89  .  ?        1  
499  1  3  C   90  LEU  C    90  .  ?        1  
500  1  3  C   91  VAL  C    91  .  ?        ?  
501  1  3  C   92  ALA  C    92  .  ?        ?  
502  1  3  C   93  VAL  C    93  .  ?        1  
503  1  3  C   94  VAL  C    94  .  ?        ?  
504  1  3  C   95  VAL  C    95  .  ?        ?  
505  1  3  C   96  MET  C    96  .  ?        ?  
506  1  3  C   97  VAL  C    97  .  ?        ?  
507  1  3  C   98  ALA  C    98  .  ?        ?  
508  1  3  C   99  GLY  C    99  .  ?        ?  
509  1  3  C  100  ILE  C   100  .  ?        ?  
510  1  3  C  101  THR  C   101  .  ?        ?  
511  1  3  C  102  SER  C   102  .  ?        ?  
512  1  3  C  103  PHE  C   103  .  ?        ?  
513  1  3  C  104  GLY  C   104  .  ?        ?  
514  1  3  C  105  LEU  C   105  .  ?        ?  
515  1  3  C  106  VAL  C   106  .  ?        ?  
516  1  3  C  107  THR  C   107  .  ?        ?  
517  1  3  C  108  ALA  C   108  .  ?        ?  
518  1  3  C  109  ALA  C   109  .  ?        ?  
519  1  3  C  110  LEU  C   110  .  ?        ?  
520  1  3  C  111  ALA  C   111  .  ?        ?  
521  1  3  C  112  THR  C   112  .  ?        ?  
522  1  3  C  113  TRP  C   113  .  ?        ?  
523  1  3  C  114  PHE  C   114  .  ?        ?  
524  1  3  C  115  VAL  C   115  .  ?        1  
525  1  3  C  116  GLY  C   116  .  ?        ?  
526  1  3  C  117  CYS  C   117  .  ?        ?  
527  1  3  C  118  GLU  C   118  .  ?        ?  
528  1  3  C  119  GLN  C   119  .  ?        1  
529  1  3  C  120  GLU  C   120  .  ?        ?  
530  1  3  C  121  ARG  C   121  .  ?        ?  
531  1  3  C  122  ARG  C   122  .  ?        ?  
532  1  3  C  123  GLY  C   123  .  ?        ?  
533  1  3  C  124  HIS  C   124  .  ?        ?  
534  1  4  D    .  K    C  3001  .  ?        ?  
535  1  4  E    .  K    C  3002  .  ?        ?  
536  1  4  F    .  K    C  3003  .  ?        ?  
537  1  4  G    .  K    C  3004  .  ?        ?  
#
loop_
_pdbx_vrpt_model_instance_geometry.ordinal
_pdbx_vrpt_model_instance_geometry.instance_id
_pdbx_vrpt_model_instance_geometry.rotamer_class
_pdbx_vrpt_model_instance_geometry.phi
_pdbx_vrpt_model_instance_geometry.psi
_pdbx_vrpt_model_instance_geometry.ramachandran_class
_pdbx_vrpt_model_instance_geometry.cis_peptide
_pdbx_vrpt_model_instance_geometry.num_H_reduce
_pdbx_vrpt_model_instance_geometry.OWAB
_pdbx_vrpt_model_instance_geometry.num_bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.num_angles_RMSZ
_pdbx_vrpt_model_instance_geometry.angles_RMSZ
_pdbx_vrpt_model_instance_geometry.program_for_bond_angle_geometry
_pdbx_vrpt_model_instance_geometry.average_occupancy
  1    1  mm-40         ?       ?  ?        ?       10  216.080     9  0.26    12  0.28  molprobity  1.000  
  2    2  t         -63.2   123.0  Favored  ?        9  200.220     7  0.16    10  0.46  molprobity  1.000  
  3    3  mm-40     -77.8   -46.7  Favored  ?        8  182.560     9  0.28    12  0.33  molprobity  1.000  
  4    4  mt       -115.5   122.9  Favored  ?       11  162.770     8  0.19    11  0.27  molprobity  1.000  
  5    5  mt-30    -111.4   122.7  Favored  ?        8  175.740     9  0.25    12  0.38  molprobity  1.000  
  6    6  mt-30    -119.8   150.6  Favored  ?        8  150.010     9  0.23    13  0.42  molprobity  1.000  
  7    7  Cg_exo    -59.1   144.2  Favored  ?        7  158.160     8  0.11    11  0.24  molprobity  1.000  
  8    8  ?         -65.9   -38.2  Favored  ?        3  160.160     4  0.24     5  0.20  molprobity  1.000  
  9    9  ?        -156.4   156.2  Favored  ?        5  168.460     5  0.13     7  0.42  molprobity  1.000  
 10   10  mm-40    -140.2   123.2  Favored  ?        6  174.160     9  0.21    12  0.33  molprobity  1.000  
 11   11  tp        -96.6   121.7  Favored  ?       11  188.920     8  0.21    11  0.33  molprobity  1.000  
 12   12  t        -125.4   128.0  Favored  ?        9  190.900     7  0.20    10  0.51  molprobity  1.000  
 13   13  mttm      -69.0   148.0  Favored  ?       13  208.860     9  0.20    12  0.44  molprobity  1.000  
 14   14  Cg_exo    -56.0   121.8  Favored  ?        7  202.140     8  0.13    11  0.21  molprobity  1.000  
 15   15  ?          99.2   -18.4  Favored  ?        3  201.690     4  0.22     5  0.21  molprobity  1.000  
 16   16  ?         -78.2   179.3  Favored  ?        5  199.510     5  0.16     7  0.26  molprobity  1.000  
 17   17  m        -122.2   164.1  Favored  ?        5  192.650     6  0.18     8  0.24  molprobity  1.000  
 18   18  p        -154.0   142.4  Favored  ?        9  181.620     7  0.21    10  0.34  molprobity  1.000  
 19   19  ttmm     -109.5   108.7  Favored  ?       13  180.870     9  0.23    11  0.24  molprobity  1.000  
 20   20  mt        -83.2   140.5  Favored  ?       11  165.870     8  0.21    11  0.27  molprobity  1.000  
 21   21  p        -115.7   148.0  Favored  ?        5  164.390     6  0.18     8  0.33  molprobity  1.000  
 22   22  t        -137.6   110.6  Favored  ?        4  166.400     6  0.20     8  0.40  molprobity  1.000  
 23   23  tttp      -95.1   125.8  Favored  ?       13  182.790     9  0.27    11  0.25  molprobity  1.000  
 24   24  ?        -105.0   136.0  Favored  ?        5  178.990     5  0.15     7  0.45  molprobity  1.000  
 25   25  p        -123.5  -171.1  Favored  ?        5  187.500     6  0.19     8  0.42  molprobity  1.000  
 26   26  ?          74.8  -158.6  Favored  ?        3  195.020     4  0.22     5  0.35  molprobity  1.000  
 27   27  m-85      -62.7   127.3  Favored  ?        9  197.600    13  0.22    18  0.28  molprobity  1.000  
 28   28  p        -121.2   125.7  Favored  ?        7  187.010     7  0.23    10  0.62  molprobity  1.000  
 29   29  m-85     -125.0   162.8  Favored  ?        9  175.640    12  0.38    16  0.25  molprobity  1.000  
 30   30  t         -71.8   -12.2  Favored  ?        7  170.130     7  0.24    10  0.60  molprobity  1.000  
 31   31  p         -99.0     5.9  Favored  ?        5  156.530     6  0.22     8  0.26  molprobity  1.000  
 32   32  m-20      -72.2   129.4  Favored  ?        4  155.920     8  0.16    11  0.26  molprobity  1.000  
 33   33  m95      -111.2   129.6  Favored  ?       10  130.560    16  0.28    23  0.30  molprobity  1.000  
 34   34  mm       -100.2   115.8  Favored  ?       11  134.600     8  0.24    11  0.53  molprobity  1.000  
 35   35  m-70     -106.2   147.7  Favored  ?        7  128.270    11  0.30    15  0.32  molprobity  1.000  
 36   36  m95      -119.5   128.2  Favored  ?       10  141.790    16  0.21    23  0.30  molprobity  1.000  
 37   37  t        -121.3   131.5  Favored  ?        9  129.620     7  0.14    10  0.45  molprobity  1.000  
 38   38  tttt     -100.4   138.5  Favored  ?       13  139.190     9  0.20    11  0.37  molprobity  1.000  
 39   39  tt0      -142.2   106.9  Favored  ?        8  133.950     9  0.21    12  0.30  molprobity  1.000  
 40   40  mtp85     -76.8   151.5  Favored  ?       13  162.130    11  0.22    15  0.60  molprobity  1.000  
 41   41  Cg_exo    -48.5   120.8  Favored  ?        7  155.920     8  0.20    11  0.36  molprobity  1.000  
 42   42  ?          74.8    15.1  Favored  ?        3  151.730     4  0.21     5  0.25  molprobity  1.000  
 43   43  m80      -122.7  -178.8  Favored  ?        7  155.170    11  0.17    15  0.18  molprobity  1.000  
 44   44  ?         -85.5  -167.8  Favored  ?        3  133.130     4  0.22     5  0.40  molprobity  1.000  
 45   45  mt        -94.0   134.4  Favored  ?       11  123.480     8  0.20    11  0.19  molprobity  1.000  
 46   46  tt0      -123.7   121.9  Favored  ?        6  141.340     9  0.20    12  0.30  molprobity  1.000  
 47   47  t90       -72.9   122.4  Favored  ?       10  130.080    16  0.15    23  0.22  molprobity  1.000  
 48   48  mt        -90.4   -58.7  Favored  ?       11  139.200     8  0.24    11  0.56  molprobity  1.000  
 49   49  ?        -179.3   178.1  Favored  ?        3  133.810     4  0.38     5  0.35  molprobity  1.000  
 50   50  pt-20    -137.4   151.1  Favored  ?        6  136.480     9  0.30    12  0.37  molprobity  1.000  
 51   51  tt       -139.8   146.2  Favored  ?       11  146.340     8  0.33    11  0.42  molprobity  1.000  
 52   52  tt       -112.7   109.0  Favored  ?       11  153.280     8  0.20    12  0.53  molprobity  1.000  
 53   53  Cg_exo    -59.0   -29.5  Favored  ?        7  162.580     8  0.22    11  0.35  molprobity  1.000  
 54   54  p         -68.7   -27.4  Favored  ?        5  169.020     6  0.18     8  0.25  molprobity  1.000  
 55   55  t80      -109.7   -34.5  Favored  ?        9  177.980    13  0.20    18  0.24  molprobity  1.000  
 56   56  ?          92.3     7.9  Favored  ?        3  173.930     4  0.22     5  0.56  molprobity  1.000  
 57   57  ttt180    -80.8   134.3  Favored  ?       13  173.700    11  0.24    14  0.53  molprobity  1.000  
 58   58  ?        -125.7   142.0  Favored  ?        5  164.860     5  0.19     7  0.19  molprobity  1.000  
 59   59  m-20     -122.7   140.9  Favored  ?        6  154.320     8  0.19    11  0.28  molprobity  1.000  
 60   60  m-85     -120.6   151.3  Favored  ?        9  165.700    13  0.35    18  0.36  molprobity  1.000  
 61   61  t-20      -67.5   119.8  Favored  ?        6  159.680     8  0.27    11  0.25  molprobity  1.000  
 62   62  mt-10     -84.3   -15.1  Favored  ?        6  164.180     9  0.21    12  0.32  molprobity  1.000  
 63   63  mtmm      -74.6   -22.0  Favored  ?       13  168.190     9  0.23    11  0.27  molprobity  1.000  
 64   64  pt       -113.2   163.5  Favored  ?       11  172.030     8  0.18    11  0.48  molprobity  1.000  
 65   65  tt0       -66.6   127.8  Favored  ?        8  186.500     9  0.19    12  0.26  molprobity  1.000  
 66   66  tttm      -69.1    93.1  Allowed  ?       13  180.480     9  0.25    11  0.22  molprobity  1.000  
 67   67  mmmt      -96.5   -15.9  Favored  ?       13  188.990     9  0.25    11  0.30  molprobity  1.000  
 68   68  ?        -105.8   140.6  Favored  ?        5  176.330     5  0.21     7  0.61  molprobity  1.000  
 69   69  m        -127.5   119.7  Favored  ?        7  175.280     7  0.25    10  0.80  molprobity  1.000  
 70   70  mt        -96.2   130.6  Favored  ?       11  163.180     8  0.21    11  0.39  molprobity  1.000  
 71   71  p        -132.8   174.8  Favored  ?        7  167.810     7  0.16    10  0.63  molprobity  1.000  
 72   72  ?        -157.1   134.5  Favored  ?        5  174.060     5  0.28     7  0.33  molprobity  1.000  
