NMR Restraints Grid
| |
NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
538203 |
2lm8   |
18102 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lm8
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 134
_Distance_constraint_stats_list.Viol_count 121
_Distance_constraint_stats_list.Viol_total 151.231
_Distance_constraint_stats_list.Viol_max 0.132
_Distance_constraint_stats_list.Viol_rms 0.0165
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0028
_Distance_constraint_stats_list.Viol_average_violations_only 0.0625
_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 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 TRP 7.554 0.132 9 0 "[ . 1 . 2]"
1 3 PHE 4.891 0.090 4 0 "[ . 1 . 2]"
1 4 ARG 2.618 0.132 9 0 "[ . 1 . 2]"
1 5 VAL 0.004 0.001 20 0 "[ . 1 . 2]"
1 6 TYR 0.004 0.001 20 0 "[ . 1 . 2]"
1 7 ARG 0.002 0.001 13 0 "[ . 1 . 2]"
1 8 GLY 0.003 0.001 13 0 "[ . 1 . 2]"
1 9 ILE 0.000 0.000 13 0 "[ . 1 . 2]"
1 10 TYR 0.001 0.000 13 0 "[ . 1 . 2]"
1 11 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ARG 0.001 0.000 5 0 "[ . 1 . 2]"
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 LYS QB 1 2 TRP H . . 3.630 2.935 2.274 3.246 . 0 0 "[ . 1 . 2]" 1
2 1 1 LYS QB 1 2 TRP HA . . 4.540 4.313 4.081 4.533 . 0 0 "[ . 1 . 2]" 1
3 1 1 LYS HB2 1 2 TRP H . . 4.160 3.497 2.707 4.159 . 0 0 "[ . 1 . 2]" 1
4 1 1 LYS HB3 1 2 TRP H . . 4.160 3.569 2.299 4.159 . 0 0 "[ . 1 . 2]" 1
5 1 2 TRP H 1 2 TRP HB3 . . 3.600 2.582 2.526 2.680 . 0 0 "[ . 1 . 2]" 1
6 1 2 TRP H 1 3 PHE H . . 4.630 4.436 4.419 4.448 . 0 0 "[ . 1 . 2]" 1
7 1 2 TRP H 1 5 VAL MG1 . . 5.500 4.708 4.672 4.747 . 0 0 "[ . 1 . 2]" 1
8 1 2 TRP H 1 11 ARG QD . . 5.330 4.543 4.286 5.003 . 0 0 "[ . 1 . 2]" 1
9 1 2 TRP HA 1 2 TRP HD1 . . 4.400 4.402 4.402 4.403 0.003 8 0 "[ . 1 . 2]" 1
10 1 2 TRP HA 1 2 TRP HE3 . . 4.230 4.084 4.083 4.085 . 0 0 "[ . 1 . 2]" 1
11 1 2 TRP HA 1 3 PHE H . . 3.550 2.597 2.596 2.598 . 0 0 "[ . 1 . 2]" 1
12 1 2 TRP HB2 1 2 TRP HE3 . . 3.980 2.426 2.426 2.427 . 0 0 "[ . 1 . 2]" 1
13 1 2 TRP HB2 1 3 PHE H . . 3.780 2.555 2.554 2.555 . 0 0 "[ . 1 . 2]" 1
14 1 2 TRP HB3 1 2 TRP HD1 . . 2.890 2.835 2.834 2.836 . 0 0 "[ . 1 . 2]" 1
15 1 2 TRP HB3 1 2 TRP HE1 . . 5.070 4.849 4.848 4.850 . 0 0 "[ . 1 . 2]" 1
