NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
397054 |
1spy   |
cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1spy
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 363
_Distance_constraint_stats_list.Viol_count 45
_Distance_constraint_stats_list.Viol_total 124.268
_Distance_constraint_stats_list.Viol_max 0.273
_Distance_constraint_stats_list.Viol_rms 0.0053
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0690
_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 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 3 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 4 ILE 0.036 0.020 32 0 "[ . 1 . 2 . 3 . 4]"
1 5 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 6 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 7 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 8 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 9 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 10 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 11 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 12 LEU 0.024 0.018 16 0 "[ . 1 . 2 . 3 . 4]"
1 13 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 14 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 15 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 16 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 17 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 18 ASN 0.214 0.056 25 0 "[ . 1 . 2 . 3 . 4]"
1 19 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 20 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 21 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 22 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 23 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 24 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 25 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 26 ILE 1.683 0.212 13 0 "[ . 1 . 2 . 3 . 4]"
1 27 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 28 VAL 0.505 0.273 33 0 "[ . 1 . 2 . 3 . 4]"
1 29 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 30 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 31 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 32 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 33 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 34 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 35 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 36 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 37 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 38 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 39 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 40 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 41 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 42 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 43 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 44 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 45 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 46 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 47 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 48 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 49 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 50 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 51 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 53 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 54 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 55 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 56 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 57 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 58 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 60 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 61 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 62 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 63 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 64 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 65 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 66 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 67 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 69 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 70 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 71 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 72 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 73 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 74 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 75 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 76 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 77 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 78 LEU 0.636 0.088 3 0 "[ . 1 . 2 . 3 . 4]"
1 79 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 80 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 81 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 82 VAL 0.009 0.009 32 0 "[ . 1 . 2 . 3 . 4]"
1 83 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 84 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 85 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 86 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 87 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
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 22 ALA H 1 22 ALA MB 2.770 . 3.840 2.041 1.909 2.162 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
2 1 23 ALA HA 1 23 ALA MB 2.430 . 3.160 2.140 2.113 2.157 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
3 1 23 ALA H 1 23 ALA HA 2.560 . 3.410 2.947 2.748 3.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
4 1 23 ALA H 1 23 ALA MB 2.590 . 3.480 2.175 1.954 2.379 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
5 1 31 ALA HA 1 31 ALA MB 2.420 . 3.150 2.130 2.114 2.154 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
6 1 31 ALA H 1 31 ALA HA 2.610 . 3.520 2.602 2.346 2.999 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
7 1 7 ALA HA 1 7 ALA MB 2.420 . 3.140 2.130 2.114 2.156 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