 73   73  t0       -101.3   114.6  Favored  ?        4  192.040     8  0.16    11  0.33  molprobity  1.000  
 74   74  mtmt      -76.7   -32.2  Favored  ?       13  191.280     9  0.30    11  0.30  molprobity  1.000  
 75   75  p         -69.7   -30.5  Favored  ?        5  200.450     6  0.21     8  0.19  molprobity  1.000  
 76   76  p        -104.9     1.2  Favored  ?        5  193.240     6  0.22     8  0.28  molprobity  1.000  
 77   77  m          51.6    48.2  Favored  ?        5  190.550     6  0.24     8  0.33  molprobity  1.000  
 78   78  m        -128.6   134.9  Favored  ?        7  181.330     7  0.22    10  0.62  molprobity  1.000  
 79   79  ?         -97.2   136.8  Favored  ?        5  168.140     5  0.14     7  0.17  molprobity  1.000  
 80   80  m-85     -125.2   130.9  Favored  ?        9  172.220    12  0.50    16  0.40  molprobity  1.000  
 81   81  ttp      -114.8   117.2  Favored  ?        9  162.370     8  0.29    10  0.19  molprobity  1.000  
 82   82  tp60      -94.1   109.5  Favored  ?        8  180.590     9  0.22    12  0.31  molprobity  1.000  
 83   83  mt        -98.0   125.7  Favored  ?       11  178.430     8  0.17    11  0.28  molprobity  1.000  
 84   84  p        -124.9   152.9  Favored  ?        5  194.460     6  0.14     8  0.44  molprobity  1.000  
 85   85  m          52.9    56.5  Favored  ?        5  202.050     6  0.26     8  0.30  molprobity  1.000  
 86   86  mt        -79.0   147.4  Favored  ?       11  193.010     8  0.18    11  0.43  molprobity  1.000  
 87   87  p        -123.1  -175.5  Favored  ?        7  193.570     7  0.22    10  0.60  molprobity  1.000  
 88   88  p         -66.9   -17.3  Favored  ?        5  189.650     6  0.21     8  0.19  molprobity  1.000  
 89   89  mt-10     -76.7   -11.3  Favored  ?        6  192.640     9  0.20    12  0.33  molprobity  1.000  
 90   90  m-20      -97.7    -3.1  Favored  ?        4  179.790     8  0.16    11  0.26  molprobity  1.000  
 91   91  m         -69.9   110.9  Favored  ?        5  171.930     6  0.21     8  0.14  molprobity  1.000  
 92   92  ?        -168.1   173.6  Favored  ?        5  153.010     5  0.23     7  0.44  molprobity  1.000  
 93   93  t         -91.8   124.9  Favored  ?        9  142.920     7  0.16    10  0.43  molprobity  1.000  
 94   94  m-85     -110.8   105.9  Favored  ?        9  144.870    13  0.21    18  0.28  molprobity  1.000  
 95   95  m-85      -84.5   148.8  Favored  ?        9  133.470    13  0.37    18  0.36  molprobity  1.000  
 96   96  p        -115.1   137.7  Favored  ?        4  137.760     6  0.25     8  0.74  molprobity  1.000  
 97   97  ?        -134.1   148.8  Favored  ?        5  133.000     5  0.27     7  0.35  molprobity  1.000  
 98   98  ttp180   -103.5   126.2  Favored  ?       13  144.400    11  0.23    14  0.37  molprobity  1.000  
 99   99  tt0      -110.8   131.2  Favored  ?        6  128.000     9  0.30    12  0.29  molprobity  1.000  
100  100  mmt180    -82.6    21.9  Allowed  ?       13  143.990    11  0.14    14  0.25  molprobity  1.000  
101  101  ?          74.8    15.5  Favored  ?        3  124.810     4  0.25     5  0.23  molprobity  1.000  
102  102  p30      -115.8    16.0  Favored  ?        4  123.430     8  0.11    11  0.30  molprobity  1.000  
103  103  ?          99.5   -33.1  Favored  ?        3  113.540     4  0.26     5  0.90  molprobity  1.000  
104  104  p90      -105.3   156.4  Favored  ?        9  119.020    13  0.21    18  0.31  molprobity  1.000  
105  105  m-85      -95.0    98.2  Favored  ?        9  119.330    12  0.36    16  0.25  molprobity  1.000  
106  106  ?         -63.3   -38.6  Favored  ?        5  124.850     5  0.15     7  0.24  molprobity  1.000  
107  107  p        -142.1   144.4  Favored  ?        9  132.810     7  0.31    10  0.51  molprobity  1.000  
108  108  m95      -116.7   156.7  Favored  ?       10  129.400    16  0.18    23  0.23  molprobity  1.000  
109  109  ?         -82.0   174.7  Favored  ?        3  136.970     4  0.27     5  0.56  molprobity  1.000  
110  110  ?         -73.1   -23.0  Favored  ?        5  141.890     5  0.09     7  0.22  molprobity  1.000  
111  111  ?          94.1   144.6  Favored  ?        3  143.560     4  0.29     5  0.32  molprobity  1.000  
112  112  m        -112.0   116.1  Favored  ?        7  153.730     7  0.24    10  0.56  molprobity  1.000  
113  113  m         -80.1   111.1  Favored  ?        7  161.490     7  0.26    10  0.62  molprobity  1.000  
114  114  t        -102.6   121.5  Favored  ?        9  162.990     7  0.21    10  0.57  molprobity  1.000  
115  115  m        -116.3   124.0  Favored  ?        7  178.850     7  0.26    10  0.54  molprobity  1.000  
116  116  t        -101.1   107.5  Favored  ?        9  188.250     7  0.13    10  0.39  molprobity  1.000  
117  117  t        -155.5   162.2  Favored  ?        5  201.070     6  0.20     8  0.22  molprobity  1.000  
118  118  m         -95.3    -4.7  Favored  ?        5  207.230     6  0.18     8  0.27  molprobity  1.000  
119  119  ?         -72.0   160.6  Favored  ?        5  206.840     5  0.16     7  0.32  molprobity  1.000  
120  120  ttmt      -92.7   145.8  Favored  ?       13  221.510     9  0.16    11  0.31  molprobity  1.000  
121  121  m         -58.4   132.6  Favored  ?        7  204.350     7  0.24    10  0.60  molprobity  1.000  
122  122  m        -137.6   121.3  Favored  ?        7  205.270     7  0.24    11  0.58  molprobity  1.000  
123  123  Cg_endo   -68.6   149.6  Favored  ?        7  205.520     8  0.12    12  0.47  molprobity  1.000  
124  124  Cg_endo   -76.5   149.9  Favored  ?        7  200.270     8  0.17    11  0.40  molprobity  1.000  
125  125  m         -99.0   121.8  Favored  ?        5  203.920     6  0.22     8  0.43  molprobity  1.000  
126  126  t        -108.1   122.4  Favored  ?        9  202.250     7  0.19    10  0.46  molprobity  1.000  
127  127  m-85     -123.2   145.6  Favored  ?        9  212.730    13  0.20    19  0.27  molprobity  1.000  
128  128  Cg_endo   -75.1   146.8  Favored  ?        7  213.680     8  0.17    11  0.30  molprobity  1.000  
129  129  mt       -121.0    92.8  Favored  ?       11  201.250     8  0.23    11  0.52  molprobity  1.000  
130  130  ?        -117.9   137.0  Favored  ?        5  208.540     5  0.19     8  0.67  molprobity  1.000  
131  131  Cg_endo   -66.3   159.3  Favored  ?        7  212.590     8  0.24    11  0.30  molprobity  1.000  
132  132  ?         -72.0   166.8  Favored  ?        3  215.590     4  0.30     5  0.42  molprobity  1.000  
133  133  p         -78.3    -2.0  Favored  ?        5  224.880     6  0.21     8  0.31  molprobity  1.000  
134  134  ?        -103.4   -11.0  Favored  ?        5  220.680     5  0.11     7  0.26  molprobity  1.000  
135  135  ?         -76.1   150.0  Favored  ?        5  212.660     5  0.19     7  0.24  molprobity  1.000  
136  136  mt-30    -114.2   145.5  Favored  ?        8  220.320     9  0.22    12  0.31  molprobity  1.000  
137  137  p        -115.8   163.3  Favored  ?        7  214.370     7  0.34    10  0.82  molprobity  1.000  
138  138  p-10     -102.7  -134.3  Allowed  ?        6  210.730     8  0.29    11  0.31  molprobity  1.000  
139  139  p         -75.8    -8.8  Favored  ?        5  207.970     6  0.18     8  0.12  molprobity  1.000  
140  140  mmm      -128.6   153.6  Favored  ?        9  205.570     8  0.24    10  0.56  molprobity  1.000  
141  141  p        -132.3   145.3  Favored  ?        9  200.630     7  0.30    10  0.38  molprobity  1.000  
142  142  m        -116.6   125.4  Favored  ?        7  195.820     7  0.25    10  0.65  molprobity  1.000  
143  143  mt       -120.4   176.3  Favored  ?       11  194.260     8  0.19    11  0.60  molprobity  1.000  
144  144  ?        -166.2  -178.4  Favored  ?        3  189.760     4  0.29     5  0.57  molprobity  1.000  
145  145  p        -148.4   140.6  Favored  ?        4  192.100     6  0.20     8  0.96  molprobity  1.000  
146  146  tp       -102.1   125.6  Favored  ?       11  196.470     8  0.23    11  0.56  molprobity  1.000  
147  147  t        -110.8   108.6  Favored  ?        9  192.900     7  0.18    10  0.37  molprobity  1.000  
148  148  tttp     -125.3   143.1  Favored  ?       13  201.240     9  0.25    11  0.51  molprobity  1.000  
149  149  ?          64.2    59.4  Favored  ?        3  194.650     4  0.22     5  0.50  molprobity  1.000  
150  150  p90      -125.8   157.8  Favored  ?        9  192.060    13  0.29    18  0.36  molprobity  1.000  
151  151  t80      -165.3   135.1  Favored  Y        9  199.120    12  0.30    17  0.38  molprobity  1.000  
152  152  Cg_endo   -95.9  -169.2  Favored  ?        7  193.540     8  0.21    11  0.29  molprobity  1.000  
153  153  mm-40     -69.5   157.0  Favored  Y        6  185.810     9  0.29    13  0.41  molprobity  1.000  
154  154  Cg_endo  -106.8  -174.2  Allowed  ?        7  180.610     8  0.25    11  0.43  molprobity  1.000  
155  155  m        -133.8   146.8  Favored  ?        9  182.820     7  0.16    10  0.42  molprobity  1.000  
156  156  m        -113.4   122.2  Favored  ?        7  185.670     7  0.26    10  0.56  molprobity  1.000  
157  157  t        -112.3   123.8  Favored  ?        9  186.380     7  0.18    10  0.52  molprobity  1.000  
158  158  p        -122.1   169.8  Favored  ?        7  190.200     7  0.23    10  0.59  molprobity  1.000  
159  159  m95      -126.4   129.4  Favored  ?       10  191.670    16  0.21    23  0.34  molprobity  1.000  
160  160  m-20       51.9    48.9  Favored  ?        6  199.630     8  0.18    11  0.43  molprobity  1.000  
161  161  m          58.4    33.4  Favored  ?        5  197.260     6  0.18     8  0.25  molprobity  1.000  
162  162  ?          95.3   -15.3  Favored  ?        3  190.800     4  0.25     5  0.36  molprobity  1.000  
163  163  p         -71.3   -17.1  Favored  ?        5  198.960     6  0.17     8  0.23  molprobity  1.000  
164  164  tp       -115.1   101.2  Favored  ?       11  195.730     8  0.17    11  0.43  molprobity  1.000  
165  165  p        -119.3   -33.7  Favored  ?        5  190.080     6  0.18     8  0.25  molprobity  1.000  
166  166  p         -79.3   139.5  Favored  ?        5  190.710     6  0.18     8  0.18  molprobity  1.000  
167  167  ?          83.0    16.3  Favored  ?        3  181.730     4  0.23     5  0.52  molprobity  1.000  
168  168  t        -111.0   130.0  Favored  ?        9  176.630     7  0.16    10  0.45  molprobity  1.000  
