NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
566733 |
2md1   |
19468 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2md1
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 139
_Distance_constraint_stats_list.Viol_count 499
_Distance_constraint_stats_list.Viol_total 909.432
_Distance_constraint_stats_list.Viol_max 0.454
_Distance_constraint_stats_list.Viol_rms 0.1129
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0654
_Distance_constraint_stats_list.Viol_average_violations_only 0.1823
_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 TRP 28.172 0.409 8 0 "[ . 1]"
1 2 LYS 7.052 0.305 10 0 "[ . 1]"
1 3 LEU 30.188 0.409 8 0 "[ . 1]"
1 4 LEU 22.682 0.360 8 0 "[ . 1]"
1 5 SER 23.204 0.404 5 0 "[ . 1]"
1 6 LYS 20.230 0.454 9 0 "[ . 1]"
1 7 ALA 11.809 0.258 3 0 "[ . 1]"
1 8 GLN 17.941 0.454 9 0 "[ . 1]"
1 9 GLU 8.501 0.258 3 0 "[ . 1]"
1 10 LYS 1.771 0.160 5 0 "[ . 1]"
1 11 PHE 3.035 0.166 3 0 "[ . 1]"
1 12 GLY 0.010 0.006 3 0 "[ . 1]"
1 13 LYS 2.492 0.220 10 0 "[ . 1]"
1 14 ASN 2.388 0.220 10 0 "[ . 1]"
1 15 LYS 0.074 0.016 7 0 "[ . 1]"
1 16 SER 0.000 0.000 . 0 "[ . 1]"
1 17 ARG 0.000 0.000 . 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 TRP H1 1 1 TRP QB . . 3.500 2.897 2.404 3.206 . 0 0 "[ . 1]" 1
2 1 1 TRP HA 1 2 LYS H . . 3.500 2.155 2.154 2.157 . 0 0 "[ . 1]" 1
3 1 1 TRP HA 1 3 LEU H . . 4.400 3.493 3.489 3.506 . 0 0 "[ . 1]" 1
4 1 1 TRP HA 1 4 LEU H . . 4.200 4.266 4.261 4.278 0.078 10 0 "[ . 1]" 1
5 1 1 TRP HA 1 5 SER H . . 4.600 4.978 4.976 4.983 0.383 10 0 "[ . 1]" 1
6 1 1 TRP QB 1 2 LYS H . . 3.700 3.890 3.887 3.897 0.197 10 0 "[ . 1]" 1
7 1 1 TRP HD1 1 3 LEU QB . . 3.800 4.169 4.163 4.171 0.371 4 0 "[ . 1]" 1
8 1 1 TRP HD1 1 3 LEU QD . . 4.700 4.804 4.796 4.810 0.110 8 0 "[ . 1]" 1
9 1 1 TRP HE1 1 3 LEU H . . 4.200 4.474 4.469 4.477 0.277 9 0 "[ . 1]" 1
10 1 1 TRP HE1 1 3 LEU QB . . 4.000 3.536 3.527 3.540 . 0 0 "[ . 1]" 1
11 1 1 TRP HE1 1 3 LEU QD . . 4.200 3.728 3.719 3.744 . 0 0 "[ . 1]" 1
12 1 1 TRP HE1 1 4 LEU QD . . 5.000 5.357 5.354 5.360 0.360 8 0 "[ . 1]" 1
13 1 1 TRP HE3 1 3 LEU HA . . 4.700 5.078 5.074 5.089 0.389 10 0 "[ . 1]" 1
14 1 1 TRP HE3 1 3 LEU QB . . 4.400 2.835 2.831 2.838 . 0 0 "[ . 1]" 1
15 1 1 TRP HE3 1 3 LEU QD . . 4.400 4.482 4.477 4.486 0.086 4 0 "[ . 1]" 1
