NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
377401 |
1g8c   |
4552 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1g8c
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 155
_Distance_constraint_stats_list.Viol_count 559
_Distance_constraint_stats_list.Viol_total 949.196
_Distance_constraint_stats_list.Viol_max 0.688
_Distance_constraint_stats_list.Viol_rms 0.0680
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0239
_Distance_constraint_stats_list.Viol_average_violations_only 0.1061
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ILE 3.053 0.663 14 2 "[ .- 1 +. ]"
1 2 LEU 4.173 0.663 14 3 "[ -* 1 +. ]"
1 3 PRO 0.673 0.161 6 0 "[ . 1 . ]"
1 4 TRP 9.180 0.316 5 0 "[ . 1 . ]"
1 5 LYS 4.092 0.409 15 0 "[ . 1 . ]"
1 6 TRP 8.042 0.240 4 0 "[ . 1 . ]"
1 7 PRO 0.745 0.098 12 0 "[ . 1 . ]"
1 8 TRP 5.825 0.261 12 0 "[ . 1 . ]"
1 9 TRP 11.270 0.688 7 6 "[ -*.*+* 1 *. ]"
1 10 PRO 5.222 0.688 7 6 "[ -*.*+* 1 *. ]"
1 11 TRP 14.672 0.363 3 0 "[ . 1 . ]"
1 12 ARG 8.315 0.363 3 0 "[ . 1 . ]"
1 13 ARG 0.670 0.122 14 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 ILE HA 1 1 ILE HB 2.600 2.100 3.100 2.682 2.412 3.034 . 0 0 "[ . 1 . ]" 1
2 1 1 ILE HA 1 1 ILE MG 2.800 2.100 3.500 2.347 2.029 3.145 0.071 16 0 "[ . 1 . ]" 1
3 1 1 ILE HA 1 2 LEU H 2.300 . 2.900 2.589 2.242 3.152 0.252 5 0 "[ . 1 . ]" 1
4 1 1 ILE HB 1 1 ILE MG 2.300 2.100 2.500 2.130 2.106 2.149 . 0 0 "[ . 1 . ]" 1
5 1 1 ILE HB 1 2 LEU H 2.900 2.300 3.500 3.035 2.318 3.633 0.133 7 0 "[ . 1 . ]" 1
6 1 1 ILE MG 1 2 LEU H 4.000 2.500 5.500 3.481 1.837 4.184 0.663 14 2 "[ .- 1 +. ]" 1
7 1 2 LEU H 1 2 LEU HA 2.700 2.200 3.100 2.871 2.364 3.002 . 0 0 "[ . 1 . ]" 1
8 1 2 LEU H 1 2 LEU QB 2.700 . 3.500 2.593 2.030 3.153 . 0 0 "[ . 1 . ]" 1
9 1 2 LEU H 1 2 LEU MD1 3.900 2.300 5.500 3.602 2.292 4.211 0.008 11 0 "[ . 1 . ]" 1
10 1 2 LEU H 1 2 LEU MD2 3.900 2.300 5.500 3.405 1.776 4.603 0.524 5 1 "[ + 1 . ]" 1
11 1 2 LEU H 1 2 LEU HG 2.900 2.300 3.500 2.862 2.292 3.539 0.039 15 0 "[ . 1 . ]" 1