169  169  m-70     -126.9   134.6  Favored  ?        7  177.790    11  0.20    15  0.23  molprobity  1.000  
170  170  m        -118.7   116.8  Favored  ?        7  174.210     7  0.22    10  0.65  molprobity  1.000  
171  171  m-85      -79.5   145.6  Favored  ?        9  174.170    12  0.33    17  0.49  molprobity  1.000  
172  172  Cg_exo    -55.4   147.0  Favored  ?        7  171.380     8  0.16    11  0.19  molprobity  1.000  
173  173  ?         -76.7   151.1  Favored  ?        5  176.560     5  0.18     7  0.28  molprobity  1.000  
174  174  m        -114.3   141.3  Favored  ?        9  185.680     7  0.19    10  0.36  molprobity  1.000  
175  175  tp       -104.9   128.1  Favored  ?       11  195.600     8  0.20    11  0.28  molprobity  1.000  
176  176  tt0      -148.4   126.3  Favored  ?        8  212.220     9  0.21    12  0.39  molprobity  1.000  
177  177  p          45.7    56.4  Favored  ?        5  214.270     6  0.27     8  0.46  molprobity  1.000  
178  178  m-20       61.4    21.5  Favored  ?        4  215.750     8  0.14    11  0.36  molprobity  1.000  
179  179  mt       -136.8   134.6  Favored  ?       11  202.530     8  0.20    11  0.30  molprobity  1.000  
180  180  m-85      -95.2   156.8  Favored  ?        9  190.290    13  0.18    18  0.28  molprobity  1.000  
181  181  m        -149.6   131.6  Favored  ?        7  190.060     7  0.24    10  0.55  molprobity  1.000  
182  182  pp       -145.3   172.9  Favored  ?       11  181.430     8  0.26    11  0.92  molprobity  1.000  
183  183  m        -136.1   154.6  Favored  ?        5  183.570     6  0.20     8  0.20  molprobity  1.000  
184  184  t        -127.2   135.6  Favored  ?        5  180.850     6  0.18     8  0.40  molprobity  1.000  
185  185  t        -115.6   142.3  Favored  ?        5  177.630     6  0.25     8  0.30  molprobity  1.000  
186  186  p        -135.9   145.1  Favored  ?        9  184.960     7  0.20    10  0.32  molprobity  1.000  
187  187  m        -127.3   123.2  Favored  ?        7  192.100     7  0.23    10  0.67  molprobity  1.000  
188  188  m        -127.9   161.2  Favored  ?        9  198.990     7  0.20    11  0.41  molprobity  1.000  
189  189  Cg_exo    -53.2   130.3  Favored  ?        7  205.630     8  0.15    11  0.25  molprobity  1.000  
190  190  p         -60.2   -19.1  Favored  ?        5  213.880     6  0.25     8  0.31  molprobity  1.000  
191  191  p         -82.1   -16.2  Favored  ?        5  222.620     6  0.20     8  0.21  molprobity  1.000  
192  192  p         -92.8   -21.2  Favored  ?        5  218.140     6  0.24     8  0.36  molprobity  1.000  
193  193  t90      -114.0   138.6  Favored  Y       10  210.430    16  0.13    24  0.21  molprobity  1.000  
194  194  Cg_endo   -92.3    13.1  Favored  ?        7  212.800     8  0.21    11  0.53  molprobity  1.000  
195  195  p         -54.3   -41.4  Favored  ?        5  223.690     6  0.19     8  0.31  molprobity  1.000  
196  196  mp0      -104.5   140.3  Favored  ?        6  229.950     9  0.19    12  0.37  molprobity  1.000  
197  197  p         -78.2   145.2  Favored  ?        7  216.400     7  0.21    10  0.71  molprobity  1.000  
198  198  t        -125.8   123.5  Favored  ?        9  205.950     7  0.12    10  0.38  molprobity  1.000  
199  199  m        -134.2   131.2  Favored  ?        7  205.170     7  0.27    10  0.52  molprobity  1.000  
200  200  p        -101.4   138.8  Favored  ?        4  203.800     6  0.23     8  1.11  molprobity  1.000  
201  201  OUTLIER  -113.5   121.1  Favored  ?        6  196.680     8  0.25    11  0.30  molprobity  1.000  
202  202  t        -112.3   125.5  Favored  ?        9  189.670     7  0.20    10  0.47  molprobity  1.000  
203  203  ?        -118.2   123.3  Favored  ?        5  184.830     5  0.24     7  0.43  molprobity  1.000  
204  204  t-80     -115.0   101.9  Favored  ?        7  189.450    11  0.19    16  0.60  molprobity  1.000  
205  205  Cg_endo   -68.1   -30.8  Favored  ?        7  187.750     8  0.14    11  0.37  molprobity  1.000  
206  206  ?         -64.2   -31.5  Favored  ?        5  194.290     5  0.14     7  0.28  molprobity  1.000  
207  207  p        -106.2     4.0  Favored  ?        5  199.120     6  0.18     8  0.34  molprobity  1.000  
208  208  m          53.2    49.0  Favored  ?        5  200.620     6  0.26     8  0.23  molprobity  1.000  
209  209  p        -123.5   153.2  Favored  ?        7  196.020     7  0.25    10  0.64  molprobity  1.000  
210  210  tttt     -153.5   120.9  Favored  ?       13  198.080     9  0.23    11  0.34  molprobity  1.000  
211  211  m        -124.9   154.2  Favored  ?        9  202.430     7  0.15    10  0.55  molprobity  1.000  
212  212  m-20     -117.8   146.6  Favored  ?        4  209.330     8  0.14    11  0.24  molprobity  1.000  
213  213  tppt?    -138.9   121.5  Favored  ?       13  219.880     9  0.29    11  0.26  molprobity  1.000  
214  214  tttt      -88.8   135.2  Favored  ?       13  224.900     9  0.26    11  0.35  molprobity  1.000  
215  215  mm        -97.6   111.7  Favored  ?       11  210.380     8  0.18    11  0.45  molprobity  1.000  
216  216  m        -115.7   157.8  Favored  ?        9  222.330     7  0.14    11  0.42  molprobity  1.000  
217  217  Cg_exo    -64.0   146.7  Favored  ?        7  219.340     8  0.27    11  0.32  molprobity  1.000  
218  218  mtp85     -61.5   113.7  Favored  ?       13  220.200    11  0.19    14  0.46  molprobity  1.000  
219  219  p-10          ?       ?  ?        ?        4  229.470     8  0.16     8  0.50  molprobity  1.000  
220  220  m-20          ?       ?  ?        ?        6  143.550     8  0.19    11  0.27  molprobity  1.000  
221  221  mm        -69.4   125.4  Favored  ?       11  121.790     8  0.14    11  0.49  molprobity  1.000  
222  222  tp        -94.4   124.2  Favored  ?       11  128.930     8  0.20    11  0.22  molprobity  1.000  
223  223  mt       -108.9   114.4  Favored  ?       11  119.540     8  0.21    11  0.28  molprobity  1.000  
224  224  m        -103.0   119.2  Favored  ?        7  130.720     7  0.20    10  0.64  molprobity  1.000  
225  225  mt-30    -108.0   101.3  Favored  ?        8  124.500     9  0.26    12  0.30  molprobity  1.000  
226  226  t        -128.1   137.8  Favored  Y        5  140.360     6  0.19     9  0.31  molprobity  0.917  
227  227  Cg_endo   -77.5   165.0  Favored  ?        7  145.410     8  0.15    11  0.23  molprobity  1.000  
228  228  ?         -81.2   -21.7  Favored  ?        5  133.370     5  0.14     7  0.24  molprobity  1.000  
229  229  mt       -134.7   130.0  Favored  ?       11  140.660     8  0.14    11  0.45  molprobity  1.000  
230  230  mt       -120.7   125.8  Favored  ?       11  143.940     8  0.15    11  0.30  molprobity  1.000  
231  231  p        -113.2   137.6  Favored  ?        5  154.120     6  0.25     8  0.29  molprobity  1.000  
232  232  p        -151.8   145.9  Favored  ?        9  161.530     7  0.25    10  0.35  molprobity  1.000  
233  233  m         -71.7   150.0  Favored  ?        5  169.610     6  0.21     9  0.43  molprobity  1.000  
234  234  Cg_exo    -61.8   130.7  Favored  ?        7  167.490     8  0.12    11  0.22  molprobity  1.000  
235  235  ?          94.0    -4.5  Favored  ?        3  162.890     4  0.25     5  0.17  molprobity  1.000  
236  236  mt-10     -90.8   156.1  Favored  ?        6  173.840     9  0.20    12  0.36  molprobity  1.000  
237  237  ttt85     -86.2   139.5  Favored  ?       13  159.460    11  0.15    14  0.38  molprobity  1.000  
238  238  p        -128.1   153.4  Favored  ?        9  145.800     7  0.23    10  0.36  molprobity  1.000  
239  239  m        -137.6   122.0  Favored  ?        5  138.550     6  0.16     8  0.43  molprobity  1.000  
240  240  m-85      -95.2   135.5  Favored  ?        9  131.530    12  0.34    16  0.20  molprobity  1.000  
241  241  t        -103.0   147.4  Favored  ?        5  131.520     6  0.18     8  0.33  molprobity  1.000  
242  242  t        -147.5   116.1  Favored  ?        4  130.620     6  0.19     8  0.28  molprobity  1.000  
243  243  ttm180   -114.4   125.0  Favored  ?       13  142.220    11  0.16    14  0.37  molprobity  1.000  
244  244  ?         -87.5   149.1  Favored  ?        5  117.500     5  0.17     7  0.25  molprobity  1.000  
245  245  p         -65.5   -20.0  Favored  ?        5  122.150     6  0.20     8  0.17  molprobity  1.000  
246  246  pt20     -154.5   164.8  Favored  ?        8  117.250     9  0.21    12  0.28  molprobity  1.000  
247  247  t         -57.7   126.8  Favored  ?        5  113.340     6  0.20     8  0.35  molprobity  1.000  
248  248  pt       -125.3    21.9  Favored  ?       11  108.560     8  0.17    11  0.41  molprobity  1.000  
249  249  ?          61.3  -124.3  Favored  ?        3  114.330     4  0.23     5  0.29  molprobity  1.000  
250  250  p        -118.4    27.0  Favored  ?        7  113.060     7  0.26    10  0.64  molprobity  1.000  
251  251  m-20      -87.7    50.1  Allowed  ?        4  109.150     8  0.16    11  0.25  molprobity  1.000  
252  252  tp       -118.8   147.3  Favored  ?       11  111.300     8  0.23    11  0.29  molprobity  1.000  
253  253  m-70     -135.8   145.9  Favored  ?        7  108.580    11  0.16    15  0.18  molprobity  1.000  
254  254  m95      -113.3   133.9  Favored  ?       10  116.980    16  0.16    23  0.28  molprobity  1.000  
255  255  m-85     -126.0   138.9  Favored  ?        9  115.470    13  0.28    18  0.29  molprobity  1.000  
256  256  tt0      -106.5   134.3  Favored  ?        8  120.740     9  0.24    12  0.26  molprobity  1.000  
257  257  tt0      -132.0   111.0  Favored  ?        8  117.600     9  0.23    12  0.29  molprobity  1.000  
258  258  mtt85     -81.6   173.7  Favored  ?       13  136.690    11  0.18    14  0.30  molprobity  1.000  
259  259  m         -60.0   130.5  Favored  ?        7  150.390     7  0.23    10  0.60  molprobity  1.000  
260  260  m-20       58.2    32.1  Favored  ?        6  156.910     8  0.20    11  0.37  molprobity  1.000  
261  261  ?        -128.1   168.9  Favored  ?        3  139.180     4  0.24     5  0.26  molprobity  1.000  
262  262  p         -91.8   151.8  Favored  ?        5  129.930     6  0.24     9  0.48  molprobity  1.000  
263  263  Cg_exo    -56.8   147.5  Favored  ?        7  122.870     8  0.16    11  0.28  molprobity  1.000  
264  264  ttt180   -131.3   126.0  Favored  ?       13  135.070    11  0.15    14  0.36  molprobity  1.000  