8 1 7 ALA H 1 7 ALA HA 2.520 . 3.340 2.888 2.803 2.927 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
9 1 7 ALA H 1 7 ALA MB 2.540 . 3.380 2.007 1.908 2.169 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
10 1 8 ALA H 1 8 ALA MB 3.120 . 4.540 2.024 1.910 2.162 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
11 1 35 CYS H 1 35 CYS HA 3.000 . 4.300 2.998 2.970 3.008 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
12 1 35 CYS H 1 35 CYS QB 3.270 . 4.830 2.618 2.293 3.041 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
13 1 25 ASP H 1 25 ASP HA 2.670 . 3.630 2.849 2.760 2.869 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
14 1 25 ASP H 1 25 ASP QB 2.610 . 3.530 2.075 1.919 2.438 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
15 1 3 ASP H 1 3 ASP QB 3.160 . 4.620 2.644 2.007 3.304 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
16 1 33 ASP H 1 33 ASP QB 2.960 . 4.210 2.885 1.924 3.439 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
17 1 62 ASP H 1 62 ASP HA 2.670 . 3.650 2.842 2.752 2.902 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
18 1 62 ASP H 1 62 ASP QB 2.650 . 3.600 2.094 1.929 2.461 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
19 1 65 ASP H 1 65 ASP HA 2.690 . 3.670 2.940 2.742 3.001 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
20 1 65 ASP H 1 65 ASP QB 2.600 . 3.500 2.162 1.935 2.363 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
21 1 67 ASP H 1 67 ASP QB 3.120 . 4.540 2.454 1.962 3.401 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
22 1 73 ASP HA 1 73 ASP QB 2.670 . 3.640 2.342 2.204 2.550 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
23 1 73 ASP H 1 73 ASP QB 2.600 . 3.500 2.596 2.248 3.014 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
24 1 75 ASP H 1 75 ASP QB 2.610 . 3.530 2.167 1.978 2.673 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
25 1 87 ASP HA 1 87 ASP QB 2.660 . 3.620 2.423 2.198 2.550 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
26 1 10 GLU HA 1 10 GLU QG 3.080 . 4.460 2.367 1.927 3.374 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
27 1 10 GLU H 1 10 GLU QB 3.260 . 4.820 2.116 1.927 2.543 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
28 1 10 GLU H 1 10 GLU QG 3.060 . 4.420 3.211 1.872 3.952 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
29 1 14 GLU HA 1 14 GLU QG 3.610 . 5.520 2.393 1.934 3.303 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
30 1 14 GLU H 1 14 GLU HA 2.890 . 4.080 2.824 2.761 2.900 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
31 1 14 GLU H 1 14 GLU QG 3.440 . 5.180 3.436 1.990 4.027 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
32 1 15 GLU H 1 15 GLU HA 2.810 . 3.910 2.845 2.762 2.928 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
33 1 15 GLU H 1 15 GLU QB 2.980 . 4.250 2.127 1.927 2.525 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
34 1 15 GLU H 1 15 GLU QG 3.430 . 5.160 3.186 1.909 4.021 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
35 1 15 GLU HA 1 15 GLU QG 2.990 . 4.280 2.388 1.958 3.354 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
36 1 19 GLU HA 1 19 GLU QG 3.240 . 4.780 2.249 1.909 3.377 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
37 1 19 GLU H 1 19 GLU HA 2.810 . 3.910 2.852 2.784 2.921 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
38 1 19 GLU H 1 19 GLU QB 2.980 . 4.260 2.046 1.919 2.258 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
39 1 19 GLU H 1 19 GLU QG 3.290 . 4.880 3.632 2.217 3.990 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
40 1 32 GLU HA 1 32 GLU QG 3.230 . 4.760 2.342 1.925 3.311 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
41 1 32 GLU H 1 32 GLU HA 2.940 . 4.170 2.738 2.354 3.001 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
42 1 32 GLU H 1 32 GLU QG 3.710 . 5.710 3.236 1.845 4.127 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
43 1 40 GLU H 1 40 GLU QB 2.880 . 4.060 2.324 2.060 2.716 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
44 1 40 GLU HA 1 40 GLU QG 3.040 . 4.380 2.725 2.151 3.444 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
45 1 40 GLU H 1 40 GLU QG 2.810 . 3.930 2.354 1.950 2.940 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
46 1 55 GLU H 1 55 GLU HA 2.830 . 3.970 2.873 2.765 2.940 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
47 1 55 GLU H 1 55 GLU QB 2.770 . 3.830 2.118 1.923 2.433 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
48 1 55 GLU H 1 55 GLU QG 3.330 . 4.950 3.218 1.961 4.021 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
49 1 55 GLU HA 1 55 GLU QG 2.950 . 4.200 2.290 1.927 3.346 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
50 1 56 GLU HA 1 56 GLU HB3 2.650 . 3.600 2.738 2.552 2.864 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
51 1 56 GLU H 1 56 GLU HA 2.780 . 3.860 2.931 2.849 2.962 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
52 1 56 GLU H 1 56 GLU HB2 3.210 . 4.710 2.049 1.949 2.252 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
53 1 63 GLU H 1 63 GLU QB 3.000 . 4.300 2.334 1.994 2.914 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
54 1 66 GLU H 1 66 GLU HA 2.820 . 3.940 2.867 2.756 2.926 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
55 1 66 GLU H 1 66 GLU QB 2.980 . 4.250 2.131 1.938 2.464 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
56 1 76 GLU HA 1 76 GLU QG 2.640 . 3.580 2.533 2.204 3.052 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
57 1 76 GLU H 1 76 GLU QB 2.850 . 4.000 2.343 2.098 2.493 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
58 1 20 PHE H 1 20 PHE QB 2.690 . 3.670 2.022 1.925 2.232 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
59 1 24 PHE H 1 24 PHE HA 2.670 . 3.630 2.941 2.779 3.000 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
60 1 24 PHE H 1 24 PHE QB 2.580 . 3.460 2.188 2.113 2.288 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
61 1 27 PHE HA 1 27 PHE HB2 2.810 . 3.920 3.027 2.997 3.037 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