12 1 2 LEU HA 1 2 LEU MD2 3.500 2.100 5.000 3.357 1.854 4.105 0.246 13 0 "[ . 1 . ]" 1
13 1 2 LEU HA 1 3 PRO HD2 2.300 . 2.900 2.313 2.055 2.743 . 0 0 "[ . 1 . ]" 1
14 1 2 LEU HA 1 3 PRO HD3 2.300 . 2.900 2.351 2.116 2.905 0.005 16 0 "[ . 1 . ]" 1
15 1 2 LEU MD1 1 2 LEU HG 2.100 . 2.500 2.134 2.110 2.150 . 0 0 "[ . 1 . ]" 1
16 1 2 LEU MD1 1 4 TRP HE1 5.500 2.600 8.400 5.296 3.103 6.877 . 0 0 "[ . 1 . ]" 1
17 1 2 LEU MD1 1 4 TRP HH2 5.800 2.800 8.800 6.478 5.130 7.346 . 0 0 "[ . 1 . ]" 1
18 1 2 LEU MD1 1 4 TRP HZ2 5.000 2.100 7.800 5.972 4.709 6.550 . 0 0 "[ . 1 . ]" 1
19 1 2 LEU MD2 1 2 LEU HG 2.100 . 2.500 2.129 2.111 2.152 . 0 0 "[ . 1 . ]" 1
20 1 2 LEU MD2 1 3 PRO HD2 5.100 . 8.200 4.211 1.839 5.130 0.161 6 0 "[ . 1 . ]" 1
21 1 2 LEU MD2 1 3 PRO HD3 5.100 . 8.200 4.989 2.652 5.724 . 0 0 "[ . 1 . ]" 1
22 1 3 PRO HA 1 3 PRO HB3 2.600 2.100 3.100 2.312 2.308 2.317 . 0 0 "[ . 1 . ]" 1
23 1 3 PRO HA 1 3 PRO HG2 3.100 2.200 4.000 3.897 3.875 3.918 . 0 0 "[ . 1 . ]" 1
24 1 3 PRO HA 1 3 PRO HG3 3.100 2.200 4.000 3.999 3.982 4.006 0.006 6 0 "[ . 1 . ]" 1
25 1 3 PRO HA 1 4 TRP H 2.900 2.300 3.500 2.872 2.322 3.571 0.071 4 0 "[ . 1 . ]" 1
26 1 3 PRO HB2 1 4 TRP H 3.600 2.200 5.000 3.707 2.147 4.364 0.053 2 0 "[ . 1 . ]" 1
27 1 3 PRO HB2 1 4 TRP HE3 3.500 2.100 4.900 4.706 3.480 4.941 0.041 1 0 "[ . 1 . ]" 1
28 1 3 PRO HD2 1 3 PRO HG2 2.500 . 3.100 2.283 2.270 2.294 . 0 0 "[ . 1 . ]" 1
29 1 3 PRO HD2 1 3 PRO HG3 2.500 . 3.100 2.742 2.712 2.765 . 0 0 "[ . 1 . ]" 1
30 1 3 PRO HD3 1 3 PRO HG2 2.500 . 3.100 2.963 2.945 2.981 . 0 0 "[ . 1 . ]" 1
31 1 3 PRO HD3 1 3 PRO HG3 2.500 . 3.100 2.281 2.268 2.294 . 0 0 "[ . 1 . ]" 1
32 1 4 TRP H 1 4 TRP HA 2.600 2.100 3.100 2.914 2.760 2.986 . 0 0 "[ . 1 . ]" 1
33 1 4 TRP H 1 4 TRP HB2 2.500 . 3.300 3.137 2.112 3.477 0.177 14 0 "[ . 1 . ]" 1
34 1 4 TRP H 1 4 TRP HB3 2.500 . 3.300 3.271 2.392 3.416 0.116 10 0 "[ . 1 . ]" 1
35 1 4 TRP H 1 5 LYS H 2.800 2.200 3.400 2.677 2.176 3.405 0.024 15 0 "[ . 1 . ]" 1
36 1 4 TRP HA 1 4 TRP HB2 2.500 . 3.100 2.698 2.490 2.973 . 0 0 "[ . 1 . ]" 1
