Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
600307 | 2n6m RC | 25769 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n6m
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 169
_Distance_constraint_stats_list.Viol_count 1127
_Distance_constraint_stats_list.Viol_total 1530.026
_Distance_constraint_stats_list.Viol_max 0.258
_Distance_constraint_stats_list.Viol_rms 0.0443
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0226
_Distance_constraint_stats_list.Viol_average_violations_only 0.0679
_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 1.132 0.118 14 0 "[ . 1 . 2]"
1 2 ILE 9.233 0.199 15 0 "[ . 1 . 2]"
1 3 PHE 1.465 0.068 18 0 "[ . 1 . 2]"
1 4 SER 5.580 0.189 18 0 "[ . 1 . 2]"
1 5 LYS 12.322 0.227 16 0 "[ . 1 . 2]"
1 6 LEU 4.192 0.140 16 0 "[ . 1 . 2]"
1 7 ALA 9.434 0.227 16 0 "[ . 1 . 2]"
1 8 GLY 7.192 0.148 2 0 "[ . 1 . 2]"
1 9 LYS 14.161 0.178 11 0 "[ . 1 . 2]"
1 10 LYS 14.294 0.160 2 0 "[ . 1 . 2]"
1 11 ILE 8.863 0.148 2 0 "[ . 1 . 2]"
1 12 LYS 14.572 0.178 11 0 "[ . 1 . 2]"
1 13 ASN 7.646 0.159 1 0 "[ . 1 . 2]"
1 14 LEU 6.119 0.177 17 0 "[ . 1 . 2]"
1 15 LEU 6.876 0.127 11 0 "[ . 1 . 2]"
1 16 ILE 4.485 0.132 7 0 "[ . 1 . 2]"
1 17 SER 10.925 0.258 17 0 "[ . 1 . 2]"
1 18 GLY 4.508 0.127 11 0 "[ . 1 . 2]"
1 19 LEU 6.449 0.258 17 0 "[ . 1 . 2]"
1 20 LYS 1.147 0.074 8 0 "[ . 1 . 2]"
1 21 GLY 0.451 0.072 17 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 GLY QA 1 2 ILE H . . 3.500 2.547 2.270 2.748 . 0 0 "[ . 1 . 2]" 1
2 1 1 GLY QA 1 3 PHE H . . 4.400 4.301 4.153 4.414 0.014 18 0 "[ . 1 . 2]" 1
3 1 1 GLY QA 1 4 SER H . . 3.400 3.201 3.121 3.518 0.118 14 0 "[ . 1 . 2]" 1
4 1 1 GLY QA 1 5 LYS H . . 4.200 4.192 3.688 4.255 0.055 2 0 "[ . 1 . 2]" 1
5 1 2 ILE H 1 2 ILE HB . . 4.200 3.556 3.552 3.569 . 0 0 "[ . 1 . 2]" 1
6 1 2 ILE H 1 2 ILE MD . . 4.000 3.430 2.301 3.574 . 0 0 "[ . 1 . 2]" 1
7 1 2 ILE H 1 2 ILE QG . . 4.000 1.848 1.833 1.928 . 0 0 "[ . 1 . 2]" 1
8 1 2 ILE H 1 4 SER H . . 4.200 3.585 2.698 3.698 . 0 0 "[ . 1 . 2]" 1
9 1 2 ILE HA 1 3 PHE H . . 3.500 3.554 3.550 3.568 0.068 18 0 "[ . 1 . 2]" 1