62 1 27 PHE HA 1 27 PHE HB3 2.660 . 3.620 2.547 2.421 2.659 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
63 1 27 PHE H 1 27 PHE HA 2.730 . 3.770 2.988 2.962 3.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
64 1 27 PHE H 1 27 PHE HB2 2.580 . 3.470 2.590 2.382 2.774 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
65 1 27 PHE H 1 27 PHE HB3 2.810 . 3.920 3.760 3.643 3.877 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
66 1 74 PHE H 1 74 PHE HA 2.670 . 3.640 2.844 2.766 2.885 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
67 1 74 PHE H 1 74 PHE QB 2.480 . 3.260 2.054 1.944 2.167 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
68 1 77 PHE H 1 77 PHE HA 2.780 . 3.860 2.784 2.752 2.858 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
69 1 30 GLY H 1 30 GLY QA 2.480 . 3.250 2.305 2.234 2.534 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
70 1 34 GLY H 1 34 GLY QA 2.360 . 3.020 2.330 2.234 2.534 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
71 1 42 GLY H 1 42 GLY QA 2.420 . 3.150 2.239 2.234 2.249 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
72 1 49 GLY H 1 49 GLY QA 2.270 . 2.830 2.442 2.283 2.524 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
73 1 26 ILE HA 1 26 ILE HB 2.670 . 3.650 3.029 3.015 3.036 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
74 1 26 ILE HA 1 26 ILE MD 3.020 . 4.340 3.448 1.853 3.703 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
75 1 26 ILE HA 1 26 ILE QG 2.630 . 3.560 2.351 2.194 2.993 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
76 1 26 ILE HA 1 26 ILE MG 2.630 . 3.570 2.407 2.259 2.558 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
77 1 26 ILE H 1 26 ILE HA 2.540 . 3.370 2.899 2.799 2.944 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
78 1 26 ILE HB 1 26 ILE MD 2.810 . 3.930 2.555 2.346 3.196 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
79 1 26 ILE MD 1 26 ILE MG 2.790 . 3.870 1.725 1.488 1.896 0.212 13 0 "[ . 1 . 2 . 3 . 4]" 1
80 1 26 ILE H 1 26 ILE MD 3.070 . 4.440 3.617 2.845 3.732 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
81 1 26 ILE QG 1 26 ILE MG 2.920 . 4.130 2.394 2.250 2.444 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
82 1 26 ILE H 1 26 ILE QG 2.580 . 3.460 2.167 1.856 2.472 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
83 1 36 ILE HA 1 36 ILE HB 2.660 . 3.620 2.437 2.399 2.461 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
84 1 36 ILE HA 1 36 ILE QG 3.000 . 4.290 3.301 3.294 3.307 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
85 1 36 ILE HA 1 36 ILE MG 2.750 . 3.800 2.404 2.298 2.507 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
86 1 36 ILE H 1 36 ILE HA 2.790 . 3.880 2.999 2.979 3.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
87 1 36 ILE HB 1 36 ILE MD 2.880 . 4.060 2.305 2.106 2.427 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
88 1 36 ILE H 1 36 ILE HB 3.100 . 4.500 3.700 3.623 3.784 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
89 1 36 ILE QG 1 36 ILE MG 3.100 . 4.500 2.228 2.088 2.380 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
90 1 36 ILE H 1 36 ILE QG 2.710 . 3.730 1.978 1.856 2.166 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
91 1 36 ILE H 1 36 ILE MG 2.830 . 3.970 2.459 2.147 2.738 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
92 1 4 ILE HA 1 4 ILE HB 2.650 . 3.590 2.411 2.385 2.683 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
93 1 4 ILE HA 1 4 ILE MD 3.750 . 5.790 3.961 3.404 4.141 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
94 1 4 ILE HA 1 4 ILE QG 2.910 . 4.120 3.314 3.257 3.416 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
95 1 4 ILE HA 1 4 ILE MG 2.730 . 3.770 2.424 2.186 2.503 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
96 1 4 ILE H 1 4 ILE HA 2.750 . 3.790 2.956 2.756 3.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
97 1 4 ILE HB 1 4 ILE MD 3.480 . 5.260 2.244 1.927 2.481 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
98 1 4 ILE H 1 4 ILE HB 2.710 . 3.730 3.627 3.517 3.750 0.020 32 0 "[ . 1 . 2 . 3 . 4]" 1
99 1 4 ILE H 1 4 ILE MD 3.810 . 5.920 3.636 3.354 3.901 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
100 1 4 ILE H 1 4 ILE QG 2.570 . 3.440 2.090 1.771 2.386 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
101 1 4 ILE QG 1 4 ILE MG 2.440 . 3.180 2.189 1.922 2.358 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
102 1 4 ILE H 1 4 ILE MG 2.740 . 3.780 2.183 1.829 3.180 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
103 1 61 ILE HA 1 61 ILE MD 3.470 . 5.240 3.796 3.579 3.860 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
104 1 61 ILE HA 1 61 ILE QG 2.870 . 4.040 2.342 2.156 2.431 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
105 1 61 ILE H 1 61 ILE HA 2.910 . 4.120 2.829 2.752 2.913 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
106 1 61 ILE HA 1 61 ILE HB 2.710 . 3.720 3.030 3.018 3.038 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
107 1 61 ILE HB 1 61 ILE MD 2.600 . 3.500 2.150 1.912 2.360 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
108 1 61 ILE H 1 61 ILE HB 2.310 . 2.930 2.334 2.203 2.482 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
109 1 61 ILE H 1 61 ILE MD 3.090 . 4.480 3.005 2.395 3.444 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
110 1 61 ILE QG 1 61 ILE MG 2.810 . 3.920 2.100 1.895 2.333 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
111 1 61 ILE H 1 61 ILE QG 2.570 . 3.440 2.190 1.876 2.548 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
112 1 61 ILE HA 1 61 ILE MG 2.540 . 3.390 2.483 2.303 2.576 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
113 1 61 ILE H 1 61 ILE MG 3.130 . 4.560 3.693 3.657 3.718 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
114 1 17 LYS HA 1 17 LYS QG 3.350 . 5.000 2.144 1.919 2.546 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
115 1 17 LYS QB 1 17 LYS QE 3.450 . 5.200 2.626 1.908 3.532 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