16 1 2 TRP HB3 1 2 TRP HE3 . . 4.090 3.956 3.956 3.957 . 0 0 "[ . 1 . 2]" 1
17 1 2 TRP HB3 1 3 PHE H . . 3.850 3.777 3.776 3.777 . 0 0 "[ . 1 . 2]" 1
18 1 2 TRP HD1 1 3 PHE HA . . 5.500 5.567 5.567 5.568 0.068 8 0 "[ . 1 . 2]" 1
19 1 2 TRP HD1 1 11 ARG HB3 . . 2.700 2.383 2.322 2.489 . 0 0 "[ . 1 . 2]" 1
20 1 2 TRP HE1 1 3 PHE H . . 5.350 5.175 5.174 5.176 . 0 0 "[ . 1 . 2]" 1
21 1 2 TRP HE1 1 3 PHE HB2 . . 5.500 5.589 5.588 5.590 0.090 4 0 "[ . 1 . 2]" 1
22 1 2 TRP HE1 1 3 PHE HB3 . . 5.500 5.351 5.350 5.352 . 0 0 "[ . 1 . 2]" 1
23 1 2 TRP HE1 1 4 ARG H . . 5.470 5.601 5.600 5.602 0.132 9 0 "[ . 1 . 2]" 1
24 1 2 TRP HE1 1 5 VAL HA . . 5.370 1.974 1.951 1.992 . 0 0 "[ . 1 . 2]" 1
25 1 2 TRP HE1 1 5 VAL HB . . 5.500 3.394 3.369 3.429 . 0 0 "[ . 1 . 2]" 1
26 1 2 TRP HE1 1 5 VAL MG1 . . 4.320 1.898 1.891 1.911 . 0 0 "[ . 1 . 2]" 1
27 1 2 TRP HE1 1 6 TYR H . . 5.240 4.036 3.843 4.220 . 0 0 "[ . 1 . 2]" 1
28 1 2 TRP HE1 1 9 ILE MG . . 4.790 4.098 3.964 4.266 . 0 0 "[ . 1 . 2]" 1
29 1 2 TRP HE1 1 11 ARG HA . . 5.500 5.239 5.123 5.371 . 0 0 "[ . 1 . 2]" 1
30 1 2 TRP HE1 1 11 ARG HB2 . . 5.040 2.765 2.681 2.850 . 0 0 "[ . 1 . 2]" 1
31 1 2 TRP HE1 1 11 ARG HB3 . . 4.150 2.872 2.766 2.986 . 0 0 "[ . 1 . 2]" 1
32 1 2 TRP HE1 1 11 ARG QD . . 4.470 3.267 3.075 3.407 . 0 0 "[ . 1 . 2]" 1
33 1 2 TRP HE1 1 11 ARG QG . . 4.360 4.315 4.222 4.354 . 0 0 "[ . 1 . 2]" 1
34 1 2 TRP HE1 1 12 ARG H . . 5.500 4.226 4.038 4.372 . 0 0 "[ . 1 . 2]" 1
35 1 2 TRP HE1 1 13 ARG HA . . 5.500 4.433 4.228 4.608 . 0 0 "[ . 1 . 2]" 1
36 1 2 TRP HE3 1 3 PHE HA . . 5.330 5.040 5.039 5.041 . 0 0 "[ . 1 . 2]" 1
37 1 2 TRP HE3 1 3 PHE HB2 . . 4.950 2.846 2.845 2.847 . 0 0 "[ . 1 . 2]" 1
38 1 2 TRP HE3 1 11 ARG QD . . 4.590 4.250 3.975 4.474 . 0 0 "[ . 1 . 2]" 1
39 1 2 TRP HZ2 1 3 PHE HB3 . . 4.390 4.478 4.477 4.479 0.089 16 0 "[ . 1 . 2]" 1
40 1 2 TRP HZ2 1 5 VAL MG1 . . 4.500 4.071 4.058 4.103 . 0 0 "[ . 1 . 2]" 1
41 1 2 TRP HZ2 1 9 ILE QG . . 5.200 5.176 5.018 5.199 . 0 0 "[ . 1 . 2]" 1
42 1 2 TRP HZ2 1 9 ILE MG . . 4.590 3.457 3.259 3.599 . 0 0 "[ . 1 . 2]" 1
43 1 2 TRP HZ2 1 11 ARG QD . . 4.310 4.103 3.705 4.308 . 0 0 "[ . 1 . 2]" 1
44 1 3 PHE H 1 3 PHE HB2 . . 3.900 2.091 2.090 2.091 . 0 0 "[ . 1 . 2]" 1
45 1 3 PHE H 1 4 ARG H . . 4.800 4.583 4.582 4.584 . 0 0 "[ . 1 . 2]" 1