10 1 2 ILE HA 1 5 LYS H . . 3.600 3.783 3.735 3.799 0.199 15 0 "[ . 1 . 2]" 1
11 1 2 ILE HB 1 3 PHE H . . 4.200 2.463 2.430 2.594 . 0 0 "[ . 1 . 2]" 1
12 1 2 ILE HB 1 4 SER H . . 4.400 4.525 4.512 4.585 0.185 18 0 "[ . 1 . 2]" 1
13 1 2 ILE MD 1 3 PHE H . . 4.000 2.193 2.013 3.477 . 0 0 "[ . 1 . 2]" 1
14 1 2 ILE MD 1 3 PHE QD . . 4.000 2.290 1.937 4.047 0.047 18 0 "[ . 1 . 2]" 1
15 1 2 ILE MD 1 3 PHE QE . . 4.400 3.031 2.752 3.631 . 0 0 "[ . 1 . 2]" 1
16 1 2 ILE MD 1 3 PHE HZ . . 4.400 4.413 4.401 4.467 0.067 14 0 "[ . 1 . 2]" 1
17 1 2 ILE MD 1 4 SER H . . 4.300 4.382 4.360 4.489 0.189 18 0 "[ . 1 . 2]" 1
18 1 2 ILE QG 1 3 PHE H . . 4.000 1.876 1.757 1.893 . 0 0 "[ . 1 . 2]" 1
19 1 2 ILE QG 1 4 SER H . . 4.000 3.506 3.488 3.583 . 0 0 "[ . 1 . 2]" 1
20 1 3 PHE H 1 4 SER H . . 3.000 2.646 2.457 2.669 . 0 0 "[ . 1 . 2]" 1
21 1 3 PHE HA 1 4 SER H . . 3.500 3.381 3.328 3.391 . 0 0 "[ . 1 . 2]" 1
22 1 3 PHE QB 1 4 SER H . . 4.200 3.430 3.127 3.753 . 0 0 "[ . 1 . 2]" 1
23 1 4 SER H 1 5 LYS H . . 3.000 2.336 2.015 2.381 . 0 0 "[ . 1 . 2]" 1
24 1 4 SER HA 1 5 LYS H . . 3.500 3.247 3.216 3.286 . 0 0 "[ . 1 . 2]" 1
25 1 4 SER HA 1 6 LEU H . . 4.400 3.795 3.598 3.852 . 0 0 "[ . 1 . 2]" 1
26 1 4 SER HA 1 7 ALA H . . 3.400 2.928 2.908 2.956 . 0 0 "[ . 1 . 2]" 1
27 1 4 SER HA 1 8 GLY H . . 4.200 4.222 4.210 4.252 0.052 15 0 "[ . 1 . 2]" 1
28 1 4 SER QB 1 5 LYS H . . 4.200 3.542 3.359 3.869 . 0 0 "[ . 1 . 2]" 1
29 1 4 SER QB 1 7 ALA H . . 3.800 3.839 3.814 3.856 0.056 15 0 "[ . 1 . 2]" 1
30 1 5 LYS H 1 5 LYS QD . . 4.000 3.693 1.966 3.828 . 0 0 "[ . 1 . 2]" 1
31 1 5 LYS H 1 5 LYS QG . . 4.000 2.145 2.019 3.516 . 0 0 "[ . 1 . 2]" 1
32 1 5 LYS H 1 6 LEU H . . 3.000 2.882 2.791 2.923 . 0 0 "[ . 1 . 2]" 1
33 1 5 LYS HA 1 6 LEU H . . 3.500 3.545 3.513 3.552 0.052 2 0 "[ . 1 . 2]" 1
34 1 5 LYS HA 1 7 ALA H . . 4.400 4.203 4.153 4.270 . 0 0 "[ . 1 . 2]" 1
35 1 5 LYS HA 1 9 LYS H . . 4.200 4.282 4.259 4.290 0.090 17 0 "[ . 1 . 2]" 1
36 1 5 LYS QB 1 6 LEU H . . 4.200 3.302 3.252 3.424 . 0 0 "[ . 1 . 2]" 1