265  265  tp        -65.4   127.3  Favored  ?       11  118.870     8  0.19    11  0.41  molprobity  1.000  
266  266  mt       -106.3   -52.1  Favored  ?       11  119.000     8  0.19    11  0.70  molprobity  1.000  
267  267  mm       -129.7   136.1  Favored  ?       11  116.890     8  0.20    11  0.46  molprobity  1.000  
268  268  pttt     -117.2   148.3  Favored  ?       13  119.080     9  0.20    11  0.35  molprobity  1.000  
269  269  m-85       49.5    54.9  Favored  ?        9  115.320    13  0.25    18  0.45  molprobity  1.000  
270  270  ?          71.9   -46.0  Allowed  ?        5  116.870     5  0.35     7  0.67  molprobity  1.000  
271  271  p        -138.6    -8.0  Allowed  ?        5  127.910     6  0.19     8  0.63  molprobity  1.000  
272  272  mt-10     -76.3   128.7  Favored  ?        6  130.030     9  0.20    12  0.30  molprobity  1.000  
273  273  p         -82.0   147.9  Favored  ?        5  134.510     6  0.26     8  0.34  molprobity  1.000  
274  274  mm       -101.8   138.1  Favored  ?       11  133.130     8  0.16    11  0.44  molprobity  1.000  
275  275  p         -64.0   134.1  Favored  ?        5  155.430     6  0.11     8  0.17  molprobity  1.000  
276  276  ?         100.3   -26.1  Favored  ?        3  145.400     4  0.23     5  0.56  molprobity  1.000  
277  277  mm        -80.3   129.8  Favored  ?       11  141.130     8  0.16    12  0.60  molprobity  1.000  
278  278  Cg_exo    -52.8   144.3  Favored  ?        7  146.790     8  0.13    11  0.21  molprobity  1.000  
279  279  p         -62.9   -13.1  Favored  ?        5  149.430     6  0.20     8  0.52  molprobity  1.000  
280  280  ttm180    -51.9   -40.3  Favored  ?       13  149.270    11  0.24    14  0.48  molprobity  1.000  
281  281  m-85      -82.8   137.3  Favored  ?        9  136.390    12  0.37    16  0.26  molprobity  1.000  
282  282  p        -148.0   162.3  Favored  ?        5  135.580     6  0.16     8  0.34  molprobity  1.000  
283  283  ?        -135.0   157.5  Favored  ?        3  133.780     4  0.26     5  0.29  molprobity  1.000  
284  284  p        -159.1   173.4  Favored  ?        5  134.340     6  0.15     8  0.16  molprobity  1.000  
285  285  ?         103.5   162.6  Favored  ?        3  128.980     4  0.18     5  0.37  molprobity  1.000  
286  286  p        -167.2   158.8  Favored  ?        5  126.600     6  0.16     8  0.21  molprobity  1.000  
287  287  ?          83.3   -98.8  Favored  ?        3  118.510     4  0.28     5  0.39  molprobity  1.000  
288  288  p        -118.2   -16.5  Favored  ?        7  123.670     7  0.24    10  0.66  molprobity  1.000  
289  289  m-20     -113.0   133.9  Favored  ?        4  134.830     8  0.18    11  0.36  molprobity  1.000  
290  290  m-85     -140.3   151.9  Favored  ?        9  121.800    12  0.41    16  0.27  molprobity  1.000  
291  291  m        -139.3   130.9  Favored  ?        7  128.440     7  0.27    10  0.61  molprobity  1.000  
292  292  tp       -108.4   113.0  Favored  ?       11  124.290     8  0.22    11  0.21  molprobity  1.000  
293  293  m        -107.5   137.2  Favored  ?        5  136.480     6  0.22     8  0.60  molprobity  1.000  
294  294  mt       -117.9   116.6  Favored  ?       11  139.230     8  0.23    11  0.47  molprobity  1.000  
295  295  t30       -87.8   118.3  Favored  ?        6  163.730     8  0.22    11  0.37  molprobity  1.000  
296  296  p          58.1    88.1  Allowed  ?        5  163.100     6  0.33     8  0.41  molprobity  1.000  
297  297  t         -70.7   136.8  Favored  ?        9  158.840     7  0.15    10  0.48  molprobity  1.000  
298  298  pt-20    -123.5   175.6  Favored  ?        6  162.290     9  0.17    12  0.37  molprobity  1.000  
299  299  m         -57.7   -33.6  Favored  ?        5  158.720     6  0.22     8  0.57  molprobity  1.000  
300  300  pt-20     -71.7   -13.4  Favored  ?        6  162.550     9  0.19    12  0.32  molprobity  1.000  
301  301  m-20      -80.0    -7.5  Favored  ?        4  147.680     8  0.17    11  0.26  molprobity  1.000  
302  302  mt        -66.1   106.8  Allowed  ?       11  146.590     8  0.20    11  0.49  molprobity  1.000  
303  303  ?        -168.4  -170.8  Allowed  ?        5  130.620     5  0.19     7  0.35  molprobity  1.000  
304  304  m-20     -100.4   141.6  Favored  ?        6  127.670     8  0.23    11  0.26  molprobity  1.000  
305  305  m-85     -120.6   123.8  Favored  ?        9  121.970    13  0.26    18  0.25  molprobity  1.000  
306  306  m-85     -116.4   146.0  Favored  ?        9  118.790    13  0.26    18  0.37  molprobity  1.000  
307  307  p        -111.7   148.7  Favored  ?        4  117.700     6  0.19     8  0.44  molprobity  1.000  
308  308  tm0?     -146.1   124.5  Favored  ?        8  107.410     9  0.20    12  0.30  molprobity  1.000  
309  309  pp0?      -92.7   150.7  Favored  ?        8  106.950     9  0.21    12  0.38  molprobity  1.000  
310  310  p        -134.3    28.9  Favored  ?        5  107.030     6  0.19     8  0.30  molprobity  1.000  
311  311  t-20      -85.4   -38.0  Favored  ?        6  107.400     8  0.17    11  0.29  molprobity  1.000  
312  312  mtt-85   -135.4   147.4  Favored  ?       13  115.160    11  0.17    14  0.29  molprobity  1.000  
313  313  t90       -80.1   137.9  Favored  Y       10  118.780    16  0.18    24  0.33  molprobity  1.000  
314  314  Cg_endo   -85.8   162.0  Favored  ?        7  116.800     8  0.16    11  0.26  molprobity  1.000  
315  315  m-30      -63.5   144.5  Favored  ?        9  111.420    12  0.30    16  0.35  molprobity  1.000  
316  316  p        -134.0   154.6  Favored  ?        7  109.450     7  0.24    10  0.61  molprobity  1.000  
317  317  m-85     -107.2   159.6  Favored  ?        9  109.780    12  0.32    16  0.23  molprobity  1.000  
318  318  ?         -78.7   171.4  Favored  ?        3  113.400     4  0.28     5  0.63  molprobity  1.000  
319  319  p         -76.3   -19.0  Favored  ?        5  121.110     6  0.17     8  0.19  molprobity  1.000  
320  320  ?          95.9   151.7  Favored  ?        3  119.840     4  0.16     5  0.32  molprobity  1.000  
321  321  m        -135.0   127.0  Favored  ?        7  124.290     7  0.26    10  0.62  molprobity  1.000  
322  322  tptm      -88.1   136.3  Favored  ?       13  138.690     9  0.25    11  0.23  molprobity  1.000  
323  323  tp       -103.2   124.5  Favored  ?       11  141.000     8  0.20    11  0.25  molprobity  1.000  
324  324  mt-10    -113.5   153.9  Favored  ?        6  154.630     9  0.20    12  0.31  molprobity  1.000  
325  325  mt       -123.5   126.2  Favored  ?       11  157.020     8  0.19    11  0.50  molprobity  1.000  
326  326  mtmt      -89.8    84.9  Favored  ?       13  168.020     9  0.20    11  0.25  molprobity  1.000  
327  327  ptm180    -90.0   179.9  Favored  ?       13  166.170    11  0.15    14  0.33  molprobity  1.000  
328  328  ?         -70.0   153.1  Favored  ?        5  172.820     5  0.13     7  0.26  molprobity  1.000  
329  329  m-20      -65.8   140.0  Favored  ?        4  172.380     8  0.16    11  0.25  molprobity  1.000  
330  330  ?        -134.7   134.4  Favored  ?        5  167.280     5  0.17     7  0.23  molprobity  1.000  
331  331  ?         -76.5   141.9  Favored  ?        5  171.450     5  0.10     8  0.40  molprobity  1.000  
332  332  Cg_endo   -71.5   135.9  Favored  ?        7  172.900     8  0.15    11  0.23  molprobity  1.000  
333  333  m         -85.8   117.4  Favored  ?        7  173.880     7  0.21    10  0.72  molprobity  1.000  
334  334  t        -101.6   131.1  Favored  ?        9  183.050     7  0.27    10  0.48  molprobity  1.000  
335  335  m        -135.8   132.3  Favored  ?        5  189.090     6  0.19     8  0.20  molprobity  1.000  
336  336  tt       -112.4   140.3  Favored  ?       11  200.460     8  0.19    11  0.36  molprobity  1.000  
337  337  m-85     -129.9   123.3  Favored  ?        9  202.240    12  0.36    17  0.47  molprobity  1.000  
338  338  Cg_exo    -68.1   158.4  Favored  ?        7  216.300     8  0.16    12  0.47  molprobity  1.000  
339  339  Cg_exo    -62.8   139.7  Favored  ?        7  219.640     8  0.16    11  0.20  molprobity  1.000  
340  340  p         -73.5   156.6  Favored  ?        5  228.410     6  0.20     8  0.25  molprobity  1.000  
341  341  p         -65.3   -32.2  Favored  ?        5  239.600     6  0.20     8  0.37  molprobity  1.000  
342  342  mp0       -60.8   -37.2  Favored  ?        6  237.070     9  0.20    12  0.31  molprobity  1.000  
343  343  tt0       -76.8   -38.9  Favored  ?        8  226.830     9  0.21    12  0.30  molprobity  1.000  
344  344  mt        -61.0   -29.6  Favored  ?       11  241.690     8  0.16    11  0.22  molprobity  1.000  
345  345  m         -60.1   -39.8  Favored  ?        7  249.530     7  0.32    10  0.55  molprobity  1.000  
346  346  p         -86.3     9.3  Favored  ?        5  245.180     6  0.19     8  0.27  molprobity  1.000  
347  347  ?          83.6    10.2  Favored  ?        3  245.770     4  0.17     5  0.31  molprobity  1.000  
348  348  ?        -113.6   163.0  Favored  ?        3  238.410     4  0.24     5  0.25  molprobity  1.000  
349  349  ?        -155.6   109.2  Favored  ?        5  230.260     5  0.18     7  0.26  molprobity  1.000  
350  350  m        -115.6   125.3  Favored  ?        5  219.900     6  0.19     8  0.38  molprobity  1.000  
351  351  t         -98.7   122.8  Favored  ?        9  211.750     7  0.20    10  0.48  molprobity  1.000  
352  352  t        -115.1   129.2  Favored  ?        9  200.810     7  0.23    10  0.65  molprobity  1.000  
353  353  t        -117.5   128.5  Favored  ?        4  194.850     6  0.18     8  0.41  molprobity  1.000  
354  354  m-30     -108.5   125.1  Favored  ?        9  183.130    12  0.41    16  0.39  molprobity  1.000  
355  355  mp       -110.2    93.2  Favored  ?       11  177.700     8  0.23    11  1.14  molprobity  1.000  
356  356  m-20     -106.5   145.1  Favored  ?        6  172.530     8  0.17    11  0.83  molprobity  1.000  
357  357  m120       57.6    61.6  Favored  ?        6  172.500     8  0.23    11  0.46  molprobity  1.000  
358  358  p90      -121.4   161.8  Favored  ?        9  165.360    12  0.31    16  0.24  molprobity  1.000  
359  359  t80      -155.2   133.9  Favored  Y        9  166.070    13  0.25    19  0.27  molprobity  1.000  
360  360  Cg_endo   -74.5  -179.1  Favored  ?        7  168.220     8  0.15    11  0.35  molprobity  1.000  