37 1 4 TRP HA 1 4 TRP HD1 3.100 2.300 3.900 3.573 3.082 4.188 0.288 3 0 "[ . 1 . ]" 1
38 1 4 TRP HA 1 4 TRP HE3 3.200 2.400 4.000 4.087 3.970 4.227 0.227 2 0 "[ . 1 . ]" 1
39 1 4 TRP HA 1 5 LYS H 2.500 . 3.200 3.129 2.306 3.516 0.316 5 0 "[ . 1 . ]" 1
40 1 4 TRP HB2 1 4 TRP HD1 3.000 . 4.000 3.474 2.715 3.885 . 0 0 "[ . 1 . ]" 1
41 1 4 TRP HB2 1 4 TRP HE3 2.800 . 3.800 2.969 2.405 3.930 0.130 2 0 "[ . 1 . ]" 1
42 1 4 TRP HB3 1 4 TRP HD1 3.000 . 4.000 3.212 2.663 3.843 . 0 0 "[ . 1 . ]" 1
43 1 4 TRP HB3 1 4 TRP HE3 2.800 . 3.800 3.343 2.377 4.032 0.232 10 0 "[ . 1 . ]" 1
44 1 4 TRP HB3 1 5 LYS H 3.500 2.100 4.900 3.475 2.029 4.695 0.071 10 0 "[ . 1 . ]" 1
45 1 4 TRP HD1 1 5 LYS QG 3.500 2.400 4.600 3.616 2.617 4.157 . 0 0 "[ . 1 . ]" 1
46 1 5 LYS H 1 5 LYS HA 2.700 2.300 3.100 2.923 2.764 2.989 . 0 0 "[ . 1 . ]" 1
47 1 5 LYS H 1 5 LYS HB2 2.600 . 3.500 2.515 1.952 3.588 0.088 10 0 "[ . 1 . ]" 1
48 1 5 LYS H 1 5 LYS HB3 2.600 . 3.500 3.292 2.531 3.652 0.152 12 0 "[ . 1 . ]" 1
49 1 5 LYS H 1 5 LYS QD 3.500 2.400 4.700 3.802 1.991 4.211 0.409 15 0 "[ . 1 . ]" 1
50 1 5 LYS H 1 5 LYS QG 2.900 . 3.900 2.730 1.869 3.382 0.031 1 0 "[ . 1 . ]" 1
51 1 5 LYS HA 1 5 LYS HB2 2.500 . 3.100 2.876 2.406 3.037 . 0 0 "[ . 1 . ]" 1
52 1 5 LYS HA 1 5 LYS QG 3.000 2.200 3.800 2.519 2.048 3.331 0.152 2 0 "[ . 1 . ]" 1
53 1 5 LYS HA 1 6 TRP H 2.500 . 3.100 2.556 2.216 3.127 0.027 12 0 "[ . 1 . ]" 1
54 1 5 LYS HB2 1 6 TRP H 3.200 . 4.500 4.011 2.672 4.508 0.008 15 0 "[ . 1 . ]" 1
55 1 5 LYS HB3 1 6 TRP H 3.200 . 4.500 4.003 2.009 4.468 . 0 0 "[ . 1 . ]" 1
56 1 6 TRP H 1 6 TRP HA 2.600 2.100 3.100 2.960 2.788 3.001 . 0 0 "[ . 1 . ]" 1
57 1 6 TRP H 1 6 TRP HB2 2.600 . 3.200 2.460 1.979 3.216 0.021 13 0 "[ . 1 . ]" 1
58 1 6 TRP H 1 6 TRP HB3 2.600 . 3.200 2.915 2.295 3.272 0.072 10 0 "[ . 1 . ]" 1
59 1 6 TRP HA 1 6 TRP HB2 2.400 . 2.900 2.690 2.407 2.914 0.014 10 0 "[ . 1 . ]" 1
60 1 6 TRP HA 1 6 TRP HB3 2.400 . 2.900 2.906 2.772 3.011 0.111 9 0 "[ . 1 . ]" 1