116 1 17 LYS HA 1 17 LYS QB 2.670 . 3.640 2.490 2.333 2.549 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
117 1 17 LYS H 1 17 LYS QB 2.650 . 3.610 2.085 1.919 2.471 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
118 1 17 LYS H 1 17 LYS QG 3.480 . 5.260 3.159 1.876 4.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
119 1 21 LYS HA 1 21 LYS QD 3.210 . 4.720 3.712 2.212 4.207 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
120 1 21 LYS H 1 21 LYS HA 2.670 . 3.630 2.839 2.791 2.909 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
121 1 21 LYS H 1 21 LYS QB 2.520 . 3.340 2.135 2.004 2.177 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
122 1 21 LYS QE 1 21 LYS QG 2.910 . 4.120 2.114 1.934 2.315 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
123 1 21 LYS HA 1 21 LYS QG 2.930 . 4.160 2.368 2.016 2.651 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
124 1 39 LYS HA 1 39 LYS QD 3.850 . 6.000 3.749 2.125 4.437 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
125 1 39 LYS HA 1 39 LYS QG 3.530 . 5.360 2.495 1.948 3.315 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
126 1 39 LYS H 1 39 LYS QB 3.140 . 4.580 2.251 1.954 2.520 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
127 1 39 LYS H 1 39 LYS QG 3.310 . 4.920 2.670 1.896 4.026 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
128 1 43 LYS HA 1 43 LYS QD 3.530 . 5.360 3.414 1.859 4.536 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
129 1 43 LYS HA 1 43 LYS QG 3.330 . 4.960 2.524 1.906 3.338 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
130 1 43 LYS H 1 43 LYS HA 2.810 . 3.920 2.828 2.789 2.906 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
131 1 43 LYS H 1 43 LYS QB 3.500 . 5.300 2.191 1.919 2.565 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
132 1 6 LYS H 1 6 LYS QB 3.190 . 4.680 2.092 1.922 2.432 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
133 1 86 LYS HA 1 86 LYS QD 3.850 . 6.000 3.378 1.849 4.296 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
134 1 86 LYS HA 1 86 LYS QG 3.690 . 5.670 2.448 1.945 3.326 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
135 1 86 LYS H 1 86 LYS HA 2.990 . 4.280 2.799 2.363 3.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
136 1 86 LYS H 1 86 LYS QG 3.850 . 6.000 3.297 1.864 4.247 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
137 1 12 LEU HA 1 12 LEU HB3 2.680 . 3.660 2.489 2.411 2.602 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
138 1 12 LEU HA 1 12 LEU MD2 2.520 . 3.330 2.000 1.841 2.233 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
139 1 12 LEU H 1 12 LEU HA 2.660 . 3.620 2.895 2.808 2.962 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
140 1 12 LEU HB3 1 12 LEU MD2 2.960 . 4.220 2.272 2.150 2.402 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
141 1 12 LEU H 1 12 LEU HB3 2.630 . 3.570 3.538 3.500 3.588 0.018 16 0 "[ . 1 . 2 . 3 . 4]" 1
142 1 12 LEU HA 1 12 LEU HB2 2.770 . 3.830 3.035 3.019 3.038 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
143 1 12 LEU HB2 1 12 LEU MD1 2.740 . 3.780 2.248 2.032 2.510 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
144 1 12 LEU H 1 12 LEU HB2 2.480 . 3.250 2.387 2.201 2.515 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
145 1 12 LEU HB2 1 12 LEU MD2 2.770 . 3.830 3.181 3.155 3.195 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
146 1 12 LEU MD2 1 12 LEU HG 2.440 . 3.190 2.135 2.110 2.154 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
147 1 12 LEU H 1 12 LEU MD2 3.020 . 4.330 3.354 2.840 3.593 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
148 1 12 LEU HA 1 12 LEU MD1 3.520 . 5.340 3.824 3.697 3.904 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
149 1 12 LEU HB3 1 12 LEU MD1 2.600 . 3.500 2.433 2.143 2.642 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
150 1 12 LEU MD1 1 12 LEU HG 2.480 . 3.270 2.126 2.108 2.151 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
151 1 12 LEU H 1 12 LEU MD1 3.080 . 4.460 3.377 3.037 3.678 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
152 1 12 LEU HB3 1 12 LEU HG 2.740 . 3.780 3.027 3.002 3.034 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
153 1 12 LEU H 1 12 LEU HG 2.410 . 3.120 2.057 1.872 2.479 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
154 1 29 LEU H 1 29 LEU HA 2.630 . 3.560 2.719 2.365 2.989 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
155 1 29 LEU H 1 29 LEU QB 2.770 . 3.840 2.493 2.078 3.374 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
156 1 29 LEU HA 1 29 LEU MD1 3.850 . 6.000 3.552 2.204 4.137 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
157 1 29 LEU HA 1 29 LEU HG 3.650 . 5.600 3.201 1.924 4.274 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
158 1 29 LEU H 1 29 LEU HG 3.110 . 4.520 2.942 1.971 4.461 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
159 1 41 LEU HA 1 41 LEU QB 2.660 . 3.620 2.421 2.202 2.550 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
160 1 41 LEU H 1 41 LEU HA 2.710 . 3.730 2.780 2.749 2.871 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
161 1 41 LEU H 1 41 LEU QB 3.200 . 4.700 2.113 1.954 2.519 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
162 1 41 LEU H 1 41 LEU HG 3.580 . 5.460 3.818 1.837 4.535 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
163 1 48 LEU H 1 48 LEU QB 3.400 . 5.100 2.187 2.013 3.133 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
164 1 48 LEU HA 1 48 LEU MD1 3.850 . 6.000 3.401 2.565 3.853 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
165 1 48 LEU H 1 48 LEU MD1 3.770 . 5.840 2.931 2.091 3.632 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
166 1 48 LEU HA 1 48 LEU MD2 3.220 . 4.740 2.896 1.884 3.989 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
167 1 48 LEU H 1 48 LEU MD2 3.850 . 6.000 4.163 3.417 4.539 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