361  361  pttm      -74.5   -18.0  Favored  ?       13  175.520     9  0.19    11  0.38  molprobity  1.000  
362  362  m-20      -69.5   123.5  Favored  ?        4  177.520     8  0.16    11  0.24  molprobity  1.000  
363  363  tt       -160.7   152.8  Favored  ?       11  172.050     8  0.20    11  0.33  molprobity  1.000  
364  364  m-80     -125.4   138.5  Favored  ?        6  185.140     8  0.26    11  0.31  molprobity  1.000  
365  365  p        -121.3   139.3  Favored  ?        9  189.870     7  0.22    10  0.30  molprobity  1.000  
366  366  ttmt     -131.1   133.3  Favored  ?       13  204.500     9  0.24    11  0.24  molprobity  1.000  
367  367  m95       -97.2   148.3  Favored  ?       10  205.350    16  0.18    23  0.21  molprobity  1.000  
368  368  mttt     -139.3   130.8  Favored  ?       13  214.270     9  0.29    11  0.29  molprobity  1.000  
369  369  mt       -117.7   117.0  Favored  ?       11  222.810     8  0.18    11  0.43  molprobity  1.000  
370  370  m-20       54.6    33.0  Favored  ?        4  229.330     8  0.12    11  0.22  molprobity  1.000  
371  371  ?          91.1    -6.5  Favored  ?        3  219.780     4  0.25     5  0.21  molprobity  1.000  
372  372  m        -110.3   121.9  Favored  ?        5  221.700     6  0.17     8  0.47  molprobity  1.000  
373  373  tt0       -49.7   139.3  Favored  ?        6  219.270     9  0.27    12  0.46  molprobity  1.000  
374  374  tpt180   -129.6   136.4  Favored  ?       13  225.890    11  0.21    14  0.31  molprobity  1.000  
375  375  mt-30    -127.9   -28.1  Favored  ?        8  229.610     9  0.27    12  0.30  molprobity  1.000  
376  376  m-20      -70.8   140.7  Favored  ?        6  236.770     8  0.23    11  0.26  molprobity  1.000  
377  377  ?          80.1     9.9  Favored  ?        3  221.770     4  0.24     5  0.24  molprobity  1.000  
378  378  t        -100.5   122.6  Favored  ?        9  210.490     7  0.16    10  0.54  molprobity  1.000  
379  379  mt       -118.5   127.5  Favored  ?       11  199.920     8  0.21    11  0.26  molprobity  1.000  
380  380  m-20     -107.2   151.8  Favored  ?        6  187.430     8  0.20    11  0.39  molprobity  1.000  
381  381  t        -147.7   128.5  Favored  ?        5  173.220     6  0.18     8  0.22  molprobity  1.000  
382  382  m-90     -111.0   134.6  Favored  ?       10  171.260    16  0.13    23  0.15  molprobity  1.000  
383  383  p         -81.8   158.7  Favored  ?        7  164.400     7  0.26    10  0.62  molprobity  1.000  
384  384  m-20      -75.2   174.6  Favored  ?        4  167.210     8  0.20    11  0.41  molprobity  1.000  
385  385  tt0       -61.5   126.5  Favored  ?        8  156.420     9  0.21    12  0.32  molprobity  1.000  
386  386  t0        -68.2   127.7  Favored  ?        4  165.340     8  0.13    11  0.26  molprobity  1.000  
387  387  p         -80.3     7.6  Favored  ?        5  157.210     6  0.19     8  0.21  molprobity  1.000  
388  388  mmtm      -96.0   -40.0  Favored  ?       13  177.890     9  0.21    11  0.21  molprobity  1.000  
389  389  p-10     -148.3    18.7  Allowed  ?        4  171.000     8  0.18    11  0.43  molprobity  1.000  
390  390  m          60.0    23.8  Favored  ?        5  163.410     6  0.30     8  0.40  molprobity  1.000  
391  391  p        -105.8   177.4  Favored  ?        7  165.880     7  0.21    10  0.64  molprobity  1.000  
392  392  m-85     -121.0   158.2  Favored  ?        9  161.690    13  0.17    18  0.24  molprobity  1.000  
393  393  m        -144.3   153.3  Favored  ?        5  168.880     6  0.19     8  0.27  molprobity  1.000  
394  394  ttt      -143.7   139.1  Favored  ?        9  181.040     8  0.27    10  0.29  molprobity  1.000  
395  395  p        -117.1   136.5  Favored  ?        5  181.680     6  0.19     8  0.30  molprobity  1.000  
396  396  t        -127.1   116.1  Favored  ?        5  192.950     6  0.20     8  0.26  molprobity  1.000  
397  397  m        -112.3   120.5  Favored  ?        7  203.090     7  0.22    10  0.68  molprobity  1.000  
398  398  tp       -101.4   107.8  Favored  ?       11  217.610     8  0.18    11  0.23  molprobity  1.000  
399  399  m        -106.4   125.5  Favored  ?        7  224.430     7  0.23    10  0.77  molprobity  1.000  
400  400  mt       -128.4   170.4  Favored  ?       11  234.970     8  0.20    11  0.55  molprobity  1.000  
401  401  p         -76.7   163.2  Favored  ?        7  245.380     7  0.27    10  0.72  molprobity  1.000  
402  402  ttpt      -61.7   -42.3  Favored  ?       13  254.970     9  0.24    11  0.26  molprobity  1.000  
403  403  m-20      -60.3   -44.2  Favored  ?        4  263.800     8  0.16    11  0.29  molprobity  1.000  
404  404  tp10      -66.8   -38.5  Favored  ?        6  254.550     9  0.25    12  0.38  molprobity  1.000  
405  405  t80       -69.8   -30.9  Favored  ?        9  235.610    13  0.21    18  0.31  molprobity  1.000  
406  406  mm-40     -80.1    -9.2  Favored  ?        6  250.090     9  0.22    12  0.43  molprobity  1.000  
407  407  ptt180   -106.1    20.1  Favored  ?       13  254.900    11  0.15    14  0.46  molprobity  1.000  
408  408  m-70     -134.2   154.5  Favored  ?        7  243.250    11  0.15    15  0.27  molprobity  1.000  
409  409  m-20     -106.2   -58.1  Allowed  ?        6  243.630     8  0.25    11  0.52  molprobity  1.000  
410  410  t         -98.5   128.6  Favored  ?        5  227.900     6  0.23     8  0.33  molprobity  1.000  
411  411  m-85     -120.2   135.2  Favored  ?        9  222.590    13  0.24    18  0.25  molprobity  1.000  
412  412  m        -138.6   131.8  Favored  ?        7  210.180     7  0.30    10  0.55  molprobity  1.000  
413  413  t        -113.4   130.1  Favored  ?        4  205.230     6  0.18     8  0.22  molprobity  1.000  
414  414  mt-10    -121.8   128.1  Favored  ?        6  199.230     9  0.19    12  0.31  molprobity  1.000  
415  415  ?        -110.7   125.7  Favored  ?        5  185.480     5  0.27     7  0.40  molprobity  1.000  
416  416  m        -114.1   117.8  Favored  ?        7  180.100     7  0.33    10  0.78  molprobity  1.000  
417  417  t-80     -142.1   157.7  Favored  ?        7  175.970    11  0.27    15  0.38  molprobity  1.000  
418  418  ptmt      -66.9   -17.8  Favored  ?       13  184.040     9  0.32    11  0.37  molprobity  1.000  
419  419  p         -70.8   -10.3  Favored  ?        7  180.940     7  0.19    10  0.64  molprobity  1.000  
420  420  t        -151.0   138.9  Favored  ?        5  194.100     6  0.21     8  0.20  molprobity  1.000  
421  421  p         -72.2   -29.6  Favored  ?        7  199.010     7  0.22    10  0.62  molprobity  1.000  
422  422  m         -93.2   144.7  Favored  ?        5  202.290     6  0.15     9  0.38  molprobity  1.000  
423  423  Cg_endo   -73.7   138.1  Favored  ?        7  199.940     8  0.15    11  0.21  molprobity  1.000  
424  424  mt        -82.8   113.0  Favored  ?       11  194.320     8  0.18    11  0.46  molprobity  1.000  
425  425  t        -113.4   127.6  Favored  ?        9  200.830     7  0.16    10  0.57  molprobity  1.000  
426  426  mmtt     -125.0   127.0  Favored  ?       13  204.570     9  0.29    11  0.29  molprobity  1.000  
427  427  m        -136.0   164.2  Favored  ?        5  210.480     6  0.21     8  0.35  molprobity  1.000  
428  428  p90      -151.2   147.3  Favored  ?        9  222.360    12  0.33    16  0.28  molprobity  1.000  
429  429  m-80      -96.2   132.1  Favored  ?        6  237.420     8  0.25    11  0.29  molprobity  1.000  
430  430  ttp85     -58.1   -32.6  Favored  ?       13  242.180    11  0.17    14  0.40  molprobity  1.000  
431  431  p30           ?       ?  ?        ?        6  247.590     8  0.22     8  0.35  molprobity  1.000  
432  432  ?             ?       ?  ?        ?        4  175.130     5  0.20     7  0.53  molprobity  1.000  
433  433  t        -125.1   -65.5  Allowed  ?        5  168.490     6  0.30     8  0.41  molprobity  1.000  
434  434  p80       -73.1   -31.2  Favored  ?        7  158.710    11  0.18    15  0.27  molprobity  1.000  
435  435  ?         -70.1   -44.2  Favored  ?        2  154.500     5  0.26     7  0.55  molprobity  1.000  
436  436  OUTLIER   -57.8   -48.0  Favored  ?       13  167.380    11  0.21    14  0.36  molprobity  1.000  
437  437  ?         -59.0   -55.3  Favored  ?        5  148.440     5  0.09     7  0.26  molprobity  1.000  
438  438  ?         -58.5   -31.0  Favored  ?        5  142.070     5  0.24     7  0.31  molprobity  1.000  
439  439  ?         -64.5   -48.4  Favored  ?        3  142.040     4  0.30     5  0.68  molprobity  1.000  
440  440  ?         -61.1   -36.2  Favored  ?        5  140.680     5  0.17     7  0.29  molprobity  1.000  
441  441  ?         -73.3   -29.5  Favored  ?        5  131.600     5  0.18     7  0.31  molprobity  1.000  
442  442  m         -67.5   -51.5  Favored  ?        7  133.100     7  0.27    10  0.62  molprobity  1.000  
443  443  t         -55.6   -52.4  Favored  ?        9  130.000     7  0.25    10  0.58  molprobity  1.000  
444  444  tp        -55.8   -39.6  Favored  ?       11  131.210     8  0.18    11  0.26  molprobity  1.000  
445  445  tp        -64.2   -44.9  Favored  ?       11  118.250     8  0.20    11  0.25  molprobity  1.000  
446  446  t         -59.0   -51.0  Favored  ?        9  118.360     7  0.30    10  0.41  molprobity  1.000  
447  447  mt        -52.7   -48.2  Favored  ?       11  115.110     8  0.23    11  0.48  molprobity  1.000  
448  448  t         -63.2   -36.6  Favored  ?        9  111.270     7  0.19    10  0.34  molprobity  1.000  
449  449  mt        -62.3   -51.7  Favored  ?       11  108.680     8  0.23    11  0.25  molprobity  1.000  
450  450  mt        -61.3   -62.0  Favored  ?       11  115.620     8  0.41    11  0.29  molprobity  1.000  
451  451  ?         -54.6   -37.8  Favored  ?        5  107.820     5  0.10     7  0.20  molprobity  1.000  
452  452  ?         -64.3   -39.1  Favored  ?        3  108.790     4  0.33     5  0.33  molprobity  1.000  
453  453  m         -65.2   -50.7  Favored  ?        5  110.280     6  0.26     8  0.33  molprobity  1.000  
454  454  t80       -53.1   -54.7  Favored  ?        9  118.050    13  0.30    18  0.29  molprobity  1.000  
455  455  mt        -62.8   -31.3  Favored  ?       11  110.260     8  0.19    11  0.31  molprobity  1.000  
456  456  ?         -64.8   -47.9  Favored  ?        5  104.610     5  0.19     7  0.40  molprobity  1.000  
457  457  t         -60.6   -42.4  Favored  ?        9  107.190     7  0.17    10  0.36  molprobity  1.000  