61 1 6 TRP HA 1 6 TRP HD1 2.700 . 3.500 3.390 3.198 3.685 0.185 9 0 "[ . 1 . ]" 1
62 1 6 TRP HA 1 6 TRP HE3 3.000 2.200 3.800 3.838 3.768 3.884 0.084 10 0 "[ . 1 . ]" 1
63 1 6 TRP HA 1 7 PRO HD2 2.200 . 2.700 2.444 2.204 2.715 0.015 6 0 "[ . 1 . ]" 1
64 1 6 TRP HA 1 7 PRO HD3 2.200 . 2.700 2.006 1.816 2.163 . 0 0 "[ . 1 . ]" 1
65 1 6 TRP HB2 1 6 TRP HD1 2.900 2.100 3.700 3.126 2.645 3.833 0.133 11 0 "[ . 1 . ]" 1
66 1 6 TRP HB2 1 6 TRP HE3 2.800 . 3.800 3.410 2.431 4.040 0.240 4 0 "[ . 1 . ]" 1
67 1 6 TRP HB3 1 6 TRP HD1 2.900 2.100 3.700 3.446 2.815 3.836 0.136 10 0 "[ . 1 . ]" 1
68 1 6 TRP HB3 1 6 TRP HE3 2.800 . 3.800 2.999 2.431 3.906 0.106 6 0 "[ . 1 . ]" 1
69 1 6 TRP HD1 1 7 PRO HD2 3.500 2.100 5.000 3.967 2.829 5.009 0.009 3 0 "[ . 1 . ]" 1
70 1 6 TRP HD1 1 7 PRO HD3 3.500 2.100 5.000 4.613 3.892 5.032 0.032 4 0 "[ . 1 . ]" 1
71 1 6 TRP HE3 1 7 PRO HD2 3.400 2.300 4.500 3.130 2.283 4.240 0.017 5 0 "[ . 1 . ]" 1
72 1 6 TRP HE3 1 7 PRO HD3 3.400 2.300 4.500 4.359 4.031 4.598 0.098 12 0 "[ . 1 . ]" 1
73 1 7 PRO HA 1 7 PRO HB3 2.500 . 3.000 2.312 2.308 2.318 . 0 0 "[ . 1 . ]" 1
74 1 7 PRO HA 1 7 PRO HG3 3.100 2.100 4.100 3.971 3.919 4.005 . 0 0 "[ . 1 . ]" 1
75 1 7 PRO HA 1 8 TRP H 2.800 2.200 3.400 2.273 2.218 2.494 . 0 0 "[ . 1 . ]" 1
76 1 7 PRO HB2 1 8 TRP H 4.200 3.400 5.000 3.810 3.390 4.305 0.010 3 0 "[ . 1 . ]" 1
77 1 7 PRO HB3 1 8 TRP H 4.200 3.400 5.000 4.244 3.953 4.616 . 0 0 "[ . 1 . ]" 1
78 1 7 PRO HD2 1 7 PRO HG2 2.500 . 3.100 2.267 2.249 2.285 . 0 0 "[ . 1 . ]" 1
79 1 7 PRO HD2 1 7 PRO HG3 2.500 . 3.100 2.793 2.735 2.874 . 0 0 "[ . 1 . ]" 1
80 1 7 PRO HD2 1 8 TRP H 5.100 3.500 6.700 5.201 4.654 5.515 . 0 0 "[ . 1 . ]" 1
81 1 7 PRO HD3 1 7 PRO HG3 2.500 . 3.100 2.269 2.254 2.288 . 0 0 "[ . 1 . ]" 1
82 1 8 TRP H 1 8 TRP HA 2.700 2.200 3.100 2.896 2.849 3.001 . 0 0 "[ . 1 . ]" 1
83 1 8 TRP H 1 8 TRP HB2 2.900 2.200 3.600 3.214 2.976 3.534 . 0 0 "[ . 1 . ]" 1
84 1 8 TRP H 1 8 TRP HB3 2.900 2.200 3.600 3.172 2.522 3.617 0.017 7 0 "[ . 1 . ]" 1