37 1 5 LYS QB 1 7 ALA H . . 4.800 4.877 4.862 4.941 0.141 13 0 "[ . 1 . 2]" 1
38 1 5 LYS QD 1 6 LEU H . . 4.000 2.043 1.974 2.157 . 0 0 "[ . 1 . 2]" 1
39 1 5 LYS QD 1 7 ALA H . . 4.000 4.177 3.955 4.227 0.227 16 0 "[ . 1 . 2]" 1
40 1 5 LYS QG 1 6 LEU H . . 4.000 2.062 2.007 2.572 . 0 0 "[ . 1 . 2]" 1
41 1 5 LYS QG 1 7 ALA H . . 4.400 4.188 4.131 4.517 0.117 13 0 "[ . 1 . 2]" 1
42 1 6 LEU H 1 6 LEU QD . . 4.400 2.781 1.856 3.747 . 0 0 "[ . 1 . 2]" 1
43 1 6 LEU H 1 6 LEU HG . . 4.200 2.412 1.927 4.219 0.019 2 0 "[ . 1 . 2]" 1
44 1 6 LEU H 1 7 ALA H . . 3.000 2.470 2.382 2.512 . 0 0 "[ . 1 . 2]" 1
45 1 6 LEU HA 1 7 ALA H . . 3.500 3.466 3.454 3.477 . 0 0 "[ . 1 . 2]" 1
46 1 6 LEU HA 1 8 GLY H . . 4.400 4.433 4.420 4.442 0.042 20 0 "[ . 1 . 2]" 1
47 1 6 LEU HA 1 9 LYS H . . 3.500 3.410 3.360 3.478 . 0 0 "[ . 1 . 2]" 1
48 1 6 LEU HA 1 10 LYS H . . 4.200 3.827 3.730 4.019 . 0 0 "[ . 1 . 2]" 1
49 1 6 LEU QB 1 7 ALA H . . 4.200 3.528 2.924 3.594 . 0 0 "[ . 1 . 2]" 1
50 1 6 LEU QB 1 9 LYS H . . 4.800 4.867 4.841 4.940 0.140 16 0 "[ . 1 . 2]" 1
51 1 6 LEU QD 1 7 ALA H . . 4.000 2.405 1.867 3.904 . 0 0 "[ . 1 . 2]" 1
52 1 6 LEU QD 1 9 LYS H . . 4.700 4.740 4.256 4.820 0.120 15 0 "[ . 1 . 2]" 1
53 1 6 LEU HG 1 7 ALA H . . 4.000 2.755 2.622 3.597 . 0 0 "[ . 1 . 2]" 1
54 1 7 ALA H 1 8 GLY H . . 3.000 2.513 2.428 2.576 . 0 0 "[ . 1 . 2]" 1
55 1 7 ALA H 1 9 LYS H . . 4.200 3.729 3.688 3.763 . 0 0 "[ . 1 . 2]" 1
56 1 7 ALA HA 1 8 GLY H . . 3.500 3.539 3.529 3.543 0.043 2 0 "[ . 1 . 2]" 1
57 1 7 ALA HA 1 10 LYS H . . 3.700 3.832 3.811 3.860 0.160 2 0 "[ . 1 . 2]" 1
58 1 7 ALA MB 1 8 GLY H . . 4.200 2.664 2.558 2.726 . 0 0 "[ . 1 . 2]" 1
59 1 8 GLY H 1 9 LYS H . . 3.000 2.413 2.396 2.420 . 0 0 "[ . 1 . 2]" 1
60 1 8 GLY H 1 10 LYS H . . 4.200 4.229 4.183 4.261 0.061 13 0 "[ . 1 . 2]" 1
61 1 8 GLY QA 1 9 LYS H . . 3.500 2.868 2.861 2.877 . 0 0 "[ . 1 . 2]" 1
62 1 8 GLY QA 1 10 LYS H . . 4.400 4.204 4.142 4.232 . 0 0 "[ . 1 . 2]" 1
63 1 8 GLY QA 1 11 ILE H . . 3.600 3.724 3.675 3.748 0.148 2 0 "[ . 1 . 2]" 1
64 1 8 GLY QA 1 12 LYS H . . 4.200 4.311 4.293 4.324 0.124 15 0 "[ . 1 . 2]" 1