46 1 3 PHE H 1 13 ARG HA . . 5.240 5.176 5.129 5.224 . 0 0 "[ . 1 . 2]" 1
47 1 3 PHE HA 1 3 PHE HD1 . . 4.250 2.408 2.401 2.415 . 0 0 "[ . 1 . 2]" 1
48 1 3 PHE HA 1 3 PHE HE1 . . 4.520 4.383 4.379 4.387 . 0 0 "[ . 1 . 2]" 1
49 1 3 PHE HA 1 4 ARG H . . 3.310 2.595 2.594 2.596 . 0 0 "[ . 1 . 2]" 1
50 1 3 PHE HB2 1 4 ARG H . . 4.070 3.710 3.710 3.711 . 0 0 "[ . 1 . 2]" 1
51 1 3 PHE HB3 1 3 PHE HD1 . . 3.230 2.774 2.770 2.777 . 0 0 "[ . 1 . 2]" 1
52 1 3 PHE HB3 1 4 ARG H . . 3.380 2.246 2.245 2.246 . 0 0 "[ . 1 . 2]" 1
53 1 3 PHE HD1 1 4 ARG HA . . 4.600 4.597 4.596 4.600 . 0 0 "[ . 1 . 2]" 1
54 1 4 ARG H 1 4 ARG QB . . 3.080 2.362 2.130 2.618 . 0 0 "[ . 1 . 2]" 1
55 1 4 ARG H 1 4 ARG QD . . 4.260 3.918 1.970 4.260 . 0 0 "[ . 1 . 2]" 1
56 1 4 ARG H 1 4 ARG QG . . 4.330 2.829 2.044 4.004 . 0 0 "[ . 1 . 2]" 1
57 1 4 ARG H 1 13 ARG HA . . 5.160 5.137 4.992 5.160 0.000 5 0 "[ . 1 . 2]" 1
58 1 4 ARG H 1 13 ARG QD . . 4.640 4.571 4.237 4.640 0.000 18 0 "[ . 1 . 2]" 1
59 1 4 ARG HA 1 5 VAL H . . 3.250 2.153 2.150 2.155 . 0 0 "[ . 1 . 2]" 1
60 1 4 ARG QB 1 5 VAL H . . 4.150 3.333 3.157 3.760 . 0 0 "[ . 1 . 2]" 1
61 1 4 ARG QD 1 5 VAL H . . 5.060 4.718 3.142 5.059 . 0 0 "[ . 1 . 2]" 1
62 1 4 ARG QG 1 5 VAL H . . 4.510 3.756 2.606 4.351 . 0 0 "[ . 1 . 2]" 1
63 1 5 VAL H 1 5 VAL HB . . 3.750 3.620 3.618 3.622 . 0 0 "[ . 1 . 2]" 1
64 1 5 VAL H 1 5 VAL MG1 . . 3.860 2.036 2.014 2.047 . 0 0 "[ . 1 . 2]" 1
65 1 5 VAL H 1 6 TYR H . . 4.750 4.597 4.554 4.629 . 0 0 "[ . 1 . 2]" 1
66 1 5 VAL H 1 6 TYR HA . . 5.460 5.456 5.441 5.461 0.001 20 0 "[ . 1 . 2]" 1
67 1 5 VAL H 1 13 ARG QD . . 4.430 3.229 2.804 3.858 . 0 0 "[ . 1 . 2]" 1
68 1 5 VAL HA 1 6 TYR H . . 3.150 2.381 2.186 2.587 . 0 0 "[ . 1 . 2]" 1
69 1 5 VAL HB 1 6 TYR H . . 4.050 2.514 2.063 3.051 . 0 0 "[ . 1 . 2]" 1
70 1 5 VAL HB 1 12 ARG H . . 5.500 5.431 5.326 5.493 . 0 0 "[ . 1 . 2]" 1
71 1 5 VAL MG1 1 6 TYR H . . 4.460 3.782 3.625 3.969 . 0 0 "[ . 1 . 2]" 1
72 1 5 VAL MG1 1 11 ARG H . . 4.130 3.323 3.238 3.531 . 0 0 "[ . 1 . 2]" 1
73 1 5 VAL MG1 1 11 ARG HA . . 4.860 3.901 3.818 4.018 . 0 0 "[ . 1 . 2]" 1
74 1 5 VAL MG1 1 12 ARG H . . 3.550 3.053 2.968 3.120 . 0 0 "[ . 1 . 2]" 1
75 1 5 VAL MG1 1 13 ARG H . . 4.250 2.514 2.258 2.876 . 0 0 "[ . 1 . 2]" 1