85 1 8 TRP H 1 8 TRP HD1 4.200 3.400 5.000 4.737 4.335 4.959 . 0 0 "[ . 1 . ]" 1
86 1 8 TRP H 1 9 TRP H 2.900 2.300 3.500 3.243 2.293 3.540 0.040 14 0 "[ . 1 . ]" 1
87 1 8 TRP HA 1 8 TRP HB2 2.500 . 3.100 2.625 2.443 2.850 . 0 0 "[ . 1 . ]" 1
88 1 8 TRP HA 1 8 TRP HB3 2.500 . 3.100 2.979 2.876 3.027 . 0 0 "[ . 1 . ]" 1
89 1 8 TRP HA 1 8 TRP HD1 2.800 2.200 3.400 2.125 2.024 2.195 0.176 6 0 "[ . 1 . ]" 1
90 1 8 TRP HA 1 8 TRP HE3 4.200 3.400 5.000 5.016 4.835 5.144 0.144 2 0 "[ . 1 . ]" 1
91 1 8 TRP HA 1 9 TRP H 2.300 . 2.800 2.437 2.245 2.873 0.073 1 0 "[ . 1 . ]" 1
92 1 8 TRP HB2 1 8 TRP HD1 3.300 2.500 4.100 3.256 3.203 3.309 . 0 0 "[ . 1 . ]" 1
93 1 8 TRP HB2 1 8 TRP HE3 2.600 . 3.200 3.410 3.339 3.461 0.261 12 0 "[ . 1 . ]" 1
94 1 8 TRP HB3 1 8 TRP HD1 3.300 2.500 4.100 3.858 3.819 3.878 . 0 0 "[ . 1 . ]" 1
95 1 8 TRP HB3 1 8 TRP HE3 2.600 . 3.200 2.433 2.377 2.499 . 0 0 "[ . 1 . ]" 1
96 1 8 TRP HB3 1 9 TRP H 3.100 . 4.500 4.258 4.086 4.474 . 0 0 "[ . 1 . ]" 1
97 1 8 TRP HE3 1 10 PRO QD 4.000 2.500 5.500 4.050 3.612 4.374 . 0 0 "[ . 1 . ]" 1
98 1 9 TRP H 1 9 TRP HA 2.400 . 2.900 2.929 2.750 2.988 0.088 16 0 "[ . 1 . ]" 1
99 1 9 TRP H 1 9 TRP HB2 2.500 . 3.300 2.373 1.951 2.804 . 0 0 "[ . 1 . ]" 1
100 1 9 TRP H 1 9 TRP HB3 2.500 . 3.300 2.960 2.412 3.478 0.178 15 0 "[ . 1 . ]" 1
101 1 9 TRP HA 1 9 TRP HB2 2.400 . 3.100 2.739 2.480 3.019 . 0 0 "[ . 1 . ]" 1
102 1 9 TRP HA 1 9 TRP HB3 2.400 . 3.100 2.896 2.540 3.026 . 0 0 "[ . 1 . ]" 1
103 1 9 TRP HA 1 9 TRP HE3 2.500 . 3.000 1.918 1.821 2.568 0.079 14 0 "[ . 1 . ]" 1
104 1 9 TRP HA 1 10 PRO QD 2.300 . 2.800 1.999 1.886 2.156 . 0 0 "[ . 1 . ]" 1
105 1 9 TRP HB2 1 9 TRP HD1 3.100 2.500 3.700 3.050 2.567 3.481 . 0 0 "[ . 1 . ]" 1
106 1 9 TRP HB2 1 9 TRP HE3 3.000 2.100 3.800 3.669 3.102 4.106 0.306 11 0 "[ . 1 . ]" 1
107 1 9 TRP HB3 1 9 TRP HD1 3.100 2.500 3.700 2.869 2.578 3.517 . 0 0 "[ . 1 . ]" 1
108 1 9 TRP HB3 1 9 TRP HE3 3.000 2.100 3.800 3.862 3.037 4.108 0.308 13 0 "[ . 1 . ]" 1
109 1 9 TRP HD1 1 10 PRO QD 3.900 2.300 5.500 5.744 5.237 6.188 0.688 7 6 "[ -*.*+* 1 *. ]" 1