168 1 48 LEU H 1 48 LEU HG 3.600 . 5.500 3.446 1.854 4.593 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
169 1 57 LEU HA 1 57 LEU QD 3.080 . 4.460 2.292 1.736 3.262 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
170 1 57 LEU H 1 57 LEU HA 2.770 . 3.850 2.822 2.756 2.936 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
171 1 57 LEU H 1 57 LEU QB 2.670 . 3.630 2.064 1.925 2.449 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
172 1 57 LEU HA 1 57 LEU HG 3.850 . 6.000 2.546 1.928 3.865 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
173 1 57 LEU H 1 57 LEU HG 3.750 . 5.800 3.483 1.871 4.529 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
174 1 78 LEU HA 1 78 LEU QB 2.670 . 3.650 2.453 2.216 2.541 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
175 1 78 LEU H 1 78 LEU HA 2.600 . 3.500 2.823 2.753 2.965 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
176 1 78 LEU H 1 78 LEU QB 2.650 . 3.600 2.076 1.958 2.419 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
177 1 78 LEU HA 1 78 LEU QD 3.660 . 5.620 2.124 1.779 2.875 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
178 1 78 LEU H 1 78 LEU QD 3.850 . 6.000 2.994 1.858 3.722 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
179 1 78 LEU HA 1 78 LEU HG 3.040 . 4.380 2.796 1.952 3.576 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
180 1 78 LEU H 1 78 LEU HG 2.760 . 3.820 3.191 1.929 3.908 0.088 3 0 "[ . 1 . 2 . 3 . 4]" 1
181 1 1 MET HA 1 1 MET QG 3.680 . 5.660 2.357 1.910 3.337 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
182 1 45 MET HA 1 45 MET QG 2.710 . 3.710 2.282 1.981 2.752 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
183 1 45 MET HA 1 45 MET HB3 2.710 . 3.710 2.644 2.519 2.744 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
184 1 45 MET HA 1 45 MET HB2 2.710 . 3.720 3.001 2.955 3.035 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
185 1 45 MET H 1 45 MET HB2 2.680 . 3.660 2.121 1.992 2.323 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
186 1 45 MET H 1 45 MET ME 3.850 . 6.000 4.877 4.450 5.006 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
187 1 45 MET H 1 45 MET QG 2.690 . 3.690 2.699 2.200 3.037 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
188 1 47 MET HA 1 47 MET QG 2.720 . 3.740 2.149 1.925 2.453 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
189 1 47 MET H 1 47 MET HA 2.560 . 3.430 2.885 2.773 2.941 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
190 1 47 MET H 1 47 MET HB3 3.080 . 4.460 3.374 3.223 3.536 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
191 1 47 MET H 1 47 MET HB2 3.040 . 4.380 2.053 1.940 2.577 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
192 1 47 MET ME 1 47 MET QG 3.270 . 4.830 2.178 1.884 2.410 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
193 1 47 MET H 1 47 MET QG 2.730 . 3.750 2.958 1.901 3.343 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
194 1 60 MET H 1 60 MET QB 2.890 . 4.080 2.159 1.923 2.591 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
195 1 60 MET H 1 60 MET ME 3.850 . 6.000 4.046 3.484 4.891 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
196 1 60 MET HA 1 60 MET QG 3.390 . 5.080 2.180 1.920 2.538 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
197 1 60 MET H 1 60 MET QG 3.270 . 4.840 3.155 1.985 3.938 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
198 1 80 MET HA 1 80 MET HB3 2.730 . 3.750 2.678 2.445 2.824 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
199 1 80 MET HA 1 80 MET HB2 2.850 . 4.000 2.982 2.898 3.036 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
200 1 80 MET HA 1 80 MET QG 2.870 . 4.040 2.096 1.913 2.479 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
201 1 80 MET H 1 80 MET HA 2.660 . 3.620 2.847 2.762 2.918 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
202 1 80 MET H 1 80 MET HB3 2.860 . 4.020 3.437 3.241 3.539 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
203 1 80 MET HA 1 80 MET ME 3.850 . 6.000 4.438 4.157 4.644 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
204 1 80 MET H 1 80 MET QG 2.750 . 3.790 2.734 2.129 3.355 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
205 1 80 MET ME 1 80 MET QG 3.350 . 5.000 2.071 1.888 2.408 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
206 1 81 MET HA 1 81 MET HB2 2.710 . 3.710 2.911 2.860 3.036 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
207 1 81 MET HA 1 81 MET QG 3.350 . 5.000 2.321 1.904 2.770 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
208 1 81 MET H 1 81 MET HA 2.580 . 3.460 2.902 2.830 2.926 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
209 1 81 MET HA 1 81 MET HB3 2.760 . 3.820 2.793 2.458 2.864 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
210 1 81 MET HA 1 81 MET ME 3.850 . 6.000 3.662 2.662 4.439 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
211 1 81 MET H 1 81 MET QG 3.850 . 6.000 3.198 2.222 3.802 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
212 1 85 MET HA 1 85 MET QB 2.650 . 3.610 2.371 2.199 2.549 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
213 1 85 MET HA 1 85 MET QG 2.790 . 3.870 2.632 1.919 3.354 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
214 1 85 MET H 1 85 MET HA 2.670 . 3.630 2.832 2.364 3.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
215 1 85 MET H 1 85 MET QB 2.660 . 3.620 2.510 1.937 3.220 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
216 1 85 MET H 1 85 MET QG 2.610 . 3.530 2.458 1.856 3.136 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
217 1 18 ASN H 1 18 ASN HA 2.650 . 3.610 2.861 2.774 2.932 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
218 1 18 ASN H 1 18 ASN QB 2.620 . 3.540 2.076 1.915 2.397 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
219 1 51 ASN HA 1 51 ASN QB 2.660 . 3.620 2.324 2.199 2.548 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
220 1 51 ASN H 1 51 ASN HA 2.880 . 4.050 2.991 2.969 3.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