65 1 9 LYS H 1 9 LYS QD . . 4.200 4.242 4.226 4.299 0.099 16 0 "[ . 1 . 2]" 1
66 1 9 LYS H 1 9 LYS QG . . 4.200 3.924 3.869 3.941 . 0 0 "[ . 1 . 2]" 1
67 1 9 LYS H 1 10 LYS H . . 3.000 2.428 2.383 2.452 . 0 0 "[ . 1 . 2]" 1
68 1 9 LYS H 1 11 ILE H . . 4.200 4.118 3.985 4.200 . 0 0 "[ . 1 . 2]" 1
69 1 9 LYS HA 1 10 LYS H . . 3.500 3.537 3.528 3.540 0.040 18 0 "[ . 1 . 2]" 1
70 1 9 LYS HA 1 12 LYS H . . 3.600 3.564 3.550 3.584 . 0 0 "[ . 1 . 2]" 1
71 1 9 LYS HA 1 13 ASN H . . 4.400 4.434 4.408 4.483 0.083 11 0 "[ . 1 . 2]" 1
72 1 9 LYS QB 1 10 LYS H . . 4.200 2.643 2.618 2.727 . 0 0 "[ . 1 . 2]" 1
73 1 9 LYS QB 1 12 LYS H . . 4.900 5.029 5.010 5.064 0.164 12 0 "[ . 1 . 2]" 1
74 1 9 LYS QD 1 10 LYS H . . 4.000 4.103 4.086 4.117 0.117 20 0 "[ . 1 . 2]" 1
75 1 9 LYS QD 1 12 LYS H . . 4.000 4.152 4.128 4.178 0.178 11 0 "[ . 1 . 2]" 1
76 1 9 LYS QG 1 10 LYS H . . 4.000 3.290 3.177 3.341 . 0 0 "[ . 1 . 2]" 1
77 1 10 LYS H 1 10 LYS QD . . 4.200 4.244 4.220 4.265 0.065 13 0 "[ . 1 . 2]" 1
78 1 10 LYS H 1 10 LYS QG . . 4.200 3.940 3.893 4.008 . 0 0 "[ . 1 . 2]" 1
79 1 10 LYS H 1 11 ILE H . . 3.000 2.751 2.679 2.806 . 0 0 "[ . 1 . 2]" 1
80 1 10 LYS HA 1 11 ILE H . . 3.500 3.558 3.548 3.563 0.063 13 0 "[ . 1 . 2]" 1
81 1 10 LYS HA 1 12 LYS H . . 4.400 4.078 4.046 4.111 . 0 0 "[ . 1 . 2]" 1
82 1 10 LYS HA 1 13 ASN H . . 4.200 3.116 3.107 3.129 . 0 0 "[ . 1 . 2]" 1
83 1 10 LYS QB 1 11 ILE H . . 4.200 2.481 2.325 2.623 . 0 0 "[ . 1 . 2]" 1
84 1 10 LYS QB 1 13 ASN H . . 4.500 4.634 4.596 4.659 0.159 1 0 "[ . 1 . 2]" 1
85 1 10 LYS QD 1 11 ILE H . . 4.000 3.737 2.947 4.093 0.093 13 0 "[ . 1 . 2]" 1
86 1 10 LYS QD 1 13 ASN H . . 4.000 3.962 3.781 4.121 0.121 20 0 "[ . 1 . 2]" 1
87 1 10 LYS QG 1 11 ILE H . . 4.000 3.305 2.926 4.113 0.113 20 0 "[ . 1 . 2]" 1
88 1 10 LYS QG 1 13 ASN H . . 4.600 4.671 4.620 4.699 0.099 10 0 "[ . 1 . 2]" 1
89 1 11 ILE H 1 11 ILE HB . . 4.200 3.611 3.611 3.613 . 0 0 "[ . 1 . 2]" 1
90 1 11 ILE H 1 11 ILE MD . . 4.300 3.880 3.843 3.902 . 0 0 "[ . 1 . 2]" 1