458  458  tp        -64.6   -33.8  Favored  ?       11  118.260     8  0.28    11  0.30  molprobity  1.000  
459  459  ?         -86.1   -36.3  Favored  ?        5  109.460     5  0.16     7  0.27  molprobity  1.000  
460  460  ?         -73.9   -36.5  Favored  ?        2  111.620     5  0.18     7  0.24  molprobity  1.000  
461  461  mtt180    -66.0   129.5  Favored  ?       13  116.370    11  0.13    14  0.31  molprobity  1.000  
462  462  ?         116.2   -17.0  Favored  ?        3  124.080     4  0.28     5  0.57  molprobity  1.000  
463  463  ?        -105.3   115.3  Favored  ?        5  120.110     5  0.17     8  0.72  molprobity  1.000  
464  464  Cg_exo    -58.4   117.9  Favored  ?        7  121.790     8  0.17    11  0.20  molprobity  1.000  
465  465  ?         110.7   -19.1  Favored  ?        3  114.590     4  0.25     5  0.21  molprobity  1.000  
466  466  ?         -64.1   136.3  Favored  ?        5  106.960     5  0.13     7  0.25  molprobity  1.000  
467  467  mt-30    -105.7   -17.6  Favored  ?        8  109.560     9  0.25    12  0.37  molprobity  1.000  
468  468  tp        -82.3    58.5  Favored  ?       11  105.330     8  0.14    11  0.61  molprobity  1.000  
469  469  pt       -121.3     6.1  Favored  ?       11  105.800     8  0.18    11  0.77  molprobity  1.000  
470  470  p        -131.7   147.9  Favored  ?        7  109.390     7  0.19    10  0.66  molprobity  1.000  
471  471  m-85      -62.2   -46.1  Favored  ?        9  113.830    13  0.32    19  0.68  molprobity  1.000  
472  472  Cg_exo    -60.9   -53.4  Favored  ?        7  106.800     8  0.30    11  0.38  molprobity  1.000  
473  473  ptp180    -66.5   -22.7  Favored  ?       13  108.500    11  0.16    14  0.45  molprobity  1.000  
474  474  ?         -72.1   -35.1  Favored  ?        5  102.240     5  0.22     7  0.41  molprobity  1.000  
475  475  tp        -65.3   -46.9  Favored  ?       11  106.860     8  0.23    11  0.38  molprobity  1.000  
476  476  t-105     -55.2   -46.4  Favored  ?       10  101.780    16  0.35    23  0.24  molprobity  1.000  
477  477  t90       -61.9   -43.8  Favored  ?       10   94.590    16  0.21    23  0.20  molprobity  1.000  
478  478  p         -59.6   -40.2  Favored  ?        5   99.140     6  0.29     8  0.28  molprobity  1.000  
479  479  t         -65.8   -48.2  Favored  ?        9  101.790     7  0.18    10  0.45  molprobity  1.000  
480  480  pt-20     -74.0    -6.4  Favored  ?        6   97.870     9  0.16    12  0.31  molprobity  1.000  
481  481  m         -93.8   -45.8  Favored  ?        7   94.310     7  0.20    10  0.54  molprobity  1.000  
482  482  ?         -63.2   -31.3  Favored  ?        5   94.950     5  0.19     7  0.22  molprobity  1.000  
483  483  p         -86.0     1.5  Favored  ?        7   92.300     7  0.24    10  0.68  molprobity  1.000  
484  484  p          56.1    33.9  Favored  ?        6   88.160     7  0.34    10  0.73  molprobity  1.000  
485  485  t         -83.2   -54.0  Favored  ?        9   85.630     7  0.13    10  0.40  molprobity  1.000  
486  486  ?          53.8    66.1  Favored  ?        3   84.790     4  0.28     5  0.59  molprobity  1.000  
487  487  m-85      -53.7   -42.7  Favored  ?        9   88.820    13  0.28    18  0.26  molprobity  1.000  
488  488  ?         103.9     4.7  Favored  ?        3   90.720     4  0.21     5  0.43  molprobity  1.000  
489  489  p-10      -68.8   -32.1  Favored  ?        4   94.520     8  0.17    11  0.31  molprobity  1.000  
490  490  mt       -140.5   142.0  Favored  ?       11   94.040     8  0.15    11  0.47  molprobity  1.000  
491  491  p90      -166.1   152.6  Favored  ?        9   90.940    13  0.26    19  0.37  molprobity  1.000  
492  492  Cg_endo   -71.9   155.0  Favored  ?        7   95.870     8  0.14    11  0.23  molprobity  1.000  
493  493  m        -124.7   -11.4  Favored  ?        9  100.920     7  0.16    10  0.46  molprobity  1.000  
494  494  p         -96.2   167.5  Favored  ?        7  106.370     7  0.21    10  0.69  molprobity  1.000  
495  495  tp        -65.0   -57.0  Favored  ?       11  105.080     8  0.20    11  0.28  molprobity  1.000  
496  496  m95       -64.8   -36.6  Favored  ?       10  116.950    16  0.25    23  0.30  molprobity  1.000  
497  497  ?         -61.6   -35.9  Favored  ?        3  102.470     4  0.27     5  0.62  molprobity  1.000  
498  498  mtt180    -76.2   -32.9  Favored  ?       13  101.750    11  0.15    14  0.36  molprobity  1.000  
499  499  mt        -65.6   -46.4  Favored  ?       11   59.960     8  0.26    11  0.41  molprobity  1.000  
500  500  t         -56.0   -42.5  Favored  ?        9  101.120     7  0.15    10  0.49  molprobity  1.000  
501  501  ?         -58.5   -44.5  Favored  ?        5   99.540     5  0.13     7  0.23  molprobity  1.000  
502  502  t         -59.8   -47.0  Favored  ?        9   99.480     7  0.25    10  0.51  molprobity  1.000  
503  503  t         -57.0   -43.7  Favored  ?        9   96.850     7  0.16    10  0.35  molprobity  1.000  
504  504  t         -63.5   -47.1  Favored  ?        9   96.660     7  0.17    10  0.44  molprobity  1.000  
505  505  mtt       -55.6   -51.8  Favored  ?        9  100.520     8  0.21    10  0.51  molprobity  1.000  
506  506  t         -61.7   -43.6  Favored  ?        9  101.110     7  0.15    10  0.39  molprobity  1.000  
507  507  ?         -64.2   -39.5  Favored  ?        5  104.570     5  0.13     7  0.19  molprobity  1.000  
508  508  ?         -68.1   -49.1  Favored  ?        3  101.460     4  0.19     5  0.31  molprobity  1.000  
509  509  mt        -60.4   -38.1  Favored  ?       11  100.840     8  0.20    11  0.41  molprobity  1.000  
510  510  m         -68.8   -39.9  Favored  ?        7  109.620     7  0.29    10  0.60  molprobity  1.000  
511  511  m         -66.6   -57.8  Favored  ?        5  112.760     6  0.19     8  0.16  molprobity  1.000  
512  512  m-85      -62.6   -33.5  Favored  ?        9  110.820    12  0.35    16  0.25  molprobity  1.000  
513  513  ?         -70.9   -26.6  Favored  ?        3  113.710     4  0.25     5  0.42  molprobity  1.000  
514  514  tt        -79.7   -30.7  Favored  ?       11  122.410     8  0.21    11  0.43  molprobity  1.000  
515  515  t         -68.2   -44.9  Favored  ?        9  119.270     7  0.14    10  0.37  molprobity  1.000  
516  516  m         -58.3   -43.7  Favored  ?        7  119.930     7  0.31    10  0.61  molprobity  1.000  
517  517  ?         -62.0   -36.8  Favored  ?        5  127.490     5  0.13     7  0.26  molprobity  1.000  
518  518  ?         -68.9   -38.7  Favored  ?        5  133.790     5  0.15     7  0.22  molprobity  1.000  
519  519  mt        -65.4   -42.1  Favored  ?       11  131.480     8  0.19    11  0.35  molprobity  1.000  
520  520  ?         -61.9   -41.9  Favored  ?        5  134.610     5  0.17     7  0.30  molprobity  1.000  
521  521  m         -65.0   -44.0  Favored  ?        7  140.500     7  0.20    10  0.52  molprobity  1.000  
522  522  t90       -59.0   -48.7  Favored  ?       10  147.080    16  0.17    23  0.19  molprobity  1.000  
523  523  m-30      -64.1   -40.1  Favored  ?        9  143.180    12  0.42    16  0.24  molprobity  1.000  
524  524  t         -62.2   -44.8  Favored  ?        9  148.180     7  0.14    10  0.38  molprobity  1.000  
525  525  ?         -63.5   -46.5  Favored  ?        3  157.610     4  0.25     5  0.20  molprobity  1.000  
526  526  OUTLIER   -63.6   -28.2  Favored  ?        5  160.000     6  0.14     8  0.31  molprobity  1.000  
527  527  tp10      -76.0   -31.7  Favored  ?        6  165.630     9  0.31    12  0.30  molprobity  1.000  
528  528  mm-40     -65.3   -40.0  Favored  ?        8  168.330     9  0.20    12  0.37  molprobity  1.000  
529  529  mt-10     -68.8   -38.0  Favored  ?        6  171.330     9  0.20    12  0.33  molprobity  1.000  
530  530  ttt-85    -66.6   -23.9  Favored  ?       13  169.860    11  0.17    14  0.35  molprobity  1.000  
531  531  mtt180    -93.6     8.2  Favored  ?       13  173.260    11  0.16    14  0.33  molprobity  1.000  
532  532  ?          81.6    33.6  Favored  ?        3  168.220     4  0.25     5  0.30  molprobity  1.000  
533  533  ?             ?       ?  ?        ?        2  171.060     5  0.13     4  0.20  molprobity  1.000  
534  534  ?             ?       ?  ?        ?        ?   84.680     ?     ?     ?     ?  ?           0.250  
535  535  ?             ?       ?  ?        ?        ?   85.540     ?     ?     ?     ?  ?           0.250  
536  536  ?             ?       ?  ?        ?        ?   87.160     ?     ?     ?     ?  ?           0.250  
537  537  ?             ?       ?  ?        ?        ?   87.370     ?     ?     ?     ?  ?           0.250  
#
loop_
_pdbx_vrpt_instance_clashes.ordinal
_pdbx_vrpt_instance_clashes.instance_id
_pdbx_vrpt_instance_clashes.label_atom_id
_pdbx_vrpt_instance_clashes.cid
_pdbx_vrpt_instance_clashes.clashmag
_pdbx_vrpt_instance_clashes.dist
 1   20  HD22   1  0.44  2.00  
 2   38  HB2    2  0.47  1.96  
 3   48  HD11   2  0.47  1.96  
 4   83  HB3    3  0.59  1.83  
 5   86  HD21   3  0.59  1.83  
 6  112  HG21   1  0.44  2.00  
 7  124  HB3    4  0.42  2.01  
 8  150  HB3    4  0.42  2.01  
 9  159  CZ3    5  0.43  2.54  
10  200  HB3    5  0.43  2.54  
11  221  HD11   6  0.49  1.93  
12  238  HG12   7  0.48  1.96  
13  256  HB2    8  0.64  1.79  
14  258  HG2    9  0.48  1.93  
15  266  HD11   8  0.64  1.79  
16  280  NH1   10  0.55  2.40  
17  294  HB     7  0.48  1.96  
18  301  OD1   10  0.55  2.40  
19  303  HB2    9  0.48  1.93  
20  312  HG2   11  0.52  1.90  
21  312  HD2    6  0.49  1.93  
22  334  HA    12  0.42  2.19  
23  337  HA    13  0.42  1.85  
24  338  HD3   13  0.42  1.85  
25  354  O     12  0.42  2.19  
26  414  HG2   14  0.49  1.94  
27  425  HG22  14  0.49  1.94  
28  467  HG2   11  0.52  1.90  
29  477  HA    15  0.45  1.98  
30  480  HG2   15  0.45  1.98  
31  496  CE3   16  0.58  2.38  
32  498  O     17  0.44  2.17  
33  499  HD12  16  0.58  2.38  
34  502  HG23  17  0.44  2.17  
35  524  O     18  0.43  2.17  
36  528  HG2   18  0.43  2.17  
#
loop_
_pdbx_vrpt_model_instance_density.ordinal
_pdbx_vrpt_model_instance_density.instance_id
_pdbx_vrpt_model_instance_density.natoms_eds
_pdbx_vrpt_model_instance_density.RSRCC
_pdbx_vrpt_model_instance_density.RSR
_pdbx_vrpt_model_instance_density.RSRZ
  1    1   9   0.644  0.593   3.363  
  2    2   7   0.862  0.170  -0.722  