221 1 51 ASN H 1 51 ASN QB 2.840 . 3.980 2.754 2.254 3.190 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
222 1 54 PRO HA 1 54 PRO QD 3.830 . 5.950 3.417 3.390 3.432 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
223 1 54 PRO HA 1 54 PRO QG 3.130 . 4.560 3.514 3.509 3.516 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
224 1 11 GLN HA 1 11 GLN HB2 2.800 . 3.900 2.968 2.856 3.038 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
225 1 11 GLN HA 1 11 GLN HB3 2.660 . 3.620 2.681 2.440 2.869 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
226 1 11 GLN HA 1 11 GLN QG 3.000 . 4.300 2.183 1.922 2.540 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
227 1 11 GLN H 1 11 GLN HA 2.720 . 3.740 2.896 2.809 2.997 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
228 1 11 GLN H 1 11 GLN HB3 2.940 . 4.180 3.403 3.158 3.576 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
229 1 16 GLN HA 1 16 GLN QG 2.750 . 3.800 2.416 1.929 3.389 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
230 1 16 GLN H 1 16 GLN HA 2.670 . 3.650 2.913 2.821 2.946 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
231 1 16 GLN H 1 16 GLN QB 2.850 . 4.000 2.100 1.931 2.592 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
232 1 16 GLN H 1 16 GLN QG 2.790 . 3.880 2.869 1.835 3.539 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
233 1 50 GLN H 1 50 GLN HA 2.580 . 3.460 2.827 2.364 3.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
234 1 50 GLN H 1 50 GLN QB 2.910 . 4.120 2.280 1.934 3.381 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
235 1 50 GLN H 1 50 GLN QG 3.580 . 5.460 3.179 1.840 4.189 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
236 1 58 GLN HA 1 58 GLN QG 3.530 . 5.360 2.390 1.910 3.091 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
237 1 58 GLN H 1 58 GLN HA 2.850 . 4.000 2.831 2.756 2.909 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
238 1 58 GLN H 1 58 GLN QB 2.530 . 3.360 2.079 1.923 2.338 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
239 1 58 GLN H 1 58 GLN QG 3.480 . 5.260 3.250 1.995 4.006 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
240 1 46 ARG H 1 46 ARG HA 2.870 . 4.040 2.905 2.836 2.937 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
241 1 46 ARG HA 1 46 ARG QG 2.710 . 3.710 3.002 2.304 3.346 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
242 1 46 ARG H 1 46 ARG QG 2.810 . 3.910 2.051 1.879 2.271 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
243 1 83 ARG HA 1 83 ARG QD 3.850 . 6.000 3.328 1.953 4.098 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
244 1 83 ARG HA 1 83 ARG QG 3.560 . 5.420 2.323 1.917 2.981 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
245 1 37 SER H 1 37 SER QB 2.520 . 3.330 2.094 1.966 2.338 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
246 1 69 SER H 1 69 SER HA 2.910 . 4.120 2.652 2.363 3.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
247 1 69 SER H 1 69 SER QB 3.250 . 4.800 2.822 1.975 3.439 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
248 1 13 THR HA 1 13 THR HB 2.650 . 3.590 2.600 2.395 2.866 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
249 1 13 THR HA 1 13 THR MG 3.100 . 4.500 2.204 1.942 2.473 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
250 1 13 THR H 1 13 THR HA 2.830 . 3.950 2.971 2.873 3.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
251 1 13 THR H 1 13 THR MG 2.970 . 4.240 2.801 1.853 3.501 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
252 1 38 THR HA 1 38 THR HB 2.650 . 3.600 2.556 2.418 2.673 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
253 1 38 THR HA 1 38 THR MG 2.690 . 3.680 2.285 2.072 2.402 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
254 1 38 THR H 1 38 THR HA 2.750 . 3.800 2.798 2.753 2.909 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
255 1 38 THR H 1 38 THR HB 3.220 . 4.740 3.523 3.457 3.550 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
256 1 38 THR H 1 38 THR MG 2.500 . 3.300 2.161 1.848 2.655 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
257 1 53 THR HA 1 53 THR MG 3.400 . 5.090 2.501 1.903 3.198 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
258 1 53 THR H 1 53 THR MG 2.980 . 4.250 2.694 1.803 3.646 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
259 1 71 THR HA 1 71 THR HB 2.650 . 3.600 2.511 2.398 2.686 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
260 1 71 THR H 1 71 THR HA 2.830 . 3.960 2.981 2.961 3.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
261 1 71 THR H 1 71 THR HB 3.540 . 5.380 3.817 3.693 3.909 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
262 1 71 THR HA 1 71 THR MG 3.520 . 5.330 2.275 2.030 2.478 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
263 1 28 VAL HA 1 28 VAL HB 2.660 . 3.620 2.981 2.567 3.038 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
264 1 28 VAL HA 1 28 VAL QG 2.600 . 3.500 2.094 2.007 2.258 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
265 1 28 VAL H 1 28 VAL HA 2.670 . 3.650 2.969 2.908 3.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
266 1 28 VAL H 1 28 VAL HB 2.400 . 3.100 2.440 2.098 3.373 0.273 33 0 "[ . 1 . 2 . 3 . 4]" 1
267 1 28 VAL H 1 28 VAL QG 2.630 . 3.570 2.294 1.756 2.650 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
268 1 44 VAL HA 1 44 VAL HB 2.670 . 3.630 3.013 2.991 3.024 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
269 1 44 VAL HA 1 44 VAL MG2 2.630 . 3.560 2.190 2.017 2.283 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
270 1 44 VAL HA 1 44 VAL MG1 2.640 . 3.580 2.559 2.459 2.645 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
271 1 44 VAL H 1 44 VAL HA 2.540 . 3.370 2.898 2.848 2.944 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
272 1 44 VAL H 1 44 VAL HB 2.540 . 3.390 2.135 2.049 2.190 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
273 1 44 VAL H 1 44 VAL MG2 2.590 . 3.480 2.554 2.383 2.813 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
274 1 44 VAL H 1 44 VAL MG1 3.020 . 4.340 3.617 3.550 3.647 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
