NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
637812 |
6dza   |
30487 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6dza
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 126
_Distance_constraint_stats_list.Viol_count 191
_Distance_constraint_stats_list.Viol_total 94.174
_Distance_constraint_stats_list.Viol_max 0.223
_Distance_constraint_stats_list.Viol_rms 0.0262
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0075
_Distance_constraint_stats_list.Viol_average_violations_only 0.0493
_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 GLY 0.143 0.069 5 0 "[ . 1]"
1 2 SER 1.086 0.202 6 0 "[ . 1]"
1 3 LYS 1.111 0.202 6 0 "[ . 1]"
1 4 ARG 1.110 0.143 10 0 "[ . 1]"
1 5 PHE 1.325 0.126 10 0 "[ . 1]"
1 6 ARG 1.536 0.150 10 0 "[ . 1]"
1 7 PHE 1.066 0.112 9 0 "[ . 1]"
1 8 DPR 0.000 0.000 . 0 "[ . 1]"
1 9 PRO 1.546 0.223 6 0 "[ . 1]"
1 10 GLU 2.262 0.223 6 0 "[ . 1]"
1 11 ILE 0.717 0.095 10 0 "[ . 1]"
1 12 ILE 1.057 0.143 10 0 "[ . 1]"
1 13 PHE 1.010 0.150 10 0 "[ . 1]"
1 14 ASN 0.151 0.049 5 0 "[ . 1]"
1 15 GLU 0.672 0.221 5 0 "[ . 1]"
1 16 ARG 1.426 0.221 5 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 GLY HA2 1 2 SER H 3.500 2.300 4.700 3.037 2.257 3.561 0.043 7 0 "[ . 1]" 1
2 1 1 GLY HA3 1 2 SER H 3.500 2.300 4.700 3.009 2.231 3.571 0.069 5 0 "[ . 1]" 1
3 1 2 SER H 1 2 SER HA 2.500 . 3.200 2.739 2.305 2.948 . 0 0 "[ . 1]" 1
4 1 2 SER H 1 2 SER HB2 3.500 2.300 4.700 3.586 2.418 3.950 . 0 0 "[ . 1]" 1
5 1 2 SER H 1 2 SER HB3 2.500 . 3.200 3.088 2.857 3.230 0.030 6 0 "[ . 1]" 1
6 1 2 SER H 1 3 LYS H 2.500 . 3.200 2.708 1.732 3.250 0.068 6 0 "[ . 1]" 1
7 1 2 SER HA 1 3 LYS H 2.500 . 3.200 3.073 2.238 3.402 0.202 6 0 "[ . 1]" 1
8 1 2 SER HB2 1 3 LYS H 3.500 2.300 4.700 3.917 2.275 4.646 0.025 4 0 "[ . 1]" 1
9 1 2 SER HB3 1 3 LYS H 4.500 2.900 6.100 4.024 3.229 4.659 . 0 0 "[ . 1]" 1
10 1 3 LYS H 1 3 LYS HA 2.500 . 3.200 2.774 2.299 2.946 . 0 0 "[ . 1]" 1
11 1 3 LYS QB 1 5 PHE QD 2.500 . 3.200 3.186 2.859 3.246 0.046 3 0 "[ . 1]" 1
12 1 4 ARG H 1 4 ARG HA 3.500 2.300 4.700 2.729 2.308 2.862 . 0 0 "[ . 1]" 1
13 1 4 ARG H 1 4 ARG QB 2.500 . 3.200 2.436 2.212 2.824 . 0 0 "[ . 1]" 1
14 1 4 ARG H 1 4 ARG QD 4.500 2.900 6.100 3.947 3.021 5.264 . 0 0 "[ . 1]" 1