76 1 5 VAL MG1 1 13 ARG HA . . 5.210 3.201 3.025 3.333 . 0 0 "[ . 1 . 2]" 1
77 1 6 TYR H 1 6 TYR HB2 . . 3.240 2.901 2.447 3.225 . 0 0 "[ . 1 . 2]" 1
78 1 6 TYR H 1 7 ARG HA . . 5.330 4.980 4.793 5.213 . 0 0 "[ . 1 . 2]" 1
79 1 6 TYR H 1 7 ARG QD . . 5.500 5.192 4.971 5.462 . 0 0 "[ . 1 . 2]" 1
80 1 6 TYR H 1 8 GLY H . . 5.500 5.320 5.159 5.500 . 0 0 "[ . 1 . 2]" 1
81 1 6 TYR H 1 9 ILE H . . 4.480 4.202 4.045 4.363 . 0 0 "[ . 1 . 2]" 1
82 1 6 TYR H 1 9 ILE MG . . 4.570 2.762 2.623 2.912 . 0 0 "[ . 1 . 2]" 1
83 1 6 TYR HA 1 7 ARG H . . 3.130 2.382 2.309 2.481 . 0 0 "[ . 1 . 2]" 1
84 1 6 TYR HB2 1 7 ARG H . . 4.110 3.958 3.736 4.110 0.000 13 0 "[ . 1 . 2]" 1
85 1 6 TYR HB3 1 7 ARG H . . 3.470 3.131 2.332 3.463 . 0 0 "[ . 1 . 2]" 1
86 1 6 TYR HB3 1 8 GLY H . . 5.310 5.200 5.073 5.298 . 0 0 "[ . 1 . 2]" 1
87 1 7 ARG H 1 7 ARG HB2 . . 3.240 2.403 2.308 2.661 . 0 0 "[ . 1 . 2]" 1
88 1 7 ARG H 1 7 ARG QD . . 3.640 2.305 1.929 3.373 . 0 0 "[ . 1 . 2]" 1
89 1 7 ARG H 1 7 ARG QG . . 3.360 2.979 1.958 3.341 . 0 0 "[ . 1 . 2]" 1
90 1 7 ARG H 1 8 GLY H . . 4.550 4.397 4.376 4.424 . 0 0 "[ . 1 . 2]" 1
91 1 7 ARG H 1 9 ILE MG . . 5.390 4.968 4.908 5.013 . 0 0 "[ . 1 . 2]" 1
92 1 7 ARG HA 1 7 ARG QD . . 3.160 2.816 2.119 3.046 . 0 0 "[ . 1 . 2]" 1
93 1 7 ARG HA 1 8 GLY H . . 3.450 2.153 2.148 2.155 . 0 0 "[ . 1 . 2]" 1
94 1 7 ARG HA 1 9 ILE H . . 4.520 3.685 3.630 3.727 . 0 0 "[ . 1 . 2]" 1
95 1 7 ARG HB2 1 8 GLY H . . 4.460 4.420 4.274 4.461 0.001 13 0 "[ . 1 . 2]" 1
96 1 7 ARG HB3 1 8 GLY H . . 3.830 3.667 3.623 3.680 . 0 0 "[ . 1 . 2]" 1
97 1 7 ARG QD 1 8 GLY H . . 4.920 4.689 3.867 4.921 0.001 13 0 "[ . 1 . 2]" 1
98 1 8 GLY H 1 9 ILE H . . 3.730 2.171 2.130 2.239 . 0 0 "[ . 1 . 2]" 1
99 1 8 GLY H 1 9 ILE HA . . 5.300 4.455 4.439 4.476 . 0 0 "[ . 1 . 2]" 1
100 1 8 GLY H 1 9 ILE MG . . 5.430 3.910 3.879 3.958 . 0 0 "[ . 1 . 2]" 1
101 1 8 GLY H 1 10 TYR H . . 5.500 5.497 5.487 5.500 0.000 13 0 "[ . 1 . 2]" 1
102 1 8 GLY H 1 10 TYR HA . . 5.500 5.483 5.463 5.499 . 0 0 "[ . 1 . 2]" 1
103 1 8 GLY QA 1 9 ILE H . . 2.920 2.851 2.834 2.863 . 0 0 "[ . 1 . 2]" 1
104 1 9 ILE H 1 9 ILE HB . . 3.300 3.244 3.217 3.271 . 0 0 "[ . 1 . 2]" 1
105 1 9 ILE H 1 9 ILE MG . . 3.720 2.049 2.017 2.081 . 0 0 "[ . 1 . 2]" 1