  3    3   9   0.682  0.241  -0.012  
  4    4   8   0.933  0.323   0.484  
  5    5   9   0.940  0.172  -0.673  
  6    6   9   0.862  0.227  -0.146  
  7    7   7   0.927  0.229   0.114  
  8    8   4   0.896  0.263   0.544  
  9    9   5   0.963  0.279   0.576  
 10   10   9   0.866  0.305   0.426  
 11   11   8   0.920  0.360   0.808  
 12   12   7   0.960  0.258   0.063  
 13   13   9   0.946  0.113  -1.352  
 14   14   7   0.940  0.199  -0.184  
 15   15   4   0.758  0.486   2.546  
 16   16   5   0.747  0.360   1.329  
 17   17   6   0.877  0.425   2.324  
 18   18   7   0.956  0.425   1.554  
 19   19   9   0.811  0.415   1.004  
 20   20   8   0.947  0.283   0.133  
 21   21   6   0.922  0.149  -0.572  
 22   22   6   0.939  0.272   0.980  
 23   23   9   0.936  0.168  -0.923  
 24   24   5   0.947  0.249   0.297  
 25   25   6   0.916  0.198  -0.058  
 26   26   4   0.731  0.352   1.343  
 27   27  12   0.852  0.759   4.730  
 28   28   7   0.733  0.220   0.064  
 29   29  11   0.816  0.268   0.034  
 30   30   7   0.821  0.540   3.436  
 31   31   6   0.747  0.518   3.300  
 32   32   8   0.823  0.370   1.577  
 33   33  14   0.975  0.338   0.962  
 34   34   8   0.976  0.381   1.077  
 35   35  10   0.925  0.244   0.188  
 36   36  14   0.932  0.391   1.491  
 37   37   7   0.951  0.265   0.126  
 38   38   9   0.902  0.426   1.090  
 39   39   9   0.935  0.386   1.379  
 40   40  11   0.787  0.473   1.582  
 41   41   7   0.924  0.239   0.214  
 42   42   4   0.870  0.217   0.131  
 43   43  10   0.783  0.477   2.521  
 44   44   4   0.703  0.499   2.662  
 45   45   8   0.922  0.482   1.877  
 46   46   9   0.927  0.373   1.022  
 47   47  14   0.890  0.340   0.982  
 48   48   8   0.952  0.402   1.267  
 49   49   4   0.943  0.282   0.715  
 50   50   9   0.907  0.359   0.899  
 51   51   8   0.959  0.339   0.697  
 52   52   8   0.820  0.523   2.361  
 53   53   7   0.885  0.320   1.020  
 54   54   6   0.821  0.258   0.572  
 55   55  12   0.691  0.579   3.058  
 56   56   4   0.283  0.598   3.551  
 57   57  11  -0.186  0.718   3.517  
 58   58   5   0.557  0.746   4.920  
 59   59   8   0.652  0.714   5.277  
 60   60  12   0.685  0.593   3.188  
 61   61   8   0.841  0.369   1.634  
 62   62   9   0.676  0.786   4.642  
 63   63   9   0.660  0.990   5.489  
 64   64   8   0.769  0.682   3.798  
 65   65   9   0.762  0.877   6.086  
 66   66   9   0.691  0.734   3.492  
 67   67   9   0.773  1.405   8.726  
 68   68   5   0.955  0.511   2.734  
 69   69   7   0.927  0.335   1.276  
 70   70   8   0.922  0.558   2.543  
 71   71   7   0.906  0.578   3.837  
 72   72   5   0.835  0.489   2.529  
 73   73   8   0.849  0.367   1.546  
 74   74   9   0.903  0.315   0.224  
 75   75   6   0.955  0.261   0.603  
 76   76   6   0.884  0.316   1.180  
 77   77   6   0.888  0.251   0.498  
 78   78   7   0.831  0.371   1.655  
 79   79   5   0.964  0.393   1.636  
 80   80  11   0.884  0.506   2.120  
 81   81   8   0.943  0.441   1.920  
 82   82   9   0.867  0.424   1.743  
 83   83   8   0.982  0.715   3.919  
 84   84   6   0.852  0.535   3.478  
 85   85   6   0.835  0.572   3.867  
 86   86   8   0.969  0.918   5.699  
 87   87   7   0.926  0.241   0.286  
 88   88   6   0.909  0.228   0.257  
 89   89   9   0.876  0.395   1.215  
 90   90   8   0.914  0.500   2.915  
 91   91   6   0.944  0.311   1.128  
 92   92   5   0.944  0.270   0.492  
 93   93   7   0.907  0.247  -0.035  
 94   94  12   0.963  0.478   2.121  
 95   95  12   0.915  0.318   0.635  
 96   96   6   0.799  0.154  -0.405  
 97   97   5   0.928  0.261   0.408  
 98   98  11   0.858  0.434   1.274  
 99   99   9   0.882  0.208  -0.424  
100  100  11   0.853  0.385   0.887  
101  101   4   0.932  0.174  -0.255  
102  102   8   0.930  0.175  -0.429  
103  103   4   0.971  0.182  -0.183  
104  104  12   0.921  0.251   0.013  
105  105  11   0.944  0.261  -0.027  
106  106   5   0.897  0.271   0.501  
107  107   7   0.950  0.240  -0.097  
108  108  14   0.911  0.356   1.142  
109  109   4   0.957  0.178  -0.219  
110  110   5   0.902  0.218   0.008  
111  111   4   0.900  0.182  -0.183  
112  112   7   0.928  0.324   1.160  
113  113   7   0.946  0.202  -0.125  
114  114   7   0.960  0.376   1.117  
115  115   7   0.950  0.261   0.496  
116  116   7   0.916  0.304   0.474  
117  117   6   0.828  0.495   3.059  
118  118   6   0.924  0.272   0.719  
119  119   5   0.950  0.504   2.669  
120  120   9   0.938  0.268  -0.143  
121  121   7   0.948  0.221   0.075  
122  122   7   0.960  0.235   0.222  
123  123   7   0.955  0.163  -0.542  
124  124   7   0.937  0.586   3.667  
125  125   6   0.870  0.145  -0.614  
126  126   7   0.894  0.360   0.974  
127  127  12   0.835  0.469   2.037  
128  128   7   0.920  0.451   2.323  
129  129   8   0.967  0.779   4.480  
130  130   5   0.850  0.279   0.576  
131  131   7   0.878  0.299   0.811  
132  132   4   0.227  0.307   0.939  
133  133   6   0.679  0.410   2.167  
134  134   5   0.723  0.485   2.492  
135  135   5   0.880  0.384   1.553  
136  136   9   0.713  0.442   1.916  
137  137   7   0.767  0.355   1.487  
138  138   8   0.893  0.189  -0.267  
139  139   6   0.920  0.146  -0.603  
140  140   8   0.930  0.155  -0.735  
141  141   7   0.926  0.508   2.296  
142  142   7   0.880  0.651   4.606  
143  143   8   0.961  0.452   1.614  
144  144   4   0.947  0.300   0.876  
145  145   6   0.919  0.387   2.330  
146  146   8   0.982  0.489   1.939  
147  147   7   0.974  0.592   3.046  
148  148   9   0.925  0.438   1.183  
149  149   4   0.893  0.120  -0.740  
150  150  12   0.965  0.451   1.870  
151  151  11   0.926  0.528   2.313  
152  152   7   0.839  0.660   4.403  
153  153   9   0.753  0.442   1.627  
154  154   7   0.924  0.281   0.632  
155  155   7   0.920  0.411   1.429  
156  156   7   0.906  0.210  -0.041  
157  157   7   0.812  0.483   2.072  
158  158   7   0.904  0.206  -0.083  
159  159  14   0.882  0.437   1.950  
160  160   8   0.890  0.280   0.694  
161  161   6   0.852  0.243   0.414  
162  162   4   0.946  0.166  -0.327  
163  163   6   0.894  0.193  -0.110  
164  164   8   0.886  0.365   0.852  
165  165   6   0.918  0.187  -0.173  
166  166   6   0.862  0.258   0.572  
167  167   4   0.858  0.295   0.831  
168  168   7   0.923  0.211  -0.356  
169  169  10   0.873  0.418   1.930  
170  170   7   0.959  0.244   0.317  
171  171  11   0.936  0.458   1.699  
172  172   7   0.900  0.220   0.025  
173  173   5   0.920  0.216  -0.010  
174  174   7   0.926  0.270   0.171  
175  175   8   0.864  0.536   2.351  
176  176   9   0.860  0.341   0.947  
177  177   6   0.881  0.230   0.278  
178  178   8   0.866  0.351   1.382  
179  179   8   0.924  0.276   0.072  
180  180  12   0.859  0.373   1.146  
181  181   7   0.940  0.333   1.255  
182  182   8   0.940  0.325   0.501  
183  183   6   0.934  0.573   3.877  
184  184   6   0.977  0.400   2.062  
185  185   6   0.969  0.399   2.051  
186  186   7   0.959  0.245  -0.053  
187  187   7   0.951  0.337   1.297  
188  188   7   0.962  0.455   1.822  
189  189   7   0.813  0.295   0.771  
190  190   6   0.841  0.443   2.513  
191  191   6   0.835  0.149  -0.572  
192  192   6   0.832  0.262   0.614  
193  193  14   0.954  0.439   1.970  
194  194   7   0.916  0.250   0.323  
195  195   6   0.859  0.413   2.198  
196  196   9   0.805  0.770   4.501  
197  197   7   0.769  0.476   2.762  
198  198   7   0.885  0.954   6.278  
199  199   7   0.818  0.323   1.150  
200  200   6   0.860  0.501   3.668  
201  201   8   0.852  0.194  -0.214  
202  202   7   0.979  0.485   2.090  
203  203   5   0.963  0.201  -0.150  
204  204  10   0.866  0.271   0.458  
205  205   7   0.924  0.234   0.164  
206  206   5   0.812  0.265   0.446  
207  207   6   0.875  0.240   0.383  
208  208   6   0.836  0.193  -0.110  
209  209   7   0.970  0.121  -0.979  
210  210   9   0.825  0.372   0.668  
211  211   7   0.896  0.401   1.340  
212  212   8   0.843  0.597   3.913  
213  213   9   0.725  0.531   1.909  
214  214   9   0.764  0.584   2.322  
215  215   8   0.838  0.665   3.645  
216  216   7   0.847  0.220  -0.276  
217  217   7   0.748  0.237   0.194  
218  218  11   0.700  0.427   1.219  
219  219   9   0.467  0.612   4.067  
220  220   8   0.876  0.229   0.127  
221  221   8   0.949  0.288   0.236  
222  222   8   0.966  0.273   0.046  
223  223   8   0.947  0.394   1.106  
224  224   7   0.944  0.239   0.264  
225  225   9   0.924  0.312   0.669  
226  226   6   0.936  0.226   0.236  
227  227   7   0.953  0.219   0.015  
228  228   5   0.957  0.203  -0.131  
229  229   8   0.961  0.230  -0.288  
230  230   8   0.941  0.377   0.957  
231  231   6   0.943  0.228   0.257  
232  232   7   0.904  0.320   0.617  
233  233   6   0.936  0.237   0.352  
234  234   7   0.965  0.251   0.333  
235  235   4   0.802  0.180  -0.201  
236  236   9   0.674  0.275   0.163  
237  237  11   0.773  0.382   0.863  
238  238   7   0.957  0.226  -0.222  
239  239   6   0.954  0.238   0.362  
240  240  11   0.930  0.504   2.103  
241  241   6   0.871  0.304   1.055  
242  242   6   0.936  0.498   3.633  
243  243  11   0.851  0.433   1.266  
244  244   5   0.989  0.329   1.041  
245  245   6   0.953  0.224   0.215  
246  246   9   0.853  0.285   0.410  
247  247   6   0.941  0.205   0.016  
248  248   8   0.964  0.424   1.466  
249  249   4   0.851  0.350   1.325  
250  250   7   0.930  0.260   0.486  
251  251   8   0.930  0.220   0.034  
252  252   8   0.962  0.418   1.411  
253  253  10   0.919  0.239   0.138  
254  254  14   0.939  0.445   2.030  
255  255  12   0.968  0.310   0.561  
256  256   9   0.899  0.236  -0.059  
257  257   9   0.944  0.325   0.794  
258  258  11   0.864  0.217  -0.440  
259  259   7   0.956  0.162  -0.547  
260  260   8   0.890  0.324   1.158  
261  261   4   0.795  0.206   0.032  
262  262   6   0.885  0.234   0.320  
263  263   7   0.976  0.278   0.602  
264  264  11   0.926  0.298   0.200  
265  265   8   0.957  0.318   0.440  
266  266   8   0.981  0.257  -0.095  
267  267   8   0.970  0.228  -0.307  
268  268   9   0.951  0.217  -0.541  
269  269  12   0.951  0.243  -0.061  
270  270   5   0.973  0.299   0.762  
271  271   6   0.882  0.234   0.320  
272  272   9   0.863  0.255  -0.012  
273  273   6   0.964  0.318   1.201  
274  274   8   0.908  0.291   0.263  
275  275   6   0.855  0.245   0.435  
276  276   4   0.940  0.191  -0.102  
277  277   8   0.940  0.172  -0.813  
278  278   7   0.937  0.197  -0.204  