15 1 4 ARG H 1 4 ARG HG2 3.500 2.300 4.700 3.368 2.260 4.429 0.040 3 0 "[ . 1]" 1
16 1 4 ARG H 1 4 ARG HG3 3.500 2.300 4.700 3.247 2.261 4.709 0.039 1 0 "[ . 1]" 1
17 1 4 ARG H 1 5 PHE H 3.500 2.300 4.700 4.294 3.625 4.605 . 0 0 "[ . 1]" 1
18 1 4 ARG H 1 13 PHE QD 4.500 2.900 6.100 5.705 4.357 6.108 0.008 9 0 "[ . 1]" 1
19 1 4 ARG HA 1 5 PHE H 2.500 . 3.200 2.214 2.148 2.445 . 0 0 "[ . 1]" 1
20 1 4 ARG HA 1 12 ILE H 3.500 2.300 4.700 4.699 4.279 4.843 0.143 10 0 "[ . 1]" 1
21 1 4 ARG HA 1 13 PHE HA 4.500 2.900 6.100 2.910 2.828 3.287 0.072 8 0 "[ . 1]" 1
22 1 4 ARG HA 1 13 PHE QD 3.500 2.300 4.700 3.656 2.329 4.336 . 0 0 "[ . 1]" 1
23 1 4 ARG HA 1 14 ASN H 4.500 2.900 6.100 4.336 3.072 5.939 . 0 0 "[ . 1]" 1
24 1 4 ARG QB 1 4 ARG HE 3.500 2.300 4.700 2.731 2.295 4.083 0.005 5 0 "[ . 1]" 1
25 1 4 ARG QB 1 5 PHE H 3.500 2.300 4.700 3.509 3.001 3.989 . 0 0 "[ . 1]" 1
26 1 4 ARG QB 1 13 PHE QD 3.500 2.300 4.700 3.316 2.692 4.747 0.047 9 0 "[ . 1]" 1
27 1 4 ARG QD 1 4 ARG HE 2.500 . 3.200 2.413 2.230 2.487 . 0 0 "[ . 1]" 1
28 1 4 ARG QD 1 11 ILE MD 4.500 2.900 6.100 5.920 4.419 6.159 0.059 1 0 "[ . 1]" 1
29 1 4 ARG HE 1 4 ARG HG2 3.500 2.300 4.700 3.381 2.506 3.982 . 0 0 "[ . 1]" 1
30 1 4 ARG HE 1 4 ARG HG3 3.500 2.300 4.700 2.897 2.304 3.967 . 0 0 "[ . 1]" 1
31 1 4 ARG HG2 1 13 PHE QD 4.500 2.900 6.100 4.083 2.869 5.727 0.031 9 0 "[ . 1]" 1
32 1 4 ARG HG3 1 5 PHE H 3.500 2.300 4.700 4.516 4.307 4.724 0.024 5 0 "[ . 1]" 1
33 1 4 ARG HG3 1 13 PHE QD 3.500 2.300 4.700 4.148 2.379 4.723 0.023 1 0 "[ . 1]" 1
34 1 5 PHE H 1 5 PHE HA 3.500 2.300 4.700 2.939 2.844 2.961 . 0 0 "[ . 1]" 1
35 1 5 PHE H 1 5 PHE HB3 2.500 . 3.200 3.225 3.005 3.309 0.109 8 0 "[ . 1]" 1
36 1 5 PHE H 1 11 ILE MD 4.500 2.900 6.100 5.554 4.600 6.145 0.045 7 0 "[ . 1]" 1
37 1 5 PHE H 1 12 ILE O 2.000 . 2.500 2.458 1.682 2.583 0.083 3 0 "[ . 1]" 1
38 1 5 PHE HA 1 6 ARG H 2.500 . 3.200 2.307 2.153 2.866 . 0 0 "[ . 1]" 1
39 1 5 PHE HB2 1 5 PHE QD 2.500 . 3.200 2.407 2.323 2.503 . 0 0 "[ . 1]" 1
40 1 5 PHE HB2 1 6 ARG H 3.500 2.300 4.700 4.378 2.289 4.679 0.011 1 0 "[ . 1]" 1
41 1 5 PHE HB3 1 5 PHE QD 2.500 . 3.200 2.453 2.345 2.732 . 0 0 "[ . 1]" 1
42 1 5 PHE HB3 1 6 ARG H 3.500 2.300 4.700 4.027 3.668 4.241 . 0 0 "[ . 1]" 1