275 1 64 VAL HA 1 64 VAL HB 2.650 . 3.590 2.870 2.540 3.038 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
276 1 64 VAL HA 1 64 VAL QG 2.670 . 3.630 2.109 1.996 2.271 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
277 1 64 VAL H 1 64 VAL HA 2.730 . 3.750 2.959 2.938 3.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
278 1 64 VAL H 1 64 VAL HB 2.390 . 3.080 2.351 2.172 2.822 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
279 1 64 VAL H 1 64 VAL QG 2.580 . 3.460 2.327 1.905 2.576 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
280 1 72 VAL HA 1 72 VAL HB 2.670 . 3.630 2.630 2.609 2.655 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
281 1 72 VAL HA 1 72 VAL MG2 2.960 . 4.210 3.170 3.164 3.176 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
282 1 72 VAL HA 1 72 VAL MG1 2.700 . 3.700 2.223 2.153 2.245 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
283 1 72 VAL H 1 72 VAL HB 2.710 . 3.720 3.559 3.529 3.583 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
284 1 72 VAL H 1 72 VAL MG2 2.650 . 3.590 1.790 1.758 1.826 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
285 1 72 VAL H 1 72 VAL MG1 2.620 . 3.540 3.004 2.985 3.025 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
286 1 79 VAL HA 1 79 VAL MG1 3.000 . 4.300 2.359 2.239 2.460 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
287 1 79 VAL HA 1 79 VAL MG2 3.170 . 4.640 2.368 2.157 2.462 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
288 1 79 VAL HB 1 79 VAL MG1 2.450 . 3.200 2.136 2.109 2.151 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
289 1 79 VAL MG1 1 79 VAL MG2 2.520 . 3.350 2.014 1.843 2.079 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
290 1 82 VAL HA 1 82 VAL HB 2.650 . 3.600 2.592 2.415 3.038 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
291 1 82 VAL H 1 82 VAL HA 2.670 . 3.650 2.843 2.783 2.927 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
292 1 82 VAL H 1 82 VAL HB 2.870 . 4.040 3.142 2.095 3.549 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
293 1 9 VAL HA 1 9 VAL HB 2.670 . 3.630 3.033 3.020 3.038 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
294 1 9 VAL H 1 9 VAL HA 2.650 . 3.590 2.901 2.807 2.948 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
295 1 9 VAL H 1 9 VAL HB 2.420 . 3.130 2.404 2.180 2.591 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
296 1 9 VAL H 1 9 VAL QG 3.410 . 5.120 2.129 1.842 2.510 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
297 1 5 TYR H 1 5 TYR QB 2.790 . 3.890 2.395 2.212 2.597 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
298 1 20 PHE HA 1 20 PHE QD 3.600 . 5.500 1.988 1.857 2.374 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
299 1 24 PHE HA 1 24 PHE QD 3.850 . 6.000 2.942 2.081 3.169 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
300 1 27 PHE HA 1 27 PHE QE 3.850 . 6.000 4.469 4.225 4.615 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
301 1 74 PHE HA 1 74 PHE QD 3.540 . 5.380 2.327 1.864 3.024 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
302 1 77 PHE HA 1 77 PHE QD 3.700 . 5.700 2.113 1.857 2.695 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
303 1 77 PHE QB 1 77 PHE QE 3.850 . 6.000 3.986 3.963 4.007 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
304 1 5 TYR HA 1 5 TYR QD 3.750 . 5.790 2.566 1.895 2.878 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
305 1 5 TYR H 1 5 TYR QE 3.850 . 6.000 3.989 3.748 4.306 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
306 1 5 TYR H 1 5 TYR QD 3.120 . 4.540 2.262 1.907 2.790 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
307 1 11 GLN H 1 11 GLN HB2 2.470 . 3.240 2.125 1.942 2.476 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
308 1 13 THR H 1 13 THR HB 3.040 . 4.370 3.524 3.163 3.829 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
309 1 13 THR H 1 13 THR HG1 3.450 . 5.200 2.795 1.895 3.437 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
310 1 18 ASN H 1 18 ASN HD22 3.610 . 5.520 4.661 3.628 5.576 0.056 25 0 "[ . 1 . 2 . 3 . 4]" 1
311 1 18 ASN H 1 18 ASN HD21 3.740 . 5.780 3.734 2.313 4.564 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
312 1 20 PHE H 1 20 PHE QD 2.850 . 4.000 3.364 2.891 3.568 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
313 1 20 PHE H 1 20 PHE HA 3.000 . 4.300 2.883 2.775 2.931 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
314 1 21 LYS H 1 21 LYS QG 3.120 . 4.540 3.908 3.785 3.992 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
315 1 21 LYS H 1 21 LYS QD 3.320 . 4.940 4.187 3.674 4.382 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
316 1 24 PHE H 1 24 PHE QD 3.140 . 4.580 4.050 3.847 4.141 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
317 1 26 ILE H 1 26 ILE HB 2.420 . 3.130 2.328 2.167 2.482 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
318 1 26 ILE H 1 26 ILE MG 3.350 . 5.000 3.692 3.638 3.720 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
319 1 31 ALA H 1 31 ALA MB 2.560 . 3.420 2.674 1.937 2.881 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
320 1 32 GLU H 1 32 GLU QB 3.180 . 4.660 2.416 1.927 3.372 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
321 1 33 ASP H 1 33 ASP HA 2.610 . 3.520 2.874 2.364 2.998 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
322 1 36 ILE H 1 36 ILE MD 3.690 . 5.670 3.685 3.541 3.865 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
323 1 37 SER H 1 37 SER HA 2.610 . 3.530 2.942 2.905 2.964 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
324 1 39 LYS H 1 39 LYS QE 3.750 . 5.800 4.209 2.100 5.164 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
325 1 40 GLU H 1 40 GLU HA 2.610 . 3.530 2.959 2.928 2.998 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
326 1 43 LYS H 1 43 LYS QD 2.830 . 3.960 3.023 1.861 3.524 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
327 1 43 LYS H 1 43 LYS QG 3.250 . 4.800 2.621 1.849 3.896 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