91 1 11 ILE H 1 11 ILE QG . . 4.300 2.292 2.244 2.317 . 0 0 "[ . 1 . 2]" 1
92 1 11 ILE H 1 11 ILE MG . . 4.300 1.946 1.930 1.991 . 0 0 "[ . 1 . 2]" 1
93 1 11 ILE H 1 12 LYS H . . 3.000 2.717 2.689 2.733 . 0 0 "[ . 1 . 2]" 1
94 1 11 ILE H 1 13 ASN H . . 4.200 3.862 3.802 3.904 . 0 0 "[ . 1 . 2]" 1
95 1 11 ILE HA 1 12 LYS H . . 3.600 3.495 3.490 3.500 . 0 0 "[ . 1 . 2]" 1
96 1 11 ILE HB 1 12 LYS H . . 3.800 3.907 3.884 3.925 0.125 3 0 "[ . 1 . 2]" 1
97 1 11 ILE MD 1 12 LYS H . . 3.300 2.848 2.750 2.960 . 0 0 "[ . 1 . 2]" 1
98 1 11 ILE QG 1 12 LYS H . . 3.300 1.942 1.929 1.955 . 0 0 "[ . 1 . 2]" 1
99 1 11 ILE MG 1 12 LYS H . . 3.800 3.882 3.876 3.889 0.089 1 0 "[ . 1 . 2]" 1
100 1 12 LYS H 1 12 LYS QD . . 4.300 4.269 4.184 4.319 0.019 4 0 "[ . 1 . 2]" 1
101 1 12 LYS H 1 13 ASN H . . 3.000 2.251 2.235 2.269 . 0 0 "[ . 1 . 2]" 1
102 1 12 LYS H 1 14 LEU H . . 4.200 4.273 4.217 4.303 0.103 19 0 "[ . 1 . 2]" 1
103 1 12 LYS HA 1 13 ASN H . . 4.300 3.340 3.272 3.382 . 0 0 "[ . 1 . 2]" 1
104 1 12 LYS HA 1 14 LEU H . . 4.400 3.352 3.230 3.421 . 0 0 "[ . 1 . 2]" 1
105 1 12 LYS QB 1 13 ASN H . . 4.000 3.411 3.131 3.822 . 0 0 "[ . 1 . 2]" 1
106 1 12 LYS QB 1 15 LEU H . . 4.600 4.657 4.613 4.694 0.094 14 0 "[ . 1 . 2]" 1
107 1 12 LYS QD 1 13 ASN H . . 4.000 3.999 3.954 4.013 0.013 9 0 "[ . 1 . 2]" 1
108 1 12 LYS QD 1 15 LEU H . . 4.500 3.873 3.513 4.490 . 0 0 "[ . 1 . 2]" 1
109 1 12 LYS QG 1 13 ASN H . . 4.600 3.907 2.835 4.609 0.009 13 0 "[ . 1 . 2]" 1
110 1 13 ASN H 1 14 LEU H . . 3.000 2.682 2.559 2.757 . 0 0 "[ . 1 . 2]" 1
111 1 13 ASN HA 1 14 LEU H . . 3.500 3.418 3.331 3.458 . 0 0 "[ . 1 . 2]" 1
112 1 13 ASN HA 1 16 ILE H . . 3.400 3.458 3.418 3.490 0.090 11 0 "[ . 1 . 2]" 1
113 1 13 ASN HA 1 17 SER H . . 4.300 4.340 4.310 4.355 0.055 17 0 "[ . 1 . 2]" 1
114 1 13 ASN QB 1 14 LEU H . . 4.200 3.037 2.913 3.276 . 0 0 "[ . 1 . 2]" 1
115 1 14 LEU H 1 14 LEU QD . . 4.300 3.690 3.665 3.720 . 0 0 "[ . 1 . 2]" 1
116 1 14 LEU H 1 15 LEU H . . 3.000 2.649 2.520 2.830 . 0 0 "[ . 1 . 2]" 1
117 1 14 LEU HA 1 15 LEU H . . 3.500 3.535 3.521 3.568 0.068 12 0 "[ . 1 . 2]" 1