43 1 5 PHE QD 1 6 ARG H 4.500 2.900 6.100 3.891 2.876 4.834 0.024 1 0 "[ . 1]" 1
44 1 5 PHE O 1 12 ILE H 2.000 . 2.500 2.248 1.678 2.626 0.126 10 0 "[ . 1]" 1
45 1 6 ARG H 1 6 ARG HA 2.500 . 3.200 2.856 2.701 2.953 . 0 0 "[ . 1]" 1
46 1 6 ARG H 1 6 ARG HB2 2.500 . 3.200 2.214 2.042 3.199 . 0 0 "[ . 1]" 1
47 1 6 ARG H 1 6 ARG HB3 2.500 . 3.200 3.206 2.734 3.331 0.131 8 0 "[ . 1]" 1
48 1 6 ARG H 1 6 ARG QD 4.500 2.900 6.100 4.515 3.867 5.334 . 0 0 "[ . 1]" 1
49 1 6 ARG H 1 6 ARG HG2 3.500 2.300 4.700 4.382 4.269 4.508 . 0 0 "[ . 1]" 1
50 1 6 ARG H 1 6 ARG HG3 3.500 2.300 4.700 3.687 3.297 4.612 . 0 0 "[ . 1]" 1
51 1 6 ARG H 1 7 PHE H 3.500 2.300 4.700 4.515 3.867 4.662 . 0 0 "[ . 1]" 1
52 1 6 ARG H 1 13 PHE QD 3.500 2.300 4.700 4.751 4.713 4.850 0.150 10 0 "[ . 1]" 1
53 1 6 ARG HA 1 6 ARG HE 3.500 2.300 4.700 4.513 4.288 4.750 0.050 4 0 "[ . 1]" 1
54 1 6 ARG HA 1 7 PHE H 2.500 . 3.200 2.243 2.143 2.396 . 0 0 "[ . 1]" 1
55 1 6 ARG HA 1 11 ILE HA 3.500 2.300 4.700 2.673 2.393 3.427 . 0 0 "[ . 1]" 1
56 1 6 ARG HB2 1 7 PHE H 3.500 2.300 4.700 4.334 4.104 4.545 . 0 0 "[ . 1]" 1
57 1 6 ARG HB3 1 7 PHE H 4.500 2.900 6.100 3.406 2.852 4.450 0.048 8 0 "[ . 1]" 1
58 1 6 ARG QD 1 6 ARG HE 2.500 . 3.200 2.442 2.241 2.506 . 0 0 "[ . 1]" 1
59 1 6 ARG HE 1 6 ARG HG2 3.500 2.300 4.700 3.096 2.211 3.765 0.089 10 0 "[ . 1]" 1
60 1 6 ARG HE 1 6 ARG HG3 3.500 2.300 4.700 2.946 2.303 3.816 . 0 0 "[ . 1]" 1
61 1 6 ARG HE 1 11 ILE MD 3.500 2.300 4.700 4.231 3.116 4.747 0.047 4 0 "[ . 1]" 1
62 1 6 ARG HG2 1 7 PHE H 4.500 2.900 6.100 3.068 2.851 4.063 0.049 8 0 "[ . 1]" 1
63 1 6 ARG HG3 1 7 PHE H 4.500 2.900 6.100 4.001 3.527 4.260 . 0 0 "[ . 1]" 1
64 1 7 PHE H 1 7 PHE HB2 3.500 2.300 4.700 3.202 2.720 3.403 . 0 0 "[ . 1]" 1
65 1 7 PHE H 1 7 PHE HB3 2.500 . 3.200 3.107 2.974 3.213 0.013 2 0 "[ . 1]" 1
66 1 7 PHE H 1 10 GLU H 4.500 2.900 6.100 4.096 3.821 4.346 . 0 0 "[ . 1]" 1
67 1 7 PHE H 1 10 GLU O 2.000 . 2.500 2.322 2.081 2.514 0.014 4 0 "[ . 1]" 1
68 1 7 PHE H 1 11 ILE HA 4.500 2.900 6.100 2.910 2.824 3.122 0.076 3 0 "[ . 1]" 1
69 1 7 PHE HB2 1 7 PHE QD 3.500 2.300 4.700 2.542 2.528 2.593 . 0 0 "[ . 1]" 1
70 1 7 PHE HB3 1 7 PHE QD 3.500 2.300 4.700 2.327 2.319 2.332 . 0 0 "[ . 1]" 1
71 1 7 PHE O 1 10 GLU H 2.000 . 2.500 2.521 2.356 2.612 0.112 9 0 "[ . 1]" 1