279  279   6   0.951  0.147  -0.593  
280  280  11   0.867  0.204  -0.543  
281  281  11   0.958  0.229  -0.308  
282  282   6   0.872  0.228   0.257  
283  283   4   0.856  0.273   0.634  
284  284   6   0.896  0.191  -0.131  
285  285   4   0.766  0.205   0.023  
286  286   6   0.904  0.200  -0.037  
287  287   4   0.890  0.242   0.355  
288  288   7   0.938  0.378   1.729  
289  289   8   0.831  0.414   2.030  
290  290  11   0.958  0.407   1.252  
291  291   7   0.941  0.212  -0.020  
292  292   8   0.950  0.303   0.309  
293  293   6   0.937  0.150  -0.561  
294  294   8   0.953  0.211  -0.460  
295  295   8   0.819  0.266   0.546  
296  296   6   0.870  0.200  -0.037  
297  297   7   0.957  0.389   1.233  
298  298   9   0.852  0.266   0.084  
299  299   6   0.907  0.187  -0.173  
300  300   9   0.840  0.338   0.715  
301  301   8   0.935  0.272   0.569  
302  302   8   0.876  0.369   0.968  
303  303   5   0.969  0.269   0.483  
304  304   8   0.974  0.281   0.704  
305  305  12   0.939  0.340   0.839  
306  306  12   0.977  0.381   1.220  
307  307   6   0.906  0.351   1.907  
308  308   9   0.931  0.266   0.228  
309  309   9   0.974  0.253   0.104  
310  310   6   0.971  0.285   0.855  
311  311   8   0.938  0.341   1.338  
312  312  11   0.904  0.304   0.247  
313  313  14   0.961  0.245   0.034  
314  314   7   0.969  0.227   0.095  
315  315  11   0.962  0.394   1.138  
316  316   7   0.955  0.225   0.117  
317  317  11   0.947  0.273   0.078  
318  318   4   0.915  0.222   0.176  
319  319   6   0.963  0.132  -0.750  
320  320   4   0.975  0.221   0.167  
321  321   7   0.935  0.344   1.371  
322  322   9   0.935  0.272  -0.112  
323  323   8   0.956  0.419   1.325  
324  324   9   0.863  0.399   1.250  
325  325   8   0.970  0.393   1.185  
326  326   9   0.855  0.341   0.427  
327  327  11   0.891  0.162  -0.874  
328  328   5   0.834  0.088  -1.201  
329  329   8   0.864  0.227   0.106  
330  330   5   0.942  0.168  -0.457  
331  331   5   0.945  0.154  -0.587  
332  332   7   0.929  0.336   1.179  
333  333   7   0.895  0.182  -0.336  
334  334   7   0.918  0.333   0.733  
335  335   6   0.968  0.268   0.677  
336  336   8   0.875  0.449   1.692  
337  337  11   0.940  0.608   3.014  
338  338   7   0.905  0.199  -0.184  
339  339   7   0.906  0.201  -0.164  
340  340   6   0.873  0.298   0.992  
341  341   6   0.939  0.141  -0.656  
342  342   9   0.918  0.205  -0.450  
343  343   9   0.957  0.275   0.314  
344  344   8   0.950  0.207  -0.533  
345  345   7   0.933  0.108  -1.116  
346  346   6   0.877  0.192  -0.121  
347  347   4   0.786  0.133  -0.623  
348  348   4   0.915  0.113  -0.803  
349  349   5   0.907  0.228   0.101  
350  350   6   0.928  0.252   0.509  
351  351   7   0.985  0.251   0.001  
352  352   7   0.975  0.366   1.028  
353  353   6   0.692  0.192   0.041  
354  354  11   0.947  0.553   2.532  
355  355   8   0.971  0.349   0.712  
356  356   8   0.965  0.247   0.345  
357  357   8   0.906  0.373   1.676  
358  358  11   0.961  0.185  -0.693  
359  359  12   0.894  0.106  -1.333  
360  360   7   0.983  0.180  -0.373  
361  361   9   0.832  0.342   0.434  
362  362   8   0.844  0.294   0.795  
363  363   8   0.871  0.390   1.158  
364  364   8   0.838  0.374   1.686  
365  365   7   0.917  0.464   1.903  
366  366   9   0.849  0.469   1.425  
367  367  14   0.864  0.307   0.653  
368  368   9   0.845  0.480   1.511  
369  369   8   0.825  0.351   0.806  
370  370   8   0.911  0.139  -0.799  
371  371   4   0.933  0.140  -0.560  
372  372   6   0.950  0.107  -1.013  
373  373   9   0.588  0.378   1.066  
374  374  11   0.808  0.504   1.827  
375  375   9   0.706  0.567   3.114  
376  376   8   0.684  0.895   7.188  
377  377   4   0.458  0.357   1.388  
378  378   7   0.818  0.381   1.162  
379  379   8   0.874  0.187  -0.708  
380  380   8   0.849  0.359   1.528  
381  381   6   0.898  0.300   1.013  
382  382  14   0.778  0.309   0.673  
383  383   7   0.936  0.155  -0.621  
384  384   8   0.917  0.238   0.219  
385  385   9   0.892  0.192  -0.481  
386  386   8   0.754  0.223   0.065  
387  387   6   0.909  0.148  -0.582  
388  388   9   0.906  0.241  -0.353  
389  389   8   0.945  0.144  -0.748  
390  390   6   0.943  0.170  -0.352  
391  391   7   0.937  0.192  -0.231  
392  392  12   0.868  0.234  -0.145  
393  393   6   0.912  0.176  -0.289  
394  394   8   0.905  0.283   0.453  
395  395   6   0.910  0.234   0.320  
396  396   6   0.939  0.205   0.016  
397  397   7   0.951  0.286   0.760  
398  398   8   0.942  0.293   0.221  
399  399   7   0.935  0.256   0.444  
400  400   8   0.897  0.411   1.255  
401  401   7   0.790  0.391   1.866  
402  402   9   0.668  0.283  -0.026  
403  403   8   0.868  0.223   0.065  
404  404   9   0.933  0.236  -0.179  
405  405  12   0.907  0.242  -0.071  
406  406   9   0.898  0.149  -0.941  
407  407  11   0.840  0.151  -0.961  
408  408  10   0.902  0.125  -1.003  
409  409   8   0.863  0.268   0.567  
410  410   6   0.758  0.278   0.782  
411  411  12   0.936  0.251   0.013  
412  412   7   0.928  0.180  -0.357  
413  413   6   0.837  0.256   0.792  
414  414   9   0.903  0.402   1.276  
415  415   5   0.949  0.344   1.180  
416  416   7   0.915  0.199  -0.157  
417  417  10   0.780  0.234   0.088  
418  418   9   0.904  0.495   1.628  
419  419   7   0.873  0.314   1.055  
420  420   6   0.856  0.169  -0.362  
421  421   7   0.893  0.361   1.550  
422  422   6   0.961  0.175  -0.299  
423  423   7   0.952  0.112  -1.050  
424  424   8   0.888  0.440   1.610  
425  425   7   0.739  0.381   1.162  
426  426   9   0.747  0.416   1.012  
427  427   6   0.774  0.267   0.666  
428  428  11   0.783  0.526   2.295  
429  429   8   0.893  0.284   0.736  
430  430  11   0.795  0.187  -0.677  
431  431   9   0.563  0.594   4.010  
432  432   5   0.587  0.357   1.301  
433  433   6   0.656  0.390   2.365  
434  434  10   0.860  0.153  -0.723  
435  435   5   0.889  0.131  -1.104  
436  436  11   0.859  0.198  -0.590  
437  437   5   0.887  0.129  -0.820  
438  438   5   0.954  0.245   0.260  
439  439   4   0.937  0.209   0.059  
440  440   5   0.927  0.291   0.687  
441  441   5   0.968  0.211  -0.057  
442  442   7   0.960  0.196  -0.189  
443  443   7   0.935  0.324   0.653  
444  444   8   0.939  0.423   1.360  
445  445   8   0.975  0.276   0.072  
446  446   7   0.947  0.209  -0.374  
447  447   8   0.947  0.374   1.014  
448  448   7   0.973  0.374   1.099  
449  449   8   0.971  0.389   1.062  
450  450   8   0.979  0.416   1.299  
451  451   5   0.974  0.346   1.199  
452  452   4   0.984  0.303   0.903  
453  453   6   0.890  0.183  -0.215  
454  454  12   0.920  0.650   3.718  
455  455   8   0.973  0.322   0.475  
456  456   5   0.961  0.193  -0.224  
457  457   7   0.958  0.285   0.304  
458  458   8   0.961  0.496   2.000  
459  459   5   0.971  0.340   1.143  
460  460   5   0.835  0.258   0.014  
461  461  11   0.931  0.281   0.066  
462  462   4   0.914  0.117  -0.767  
463  463   5   0.877  0.222   0.046  
464  464   7   0.902  0.304   0.861  
465  465   4   0.945  0.264   0.553  
466  466   5   0.948  0.335   1.097  
467  467   9   0.838  0.373   1.254  
468  468   8   0.928  0.330   0.545  
469  469   8   0.957  0.314   0.471  
470  470   7   0.962  0.291   0.812  
471  471  12   0.875  0.434   1.712  
472  472   7   0.957  0.200  -0.174  
473  473  11   0.901  0.262  -0.085  
474  474   5   0.981  0.233   0.148  
475  475   8   0.977  0.365   0.852  
476  476  14   0.961  0.241  -0.006  
477  477  14   0.973  0.296   0.543  
478  478   6   0.935  0.300   1.013  
479  479   7   0.938  0.350   0.885  
480  480   9   0.945  0.378   1.066  
481  481   7   0.955  0.323   1.150  
482  482   5   0.987  0.288   0.660  
483  483   7   0.983  0.268   0.570  
484  484   7   0.970  0.270   0.591  
485  485   7   0.972  0.310   0.528  
486  486   4   0.947  0.365   1.460  
487  487  12   0.929  0.414   1.526  
488  488   4   0.967  0.482   2.510  
489  489   8   0.949  0.472   2.627  
490  490   8   0.953  0.462   1.702  
491  491  12   0.932  0.479   2.130  
492  492   7   0.937  0.376   1.577  
493  493   7   0.919  0.274   0.206  
494  494   7   0.948  0.215   0.012  
495  495   8   0.959  0.263  -0.042  
496  496  14   0.934  0.383   1.411  
497  497   4   0.975  0.165  -0.336  
498  498  11   0.922  0.231  -0.329  
499  499   8   0.876  0.316   0.422  
500  500   7   0.986  0.239  -0.106  
501  501   5   0.988  0.184  -0.308  
502  502   7   0.985  0.205  -0.410  
503  503   7   0.979  0.224  -0.240  
504  504   7   0.991  0.254   0.028  
505  505   8   0.945  0.257   0.212  
506  506   7   0.982  0.168  -0.740  
507  507   5   0.984  0.190  -0.252  
508  508   4   0.964  0.167  -0.318  
509  509   8   0.972  0.269   0.064  
510  510   7   0.980  0.254   0.423  
511  511   6   0.970  0.162  -0.435  
512  512  11   0.956  0.317   0.464  
513  513   4   0.971  0.177  -0.228  
514  514   8   0.957  0.262  -0.051  
515  515   7   0.962  0.199  -0.463  
516  516   7   0.972  0.176  -0.399  
517  517   5   0.980  0.161  -0.522  
518  518   5   0.939  0.149  -0.633  
519  519   8   0.933  0.199  -0.603  
520  520   5   0.959  0.134  -0.773  
521  521   7   0.909  0.128  -0.905  
522  522  14   0.958  0.128  -1.134  
523  523  11   0.919  0.218  -0.404  
524  524   7   0.946  0.137  -1.017  
525  525   4   0.928  0.064  -1.242  
526  526   6   0.707  0.191   0.029  
527  527   9   0.912  0.297   0.356  
528  528   9   0.800  0.241  -0.012  
529  529   9   0.887  0.209  -0.415  
530  530  11   0.752  0.644   2.933  
531  531  11   0.567  0.409   1.077  
532  532   4   0.894  0.604   3.605  
533  533   6   0.631  0.434   2.090  
534  534   1   0.944  0.369       ?  
535  535   1   0.867  0.301       ?  
536  536   1   0.983  0.278       ?  
537  537   1   0.974  0.339       ?  
#
loop_
_pdbx_vrpt_software.ordinal
_pdbx_vrpt_software.name
_pdbx_vrpt_software.version
_pdbx_vrpt_software.success_y_or_n
1  molprobity   4.02b-467                                                             Y  
2  mogul        unknown                                                               Y  
3  eds          2.35.1                                                                Y  
4  dcc          '"2.27  (2023-04-10)"'                                                Y  
5  xtriage      1.13                                                                  Y  
6  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