118 1 14 LEU HA 1 17 SER H . . 3.400 3.427 3.411 3.456 0.056 17 0 "[ . 1 . 2]" 1
119 1 14 LEU QB 1 15 LEU H . . 4.200 2.552 2.285 2.632 . 0 0 "[ . 1 . 2]" 1
120 1 14 LEU QB 1 17 SER H . . 4.700 4.843 4.767 4.877 0.177 17 0 "[ . 1 . 2]" 1
121 1 14 LEU QD 1 15 LEU H . . 4.000 3.881 3.643 3.946 . 0 0 "[ . 1 . 2]" 1
122 1 14 LEU QD 1 17 SER H . . 4.000 4.028 4.013 4.034 0.034 17 0 "[ . 1 . 2]" 1
123 1 14 LEU HG 1 15 LEU H . . 4.000 3.772 3.290 3.911 . 0 0 "[ . 1 . 2]" 1
124 1 15 LEU H 1 15 LEU QD . . 4.000 3.403 2.481 3.615 . 0 0 "[ . 1 . 2]" 1
125 1 15 LEU H 1 16 ILE H . . 3.000 2.766 2.685 2.824 . 0 0 "[ . 1 . 2]" 1
126 1 15 LEU HA 1 16 ILE H . . 3.500 3.558 3.546 3.563 0.063 4 0 "[ . 1 . 2]" 1
127 1 15 LEU HA 1 18 GLY H . . 3.400 3.429 3.388 3.444 0.044 13 0 "[ . 1 . 2]" 1
128 1 15 LEU HA 1 19 LEU H . . 4.200 4.234 4.225 4.242 0.042 17 0 "[ . 1 . 2]" 1
129 1 15 LEU QB 1 16 ILE H . . 4.200 2.347 2.291 2.453 . 0 0 "[ . 1 . 2]" 1
130 1 15 LEU QB 1 18 GLY H . . 4.800 4.900 4.815 4.927 0.127 11 0 "[ . 1 . 2]" 1
131 1 15 LEU QD 1 16 ILE H . . 4.000 3.781 2.487 3.985 . 0 0 "[ . 1 . 2]" 1
132 1 15 LEU QD 1 18 GLY H . . 4.600 4.588 4.509 4.696 0.096 4 0 "[ . 1 . 2]" 1
133 1 15 LEU HG 1 16 ILE H . . 4.000 4.009 4.006 4.019 0.019 4 0 "[ . 1 . 2]" 1
134 1 16 ILE H 1 16 ILE HB . . 3.800 3.286 2.622 3.626 . 0 0 "[ . 1 . 2]" 1
135 1 16 ILE H 1 16 ILE MD . . 4.300 3.552 2.479 4.126 . 0 0 "[ . 1 . 2]" 1
136 1 16 ILE H 1 16 ILE QG . . 4.100 2.371 1.951 4.045 . 0 0 "[ . 1 . 2]" 1
137 1 16 ILE H 1 16 ILE MG . . 4.100 2.469 1.913 3.766 . 0 0 "[ . 1 . 2]" 1
138 1 16 ILE H 1 17 SER H . . 3.000 2.568 2.512 2.589 . 0 0 "[ . 1 . 2]" 1
139 1 16 ILE H 1 18 GLY H . . 4.200 4.200 4.169 4.230 0.030 16 0 "[ . 1 . 2]" 1
140 1 16 ILE HA 1 17 SER H . . 3.500 3.436 3.404 3.466 . 0 0 "[ . 1 . 2]" 1
141 1 16 ILE HA 1 18 GLY H . . 4.400 4.447 4.414 4.485 0.085 12 0 "[ . 1 . 2]" 1
142 1 16 ILE HB 1 17 SER H . . 4.200 3.875 2.963 4.179 . 0 0 "[ . 1 . 2]" 1
143 1 16 ILE MD 1 17 SER H . . 4.200 4.103 2.775 4.332 0.132 7 0 "[ . 1 . 2]" 1