16 1 1 TRP HE3 1 4 LEU HA . . 4.400 3.284 3.281 3.291 . 0 0 "[ . 1]" 1
17 1 1 TRP HE3 1 4 LEU QB . . 4.400 1.928 1.926 1.932 . 0 0 "[ . 1]" 1
18 1 1 TRP HE3 1 4 LEU QD . . 4.200 1.744 1.743 1.746 . 0 0 "[ . 1]" 1
19 1 1 TRP HH2 1 3 LEU QD . . 4.200 3.549 3.536 3.558 . 0 0 "[ . 1]" 1
20 1 1 TRP HH2 1 4 LEU QD . . 4.000 3.731 3.726 3.734 . 0 0 "[ . 1]" 1
21 1 1 TRP HZ2 1 3 LEU QB . . 4.000 3.210 3.205 3.212 . 0 0 "[ . 1]" 1
22 1 1 TRP HZ2 1 3 LEU QD . . 4.000 3.415 3.407 3.436 . 0 0 "[ . 1]" 1
23 1 1 TRP HZ2 1 4 LEU QD . . 4.600 4.817 4.815 4.820 0.220 10 0 "[ . 1]" 1
24 1 1 TRP HZ3 1 3 LEU HA . . 4.900 5.303 5.299 5.309 0.409 8 0 "[ . 1]" 1
25 1 1 TRP HZ3 1 3 LEU QB . . 4.200 2.581 2.579 2.585 . 0 0 "[ . 1]" 1
26 1 1 TRP HZ3 1 3 LEU QD . . 4.200 3.886 3.872 3.893 . 0 0 "[ . 1]" 1
27 1 1 TRP HZ3 1 4 LEU QB . . 4.200 4.045 4.043 4.047 . 0 0 "[ . 1]" 1
28 1 1 TRP HZ3 1 4 LEU QD . . 4.300 1.862 1.859 1.865 . 0 0 "[ . 1]" 1
29 1 2 LYS H 1 2 LYS QB . . 3.800 2.548 2.478 2.626 . 0 0 "[ . 1]" 1
30 1 2 LYS H 1 2 LYS QD . . 4.000 2.813 1.947 3.998 . 0 0 "[ . 1]" 1
31 1 2 LYS H 1 2 LYS QG . . 3.800 2.327 2.092 2.549 . 0 0 "[ . 1]" 1
32 1 2 LYS H 1 3 LEU H . . 2.800 2.762 2.758 2.776 . 0 0 "[ . 1]" 1
33 1 2 LYS HA 1 3 LEU H . . 3.300 3.457 3.455 3.466 0.166 10 0 "[ . 1]" 1
34 1 2 LYS HA 1 4 LEU H . . 4.400 4.399 4.386 4.432 0.032 10 0 "[ . 1]" 1
35 1 2 LYS HA 1 5 SER H . . 3.300 3.383 3.380 3.388 0.088 10 0 "[ . 1]" 1
36 1 2 LYS HA 1 6 LYS H . . 3.800 4.071 4.057 4.105 0.305 10 0 "[ . 1]" 1
37 1 2 LYS QB 1 3 LEU H . . 3.600 3.579 3.548 3.601 0.001 6 0 "[ . 1]" 1
38 1 2 LYS QD 1 3 LEU H . . 3.900 3.512 2.996 3.896 . 0 0 "[ . 1]" 1
39 1 2 LYS QG 1 3 LEU H . . 3.800 2.212 2.157 2.309 . 0 0 "[ . 1]" 1
40 1 3 LEU H 1 3 LEU QB . . 3.800 2.048 2.042 2.050 . 0 0 "[ . 1]" 1
41 1 3 LEU H 1 3 LEU QD . . 4.000 2.988 2.978 2.999 . 0 0 "[ . 1]" 1
42 1 3 LEU H 1 4 LEU H . . 2.800 2.506 2.495 2.541 . 0 0 "[ . 1]" 1
43 1 3 LEU HA 1 4 LEU H . . 3.200 3.531 3.528 3.537 0.337 10 0 "[ . 1]" 1
44 1 3 LEU HA 1 5 SER H . . 4.400 4.409 4.403 4.418 0.018 8 0 "[ . 1]" 1
45 1 3 LEU HA 1 6 LYS H . . 3.800 3.782 3.778 3.786 . 0 0 "[ . 1]" 1
46 1 3 LEU QB 1 4 LEU H . . 4.000 2.707 2.677 2.719 . 0 0 "[ . 1]" 1