110 1 9 TRP HE3 1 10 PRO QD 3.000 2.200 3.800 2.547 2.109 3.021 0.091 6 0 "[ . 1 . ]" 1
111 1 10 PRO HA 1 10 PRO HB2 2.400 . 2.900 2.739 2.732 2.743 . 0 0 "[ . 1 . ]" 1
112 1 10 PRO HA 1 10 PRO HB3 2.400 . 2.900 2.314 2.310 2.320 . 0 0 "[ . 1 . ]" 1
113 1 10 PRO HA 1 11 TRP H 2.800 2.300 3.400 2.434 2.223 2.846 0.077 6 0 "[ . 1 . ]" 1
114 1 10 PRO QD 1 10 PRO HG3 2.500 . 3.100 2.177 2.172 2.182 . 0 0 "[ . 1 . ]" 1
115 1 10 PRO QD 1 11 TRP H 4.000 2.500 5.500 4.574 4.138 4.992 . 0 0 "[ . 1 . ]" 1
116 1 11 TRP H 1 11 TRP HA 2.700 2.200 3.100 2.708 2.655 2.955 . 0 0 "[ . 1 . ]" 1
117 1 11 TRP H 1 11 TRP HB2 3.000 2.300 3.700 3.234 2.116 3.510 0.184 14 0 "[ . 1 . ]" 1
118 1 11 TRP H 1 11 TRP HB3 3.000 2.300 3.700 3.133 2.911 3.187 . 0 0 "[ . 1 . ]" 1
119 1 11 TRP H 1 11 TRP HE3 3.100 2.500 3.700 3.771 3.723 3.803 0.103 12 0 "[ . 1 . ]" 1
120 1 11 TRP H 1 12 ARG H 2.800 2.300 3.300 3.241 2.640 3.405 0.105 9 0 "[ . 1 . ]" 1
121 1 11 TRP HA 1 11 TRP HB2 2.300 . 2.900 2.794 2.633 2.828 . 0 0 "[ . 1 . ]" 1
122 1 11 TRP HA 1 11 TRP HB3 2.300 . 2.900 2.364 2.221 2.985 0.085 4 0 "[ . 1 . ]" 1
123 1 11 TRP HA 1 11 TRP HD1 3.100 2.200 4.000 4.086 3.302 4.269 0.269 10 0 "[ . 1 . ]" 1
124 1 11 TRP HA 1 11 TRP HE3 3.100 2.500 3.700 3.845 3.748 3.925 0.225 9 0 "[ . 1 . ]" 1
125 1 11 TRP HA 1 12 ARG H 2.600 . 3.400 3.527 3.486 3.554 0.154 15 0 "[ . 1 . ]" 1
126 1 11 TRP HB2 1 11 TRP HD1 3.200 2.400 4.000 3.041 2.836 3.885 . 0 0 "[ . 1 . ]" 1
127 1 11 TRP HB2 1 11 TRP HE3 2.700 . 3.600 3.522 2.304 3.815 0.215 10 0 "[ . 1 . ]" 1
128 1 11 TRP HB2 1 12 ARG H 2.900 2.100 3.700 2.527 2.054 3.681 0.046 9 0 "[ . 1 . ]" 1
129 1 11 TRP HB3 1 11 TRP HD1 3.200 2.400 4.000 3.666 2.793 3.878 . 0 0 "[ . 1 . ]" 1
130 1 11 TRP HB3 1 11 TRP HE3 2.700 . 3.600 2.593 2.279 3.876 0.276 15 0 "[ . 1 . ]" 1
131 1 11 TRP HB3 1 12 ARG H 2.900 2.100 3.700 3.484 2.063 3.750 0.050 12 0 "[ . 1 . ]" 1
132 1 11 TRP HD1 1 12 ARG QG 3.600 2.500 4.700 3.781 2.137 4.355 0.363 3 0 "[ . 1 . ]" 1