72 1 8 DPR HA 1 8 DPR HB2 2.500 . 3.200 2.831 2.720 3.001 . 0 0 "[ . 1]" 1
73 1 8 DPR HA 1 8 DPR HG2 3.500 2.300 4.700 3.895 3.852 3.964 . 0 0 "[ . 1]" 1
74 1 8 DPR HA 1 9 PRO HD2 2.500 . 3.200 2.347 2.335 2.404 . 0 0 "[ . 1]" 1
75 1 8 DPR HA 1 9 PRO HD3 2.500 . 3.200 2.382 2.304 2.468 . 0 0 "[ . 1]" 1
76 1 8 DPR HA 1 10 GLU H 3.500 2.300 4.700 3.535 3.273 3.995 . 0 0 "[ . 1]" 1
77 1 9 PRO HA 1 9 PRO HB2 2.500 . 3.200 2.936 2.716 2.991 . 0 0 "[ . 1]" 1
78 1 9 PRO HA 1 9 PRO HB3 2.500 . 3.200 2.308 2.292 2.318 . 0 0 "[ . 1]" 1
79 1 9 PRO HA 1 9 PRO HD2 4.500 2.900 6.100 3.967 3.928 4.093 . 0 0 "[ . 1]" 1
80 1 9 PRO HA 1 9 PRO HD3 4.500 2.900 6.100 3.538 3.397 3.707 . 0 0 "[ . 1]" 1
81 1 9 PRO HA 1 10 GLU H 2.500 . 3.200 3.333 2.986 3.423 0.223 6 0 "[ . 1]" 1
82 1 9 PRO HD2 1 10 GLU H 3.500 2.300 4.700 3.241 2.593 3.822 . 0 0 "[ . 1]" 1
83 1 9 PRO HD3 1 10 GLU H 4.500 2.900 6.100 4.111 3.792 4.453 . 0 0 "[ . 1]" 1
84 1 10 GLU H 1 10 GLU HA 2.500 . 3.200 2.935 2.790 2.960 . 0 0 "[ . 1]" 1
85 1 10 GLU H 1 10 GLU QB 2.500 . 3.200 2.725 2.404 3.157 . 0 0 "[ . 1]" 1
86 1 10 GLU H 1 10 GLU HG2 3.500 2.300 4.700 3.887 2.300 4.625 0.000 1 0 "[ . 1]" 1
87 1 10 GLU H 1 10 GLU HG3 3.500 2.300 4.700 3.490 2.353 4.856 0.156 7 0 "[ . 1]" 1
88 1 10 GLU H 1 11 ILE H 3.500 2.300 4.700 4.158 3.396 4.466 . 0 0 "[ . 1]" 1
89 1 10 GLU HA 1 11 ILE H 2.500 . 3.200 2.271 2.157 2.543 . 0 0 "[ . 1]" 1
90 1 10 GLU QB 1 11 ILE H 3.500 2.300 4.700 3.284 2.567 4.004 . 0 0 "[ . 1]" 1
91 1 11 ILE H 1 11 ILE HA 2.500 . 3.200 2.932 2.899 2.956 . 0 0 "[ . 1]" 1
92 1 11 ILE H 1 11 ILE MD 3.500 2.300 4.700 4.458 3.810 4.795 0.095 10 0 "[ . 1]" 1
93 1 11 ILE H 1 11 ILE QG 3.500 2.300 4.700 3.675 2.272 4.092 0.028 8 0 "[ . 1]" 1
94 1 11 ILE MD 1 13 PHE QD 3.500 2.300 4.700 3.109 2.490 4.384 . 0 0 "[ . 1]" 1
95 1 12 ILE H 1 12 ILE HA 2.500 . 3.200 2.947 2.929 2.962 . 0 0 "[ . 1]" 1
96 1 12 ILE HA 1 13 PHE H 2.500 . 3.200 2.515 2.143 2.717 . 0 0 "[ . 1]" 1
97 1 13 PHE H 1 13 PHE HA 3.500 2.300 4.700 2.914 2.888 2.960 . 0 0 "[ . 1]" 1
98 1 13 PHE H 1 13 PHE HB2 2.500 . 3.200 2.306 2.119 3.029 . 0 0 "[ . 1]" 1
99 1 13 PHE HA 1 14 ASN H 2.500 . 3.200 2.563 2.153 3.213 0.013 6 0 "[ . 1]" 1