144 1 16 ILE QG 1 17 SER H . . 4.000 2.986 2.274 4.094 0.094 14 0 "[ . 1 . 2]" 1
145 1 16 ILE MG 1 17 SER H . . 4.000 3.747 2.411 4.055 0.055 11 0 "[ . 1 . 2]" 1
146 1 17 SER H 1 18 GLY H . . 3.000 2.342 2.261 2.397 . 0 0 "[ . 1 . 2]" 1
147 1 17 SER H 1 19 LEU H . . 4.200 3.576 3.516 3.633 . 0 0 "[ . 1 . 2]" 1
148 1 17 SER HA 1 18 GLY H . . 3.500 3.521 3.514 3.526 0.026 12 0 "[ . 1 . 2]" 1
149 1 17 SER HA 1 19 LEU H . . 4.400 3.968 3.945 3.990 . 0 0 "[ . 1 . 2]" 1
150 1 17 SER HA 1 21 GLY H . . 4.200 4.155 3.375 4.225 0.025 17 0 "[ . 1 . 2]" 1
151 1 17 SER QB 1 18 GLY H . . 4.200 2.756 2.730 2.807 . 0 0 "[ . 1 . 2]" 1
152 1 17 SER QB 1 19 LEU H . . 4.200 4.439 4.420 4.458 0.258 17 0 "[ . 1 . 2]" 1
153 1 18 GLY H 1 19 LEU H . . 3.000 2.377 2.356 2.399 . 0 0 "[ . 1 . 2]" 1
154 1 18 GLY QA 1 19 LEU H . . 3.500 2.917 2.914 2.919 . 0 0 "[ . 1 . 2]" 1
155 1 19 LEU H 1 19 LEU QB . . 3.800 2.245 2.202 2.339 . 0 0 "[ . 1 . 2]" 1
156 1 19 LEU H 1 19 LEU QD . . 4.200 3.758 3.634 3.848 . 0 0 "[ . 1 . 2]" 1
157 1 19 LEU H 1 20 LYS H . . 3.000 2.622 2.029 2.915 . 0 0 "[ . 1 . 2]" 1
158 1 19 LEU HA 1 20 LYS H . . 3.500 3.537 3.466 3.556 0.056 8 0 "[ . 1 . 2]" 1
159 1 19 LEU HA 1 21 GLY H . . 4.400 4.405 4.367 4.446 0.046 17 0 "[ . 1 . 2]" 1
160 1 19 LEU QB 1 20 LYS H . . 4.200 2.284 1.861 2.886 . 0 0 "[ . 1 . 2]" 1
161 1 19 LEU QD 1 20 LYS H . . 4.000 3.249 2.000 4.000 . 0 0 "[ . 1 . 2]" 1
162 1 19 LEU HG 1 20 LYS H . . 4.000 3.215 2.483 4.074 0.074 8 0 "[ . 1 . 2]" 1
163 1 20 LYS H 1 20 LYS QD . . 4.100 3.407 2.003 4.161 0.061 17 0 "[ . 1 . 2]" 1
164 1 20 LYS H 1 20 LYS QG . . 4.200 2.613 1.932 4.040 . 0 0 "[ . 1 . 2]" 1
165 1 20 LYS H 1 21 GLY H . . 3.000 2.415 2.067 2.879 . 0 0 "[ . 1 . 2]" 1
166 1 20 LYS HA 1 21 GLY H . . 3.500 3.462 3.387 3.556 0.056 17 0 "[ . 1 . 2]" 1
167 1 20 LYS QB 1 21 GLY H . . 4.200 3.375 2.538 3.732 . 0 0 "[ . 1 . 2]" 1
168 1 20 LYS QD 1 21 GLY H . . 4.000 3.616 3.077 4.072 0.072 17 0 "[ . 1 . 2]" 1
169 1 20 LYS QG 1 21 GLY H . . 4.000 2.749 2.137 4.063 0.063 19 0 "[ . 1 . 2]" 1
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