47 1 3 LEU QB 1 5 SER H . . 4.400 4.512 4.503 4.518 0.118 7 0 "[ . 1]" 1
48 1 3 LEU QD 1 4 LEU H . . 4.200 3.938 3.925 3.943 . 0 0 "[ . 1]" 1
49 1 3 LEU QD 1 5 SER H . . 4.600 4.954 4.951 4.959 0.359 8 0 "[ . 1]" 1
50 1 3 LEU QD 1 6 LYS H . . 4.200 4.454 4.445 4.460 0.260 2 0 "[ . 1]" 1
51 1 3 LEU QD 1 7 ALA H . . 4.200 4.392 4.383 4.408 0.208 8 0 "[ . 1]" 1
52 1 4 LEU H 1 4 LEU QB . . 3.300 2.090 2.082 2.093 . 0 0 "[ . 1]" 1
53 1 4 LEU H 1 4 LEU QD . . 3.800 2.893 2.879 2.901 . 0 0 "[ . 1]" 1
54 1 4 LEU H 1 5 SER H . . 2.800 2.335 2.327 2.363 . 0 0 "[ . 1]" 1
55 1 4 LEU HA 1 5 SER H . . 3.300 3.481 3.479 3.485 0.185 10 0 "[ . 1]" 1
56 1 4 LEU HA 1 6 LYS H . . 3.600 3.852 3.830 3.864 0.264 3 0 "[ . 1]" 1
57 1 4 LEU HA 1 7 ALA H . . 3.800 3.178 3.159 3.196 . 0 0 "[ . 1]" 1
58 1 4 LEU QB 1 5 SER H . . 3.300 2.907 2.892 2.911 . 0 0 "[ . 1]" 1
59 1 4 LEU QB 1 6 LYS H . . 4.300 4.515 4.499 4.522 0.222 3 0 "[ . 1]" 1
60 1 4 LEU QD 1 5 SER H . . 4.000 4.055 4.051 4.058 0.058 9 0 "[ . 1]" 1
61 1 4 LEU QD 1 6 LYS H . . 4.600 4.746 4.731 4.753 0.153 3 0 "[ . 1]" 1
62 1 4 LEU QD 1 7 ALA H . . 4.000 4.155 4.131 4.167 0.167 9 0 "[ . 1]" 1
63 1 4 LEU QD 1 8 GLN H . . 4.200 4.488 4.481 4.497 0.297 10 0 "[ . 1]" 1
64 1 5 SER H 1 5 SER QB . . 3.300 2.270 2.265 2.286 . 0 0 "[ . 1]" 1
65 1 5 SER H 1 6 LYS H . . 2.800 2.452 2.443 2.484 . 0 0 "[ . 1]" 1
66 1 5 SER HA 1 6 LYS H . . 3.300 3.415 3.409 3.427 0.127 10 0 "[ . 1]" 1
67 1 5 SER HA 1 7 ALA H . . 4.400 4.228 4.182 4.260 . 0 0 "[ . 1]" 1
68 1 5 SER HA 1 8 GLN H . . 3.300 3.663 3.623 3.704 0.404 5 0 "[ . 1]" 1
69 1 5 SER HA 1 9 GLU H . . 3.500 3.671 3.651 3.702 0.202 8 0 "[ . 1]" 1
70 1 5 SER QB 1 6 LYS H . . 3.300 3.061 3.030 3.078 . 0 0 "[ . 1]" 1
71 1 5 SER QB 1 7 ALA H . . 4.500 4.734 4.722 4.743 0.243 10 0 "[ . 1]" 1
72 1 5 SER QB 1 8 GLN H . . 4.800 5.065 5.019 5.101 0.301 5 0 "[ . 1]" 1
73 1 6 LYS H 1 6 LYS QB . . 3.300 2.629 2.460 2.660 . 0 0 "[ . 1]" 1
74 1 6 LYS H 1 6 LYS QD . . 3.800 3.810 3.431 3.857 0.057 5 0 "[ . 1]" 1
75 1 6 LYS H 1 6 LYS QG . . 4.000 2.252 2.206 2.583 . 0 0 "[ . 1]" 1
76 1 6 LYS H 1 7 ALA H . . 2.800 2.100 2.069 2.146 . 0 0 "[ . 1]" 1
77 1 6 LYS HA 1 7 ALA H . . 3.300 3.431 3.413 3.450 0.150 10 0 "[ . 1]" 1
78 1 6 LYS HA 1 8 GLN H . . 3.600 4.044 4.032 4.054 0.454 9 0 "[ . 1]" 1