106 1 9 ILE H 1 10 TYR H . . 4.280 4.263 4.244 4.280 0.000 13 0 "[ . 1 . 2]" 1
107 1 9 ILE HA 1 10 TYR H . . 2.740 2.150 2.149 2.152 . 0 0 "[ . 1 . 2]" 1
108 1 9 ILE HA 1 10 TYR QD . . 4.210 3.609 3.233 4.047 . 0 0 "[ . 1 . 2]" 1
109 1 9 ILE HB 1 10 TYR H . . 4.250 4.199 4.196 4.201 . 0 0 "[ . 1 . 2]" 1
110 1 9 ILE MG 1 10 TYR H . . 4.790 4.009 4.002 4.015 . 0 0 "[ . 1 . 2]" 1
111 1 9 ILE MG 1 11 ARG H . . 4.670 4.152 4.141 4.171 . 0 0 "[ . 1 . 2]" 1
112 1 10 TYR H 1 10 TYR QB . . 3.460 2.306 2.169 2.525 . 0 0 "[ . 1 . 2]" 1
113 1 10 TYR H 1 11 ARG H . . 4.610 4.372 4.367 4.380 . 0 0 "[ . 1 . 2]" 1
114 1 10 TYR HA 1 11 ARG H . . 3.250 2.148 2.146 2.150 . 0 0 "[ . 1 . 2]" 1
115 1 10 TYR QB 1 11 ARG H . . 3.730 3.519 3.480 3.568 . 0 0 "[ . 1 . 2]" 1
116 1 11 ARG H 1 11 ARG HB2 . . 3.490 2.847 2.825 2.856 . 0 0 "[ . 1 . 2]" 1
117 1 11 ARG H 1 11 ARG HB3 . . 4.000 3.846 3.828 3.859 . 0 0 "[ . 1 . 2]" 1
118 1 11 ARG H 1 11 ARG QG . . 3.620 3.560 3.491 3.618 . 0 0 "[ . 1 . 2]" 1
119 1 11 ARG H 1 12 ARG H . . 4.590 4.374 4.371 4.380 . 0 0 "[ . 1 . 2]" 1
120 1 11 ARG HA 1 11 ARG HB3 . . 2.700 2.598 2.579 2.621 . 0 0 "[ . 1 . 2]" 1
121 1 11 ARG HA 1 11 ARG QG . . 3.610 2.213 2.176 2.289 . 0 0 "[ . 1 . 2]" 1
122 1 11 ARG HA 1 11 ARG HH11 . . 3.620 3.334 3.037 3.613 . 0 0 "[ . 1 . 2]" 1
123 1 11 ARG HB3 1 11 ARG HH11 . . 2.700 2.668 2.595 2.699 . 0 0 "[ . 1 . 2]" 1
124 1 11 ARG HB3 1 12 ARG H . . 2.400 2.047 2.035 2.095 . 0 0 "[ . 1 . 2]" 1
125 1 11 ARG QG 1 11 ARG HH11 . . 2.910 2.212 2.069 2.440 . 0 0 "[ . 1 . 2]" 1
126 1 12 ARG H 1 12 ARG QB . . 3.160 2.624 2.532 2.687 . 0 0 "[ . 1 . 2]" 1
127 1 12 ARG HA 1 13 ARG H . . 3.250 2.175 2.142 2.235 . 0 0 "[ . 1 . 2]" 1
128 1 12 ARG QG 1 13 ARG H . . 2.790 2.594 2.236 2.782 . 0 0 "[ . 1 . 2]" 1
129 1 13 ARG H 1 13 ARG HB2 . . 3.790 3.055 2.198 3.685 . 0 0 "[ . 1 . 2]" 1
130 1 13 ARG H 1 13 ARG QB . . 3.090 2.488 2.176 2.669 . 0 0 "[ . 1 . 2]" 1
131 1 13 ARG H 1 13 ARG HB3 . . 3.790 3.087 2.552 3.589 . 0 0 "[ . 1 . 2]" 1
132 1 13 ARG H 1 13 ARG QD . . 4.540 4.079 3.852 4.353 . 0 0 "[ . 1 . 2]" 1
133 1 13 ARG H 1 13 ARG QG . . 3.210 2.283 2.072 2.799 . 0 0 "[ . 1 . 2]" 1
134 1 13 ARG HA 1 13 ARG QB . . 2.560 2.286 2.176 2.492 . 0 0 "[ . 1 . 2]" 1
stop_
save_
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