133 1 12 ARG H 1 12 ARG HA 2.500 . 3.000 2.837 2.691 2.998 . 0 0 "[ . 1 . ]" 1
134 1 12 ARG H 1 12 ARG HB2 2.700 2.100 3.300 2.746 1.990 3.616 0.316 15 0 "[ . 1 . ]" 1
135 1 12 ARG H 1 12 ARG HB3 2.700 2.100 3.300 2.784 2.061 3.324 0.039 9 0 "[ . 1 . ]" 1
136 1 12 ARG H 1 12 ARG QG 3.200 2.100 4.300 3.101 1.746 3.855 0.354 15 0 "[ . 1 . ]" 1
137 1 12 ARG HA 1 12 ARG HB2 2.300 . 2.800 2.611 2.298 2.842 0.042 14 0 "[ . 1 . ]" 1
138 1 12 ARG HA 1 12 ARG HB3 2.300 . 2.800 2.735 2.394 2.976 0.176 9 0 "[ . 1 . ]" 1
139 1 12 ARG HA 1 12 ARG HE 3.900 3.000 4.800 3.500 2.992 4.184 0.008 12 0 "[ . 1 . ]" 1
140 1 12 ARG HA 1 13 ARG H 2.200 . 2.700 2.348 2.197 2.792 0.092 14 0 "[ . 1 . ]" 1
141 1 12 ARG HB2 1 12 ARG HE 3.300 2.600 4.000 3.754 2.660 4.123 0.123 2 0 "[ . 1 . ]" 1
142 1 12 ARG HB3 1 12 ARG HE 3.300 2.600 4.000 3.239 2.553 4.065 0.065 15 0 "[ . 1 . ]" 1
143 1 12 ARG HE 1 12 ARG QG 2.800 . 3.600 2.619 1.949 3.306 0.051 2 0 "[ . 1 . ]" 1
144 1 12 ARG HE 1 13 ARG HA 3.100 2.500 3.700 3.654 3.291 3.822 0.122 14 0 "[ . 1 . ]" 1
145 1 13 ARG H 1 13 ARG HA 2.500 . 3.000 2.943 2.697 2.988 . 0 0 "[ . 1 . ]" 1
146 1 13 ARG H 1 13 ARG HB2 2.400 . 3.100 2.556 1.977 3.121 0.021 11 0 "[ . 1 . ]" 1
147 1 13 ARG H 1 13 ARG HB3 2.400 . 3.100 2.622 2.081 3.143 0.043 4 0 "[ . 1 . ]" 1
148 1 13 ARG H 1 13 ARG QG 3.000 . 4.000 3.643 3.482 3.724 . 0 0 "[ . 1 . ]" 1
149 1 13 ARG HA 1 13 ARG HB2 2.700 2.300 3.100 2.575 2.331 2.863 . 0 0 "[ . 1 . ]" 1
150 1 13 ARG HA 1 13 ARG HB3 2.500 . 3.100 2.954 2.859 3.009 . 0 0 "[ . 1 . ]" 1
151 1 13 ARG HB2 1 13 ARG HE 3.300 2.500 4.100 3.313 2.492 4.086 0.008 12 0 "[ . 1 . ]" 1
152 1 13 ARG HB3 1 13 ARG QD 2.800 . 3.700 2.652 1.916 3.327 . 0 0 "[ . 1 . ]" 1
153 1 13 ARG HB3 1 13 ARG HE 3.300 2.500 4.100 3.511 2.573 4.037 . 0 0 "[ . 1 . ]" 1
154 1 13 ARG QD 1 13 ARG QG 2.100 . 2.500 2.061 2.047 2.071 . 0 0 "[ . 1 . ]" 1
155 1 13 ARG HE 1 13 ARG QG 2.800 2.100 3.500 2.318 2.042 2.742 0.058 13 0 "[ . 1 . ]" 1
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