79 1 6 LYS HA 1 9 GLU H . . 3.800 3.631 3.614 3.648 . 0 0 "[ . 1]" 1
80 1 6 LYS QB 1 7 ALA H . . 3.500 3.643 3.568 3.677 0.177 8 0 "[ . 1]" 1
81 1 6 LYS QD 1 7 ALA H . . 4.000 3.221 3.090 4.046 0.046 10 0 "[ . 1]" 1
82 1 6 LYS QG 1 7 ALA H . . 3.600 2.371 2.293 2.447 . 0 0 "[ . 1]" 1
83 1 7 ALA H 1 7 ALA MB . . 3.300 2.351 2.340 2.365 . 0 0 "[ . 1]" 1
84 1 7 ALA H 1 8 GLN H . . 2.800 2.155 2.121 2.187 . 0 0 "[ . 1]" 1
85 1 7 ALA HA 1 8 GLN H . . 3.300 3.375 3.368 3.378 0.078 2 0 "[ . 1]" 1
86 1 7 ALA MB 1 8 GLN H . . 3.300 3.093 3.087 3.108 . 0 0 "[ . 1]" 1
87 1 7 ALA MB 1 9 GLU H . . 4.400 4.647 4.629 4.658 0.258 3 0 "[ . 1]" 1
88 1 8 GLN H 1 8 GLN QB . . 3.300 2.453 2.401 2.551 . 0 0 "[ . 1]" 1
89 1 8 GLN H 1 8 GLN QG . . 3.800 3.624 2.642 4.043 0.243 4 0 "[ . 1]" 1
90 1 8 GLN H 1 9 GLU H . . 2.800 1.991 1.954 2.018 . 0 0 "[ . 1]" 1
91 1 8 GLN HA 1 9 GLU H . . 3.300 3.456 3.440 3.463 0.163 3 0 "[ . 1]" 1
92 1 8 GLN HA 1 11 PHE H . . 4.000 3.847 3.751 4.005 0.005 8 0 "[ . 1]" 1
93 1 8 GLN HA 1 11 PHE QD . . 3.800 2.159 1.978 2.462 . 0 0 "[ . 1]" 1
94 1 8 GLN HA 1 11 PHE QE . . 3.800 3.553 2.986 3.806 0.006 1 0 "[ . 1]" 1
95 1 8 GLN QB 1 9 GLU H . . 3.300 2.919 2.892 2.971 . 0 0 "[ . 1]" 1
96 1 8 GLN QG 1 9 GLU H . . 4.000 4.029 3.969 4.101 0.101 8 0 "[ . 1]" 1
97 1 8 GLN QG 1 11 PHE QD . . 4.200 3.451 1.990 3.983 . 0 0 "[ . 1]" 1
98 1 9 GLU H 1 9 GLU QB . . 3.800 2.318 2.186 2.613 . 0 0 "[ . 1]" 1
99 1 9 GLU H 1 9 GLU QG . . 4.100 3.325 1.968 3.920 . 0 0 "[ . 1]" 1
100 1 9 GLU H 1 10 LYS H . . 2.800 2.690 2.676 2.713 . 0 0 "[ . 1]" 1
101 1 9 GLU HA 1 10 LYS H . . 3.400 3.461 3.442 3.479 0.079 6 0 "[ . 1]" 1
102 1 9 GLU HA 1 11 PHE H . . 4.400 3.416 3.356 3.467 . 0 0 "[ . 1]" 1
103 1 9 GLU QB 1 10 LYS H . . 3.800 3.152 2.924 3.599 . 0 0 "[ . 1]" 1
104 1 9 GLU QB 1 11 PHE H . . 4.400 4.547 4.504 4.566 0.166 3 0 "[ . 1]" 1
105 1 9 GLU QG 1 10 LYS H . . 4.100 3.183 2.416 3.586 . 0 0 "[ . 1]" 1
106 1 9 GLU QG 1 11 PHE H . . 4.400 4.437 4.409 4.484 0.084 8 0 "[ . 1]" 1
107 1 10 LYS H 1 10 LYS QB . . 3.300 2.616 2.511 2.743 . 0 0 "[ . 1]" 1
108 1 10 LYS H 1 10 LYS QD . . 4.000 3.748 2.316 4.012 0.012 10 0 "[ . 1]" 1
109 1 10 LYS H 1 10 LYS QG . . 3.800 2.170 2.009 2.562 . 0 0 "[ . 1]" 1