100 1 13 PHE HB2 1 13 PHE QD 2.500 . 3.200 2.639 2.440 2.757 . 0 0 "[ . 1]" 1
101 1 13 PHE HB2 1 14 ASN H 3.500 2.300 4.700 4.207 3.721 4.596 . 0 0 "[ . 1]" 1
102 1 13 PHE HB3 1 13 PHE QD 2.500 . 3.200 2.330 2.313 2.383 . 0 0 "[ . 1]" 1
103 1 13 PHE HB3 1 14 ASN H 3.500 2.300 4.700 3.529 2.251 4.230 0.049 5 0 "[ . 1]" 1
104 1 13 PHE QD 1 14 ASN H 3.500 2.300 4.700 4.040 3.097 4.719 0.019 10 0 "[ . 1]" 1
105 1 14 ASN H 1 14 ASN HA 2.500 . 3.200 2.837 2.690 2.948 . 0 0 "[ . 1]" 1
106 1 14 ASN H 1 14 ASN QB 2.500 . 3.200 2.756 2.284 3.213 0.013 9 0 "[ . 1]" 1
107 1 14 ASN H 1 15 GLU H 3.500 2.300 4.700 4.147 3.188 4.641 . 0 0 "[ . 1]" 1
108 1 14 ASN HA 1 15 GLU H 2.500 . 3.200 2.473 2.260 3.007 . 0 0 "[ . 1]" 1
109 1 14 ASN QB 1 14 ASN QD . 2.300 3.200 2.426 2.285 2.825 0.015 8 0 "[ . 1]" 1
110 1 15 GLU H 1 15 GLU HA 2.500 . 3.200 2.723 2.295 2.956 . 0 0 "[ . 1]" 1
111 1 15 GLU H 1 15 GLU HB2 3.500 2.300 4.700 2.850 2.278 3.474 0.022 3 0 "[ . 1]" 1
112 1 15 GLU H 1 15 GLU HB3 3.500 2.300 4.700 3.802 3.551 4.040 . 0 0 "[ . 1]" 1
113 1 15 GLU H 1 15 GLU QG 3.500 2.300 4.700 2.819 2.285 4.015 0.015 9 0 "[ . 1]" 1
114 1 15 GLU H 1 16 ARG H 3.500 2.300 4.700 3.504 2.612 4.267 . 0 0 "[ . 1]" 1
115 1 15 GLU H 1 16 ARG HE 4.500 2.900 6.100 5.899 4.208 6.130 0.030 10 0 "[ . 1]" 1
116 1 15 GLU HA 1 16 ARG H 2.500 . 3.200 2.688 2.146 3.421 0.221 5 0 "[ . 1]" 1
117 1 15 GLU HB3 1 16 ARG H 3.500 2.300 4.700 3.712 2.204 4.589 0.096 9 0 "[ . 1]" 1
118 1 15 GLU QG 1 16 ARG H 4.500 2.900 6.100 4.123 2.883 4.748 0.017 10 0 "[ . 1]" 1
119 1 16 ARG H 1 16 ARG HA 2.500 . 3.200 2.832 2.714 2.938 . 0 0 "[ . 1]" 1
120 1 16 ARG H 1 16 ARG HB2 3.500 2.300 4.700 3.138 2.210 3.937 0.090 5 0 "[ . 1]" 1
121 1 16 ARG H 1 16 ARG HB3 2.500 . 3.200 2.985 2.559 3.351 0.151 10 0 "[ . 1]" 1
122 1 16 ARG H 1 16 ARG QG 3.500 2.300 4.700 3.370 2.302 4.287 . 0 0 "[ . 1]" 1
123 1 16 ARG HA 1 16 ARG HE 4.500 2.900 6.100 4.201 2.864 5.374 0.036 7 0 "[ . 1]" 1
124 1 16 ARG HB2 1 16 ARG HE 4.500 2.900 6.100 3.496 2.843 4.723 0.057 7 0 "[ . 1]" 1
125 1 16 ARG HB3 1 16 ARG HE 3.500 2.300 4.700 3.304 2.296 4.430 0.004 4 0 "[ . 1]" 1
126 1 16 ARG QD 1 16 ARG HE 3.500 2.300 4.700 2.363 2.224 2.486 0.076 7 0 "[ . 1]" 1
stop_
save_
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