110 1 10 LYS H 1 11 PHE H . . 2.800 2.672 2.622 2.719 . 0 0 "[ . 1]" 1
111 1 10 LYS HA 1 11 PHE H . . 3.000 3.110 3.081 3.160 0.160 5 0 "[ . 1]" 1
112 1 10 LYS QD 1 11 PHE QD . . 4.000 3.608 3.228 4.026 0.026 5 0 "[ . 1]" 1
113 1 10 LYS QD 1 11 PHE HZ . . 4.000 3.610 2.832 4.011 0.011 10 0 "[ . 1]" 1
114 1 11 PHE H 1 11 PHE QB . . 3.300 2.486 2.453 2.519 . 0 0 "[ . 1]" 1
115 1 11 PHE H 1 12 GLY H . . 3.500 2.468 1.886 3.246 . 0 0 "[ . 1]" 1
116 1 11 PHE HA 1 12 GLY H . . 3.500 3.019 2.548 3.506 0.006 3 0 "[ . 1]" 1
117 1 11 PHE QB 1 11 PHE QE . . 4.000 3.937 3.923 3.949 . 0 0 "[ . 1]" 1
118 1 12 GLY H 1 13 LYS H . . 3.500 2.892 2.143 3.500 . 9 0 "[ . 1]" 1
119 1 13 LYS H 1 13 LYS QB . . 3.300 2.527 2.189 2.801 . 0 0 "[ . 1]" 1
120 1 13 LYS H 1 13 LYS QD . . 3.800 2.960 2.049 3.809 0.009 7 0 "[ . 1]" 1
121 1 13 LYS H 1 13 LYS QG . . 4.000 3.155 2.249 4.039 0.039 2 0 "[ . 1]" 1
122 1 13 LYS H 1 14 ASN H . . 3.500 2.226 1.902 2.800 . 0 0 "[ . 1]" 1
123 1 13 LYS HA 1 14 ASN H . . 3.300 3.451 3.420 3.520 0.220 10 0 "[ . 1]" 1
124 1 13 LYS QB 1 14 ASN H . . 3.300 3.057 2.954 3.361 0.061 10 0 "[ . 1]" 1
125 1 13 LYS QD 1 14 ASN H . . 3.800 3.391 3.061 3.780 . 0 0 "[ . 1]" 1
126 1 13 LYS QG 1 14 ASN H . . 4.000 3.868 1.936 4.123 0.123 8 0 "[ . 1]" 1
127 1 14 ASN H 1 14 ASN QB . . 3.800 2.352 2.108 2.951 . 0 0 "[ . 1]" 1
128 1 14 ASN H 1 15 LYS H . . 3.500 2.786 2.032 3.462 . 0 0 "[ . 1]" 1
129 1 14 ASN HA 1 15 LYS H . . 3.400 3.034 2.565 3.416 0.016 7 0 "[ . 1]" 1
130 1 15 LYS H 1 15 LYS QB . . 3.300 2.426 2.077 2.973 . 0 0 "[ . 1]" 1
131 1 15 LYS H 1 15 LYS QD . . 3.800 3.447 2.859 3.788 . 0 0 "[ . 1]" 1
132 1 15 LYS H 1 15 LYS QG . . 4.000 2.965 1.975 3.949 . 0 0 "[ . 1]" 1
133 1 15 LYS H 1 16 SER H . . 3.500 2.800 1.991 3.332 . 0 0 "[ . 1]" 1
134 1 15 LYS HA 1 16 SER H . . 3.600 3.116 2.606 3.571 . 0 0 "[ . 1]" 1
135 1 16 SER H 1 16 SER QB . . 3.800 2.434 2.097 2.996 . 0 0 "[ . 1]" 1
136 1 16 SER H 1 17 ARG H . . 3.500 2.645 2.019 3.026 . 0 0 "[ . 1]" 1
137 1 16 SER HA 1 17 ARG H . . 3.600 3.407 2.890 3.570 . 0 0 "[ . 1]" 1
138 1 17 ARG H 1 17 ARG QB . . 3.800 2.404 2.064 2.858 . 0 0 "[ . 1]" 1
139 1 17 ARG H 1 17 ARG QD . . 4.000 3.242 2.208 3.970 . 0 0 "[ . 1]" 1
stop_
save_
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