328 1 47 MET H 1 47 MET ME 3.850 . 6.000 4.584 3.845 4.998 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
329 1 48 LEU H 1 48 LEU HA 2.610 . 3.520 2.969 2.931 3.002 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
330 1 51 ASN H 1 51 ASN HD22 3.550 . 5.400 4.485 3.199 5.398 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
331 1 53 THR H 1 53 THR HA 2.610 . 3.530 2.958 2.855 3.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
332 1 56 GLU H 1 56 GLU HB3 2.860 . 4.020 3.347 3.165 3.543 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
333 1 57 LEU H 1 57 LEU QD 3.540 . 5.370 2.673 1.768 3.310 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
334 1 63 GLU H 1 63 GLU HA 2.610 . 3.530 2.957 2.857 3.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
335 1 63 GLU H 1 63 GLU QG 2.830 . 3.950 2.583 1.854 3.595 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
336 1 67 ASP H 1 67 ASP HA 2.610 . 3.520 2.950 2.775 3.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
337 1 70 GLY H 1 70 GLY QA 2.630 . 3.560 2.294 2.236 2.406 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
338 1 72 VAL H 1 72 VAL HA 2.610 . 3.530 2.991 2.982 2.996 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
339 1 73 ASP H 1 73 ASP HA 2.620 . 3.540 2.997 2.965 3.002 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
340 1 74 PHE H 1 74 PHE QD 3.140 . 4.580 3.864 3.433 4.095 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
341 1 76 GLU H 1 76 GLU QG 2.480 . 3.250 2.176 1.865 2.748 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
342 1 76 GLU H 1 76 GLU HA 2.610 . 3.530 2.926 2.878 2.952 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
343 1 77 PHE H 1 77 PHE QB 2.400 . 3.110 2.174 2.117 2.199 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
344 1 77 PHE H 1 77 PHE QD 3.200 . 4.700 4.112 3.981 4.143 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
345 1 79 VAL H 1 79 VAL MG1 3.440 . 5.170 3.701 3.682 3.712 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
346 1 79 VAL H 1 79 VAL HB 2.580 . 3.460 2.435 2.269 2.564 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
347 1 79 VAL H 1 79 VAL MG2 2.840 . 3.980 1.970 1.836 2.254 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
348 1 80 MET H 1 80 MET HB2 2.540 . 3.370 2.115 1.953 2.460 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
349 1 81 MET H 1 81 MET HB2 2.550 . 3.400 1.998 1.937 2.420 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
350 1 82 VAL H 1 82 VAL QG 2.830 . 3.970 1.977 1.681 2.619 0.009 32 0 "[ . 1 . 2 . 3 . 4]" 1
351 1 83 ARG H 1 83 ARG HA 2.610 . 3.520 2.928 2.838 2.990 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
352 1 84 CYS H 1 84 CYS QB 2.640 . 3.580 2.168 1.943 2.419 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
353 1 84 CYS H 1 84 CYS HA 2.610 . 3.530 2.932 2.792 3.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
354 1 11 GLN HB2 1 11 GLN HE21 3.140 . 4.580 3.567 1.992 4.504 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
355 1 11 GLN HB2 1 11 GLN HE22 3.440 . 5.170 4.214 3.286 5.142 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
356 1 18 ASN HA 1 18 ASN HD21 3.850 . 6.000 4.156 1.868 4.717 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
357 1 18 ASN HA 1 18 ASN HD22 3.850 . 6.000 4.443 3.337 5.396 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
358 1 18 ASN QB 1 18 ASN HD22 3.100 . 4.500 3.296 3.265 3.479 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
359 1 50 GLN HA 1 50 GLN HE21 3.720 . 5.740 3.951 1.906 4.916 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
360 1 50 GLN HA 1 50 GLN HE22 3.790 . 5.880 4.438 3.092 5.491 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
361 1 51 ASN QB 1 51 ASN HD22 3.230 . 4.750 3.325 3.273 3.461 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
362 1 58 GLN HA 1 58 GLN HE21 3.600 . 5.500 2.898 1.958 4.501 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
363 1 58 GLN HA 1 58 GLN HE22 3.540 . 5.370 3.782 2.826 4.743 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 297
_Distance_constraint_stats_list.Viol_count 103
_Distance_constraint_stats_list.Viol_total 201.663
_Distance_constraint_stats_list.Viol_max 0.223
_Distance_constraint_stats_list.Viol_rms 0.0068
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0004
_Distance_constraint_stats_list.Viol_average_violations_only 0.0489
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 2 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 3 ASP 0.113 0.041 34 0 "[ . 1 . 2 . 3 . 4]"
1 4 ILE 0.113 0.041 34 0 "[ . 1 . 2 . 3 . 4]"
1 5 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 6 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 7 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 8 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 9 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 10 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 11 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 12 LEU 0.028 0.010 38 0 "[ . 1 . 2 . 3 . 4]"
1 13 THR 0.028 0.010 38 0 "[ . 1 . 2 . 3 . 4]"
1 14 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 15 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 16 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 17 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 18 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 19 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 20 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 21 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 22 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 23 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 24 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 25 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 26 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 27 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 28 VAL 2.583 0.213 25 0 "[ . 1 . 2 . 3 . 4]"
1 29 LEU 2.845 0.213 25 0 "[ . 1 . 2 . 3 . 4]"
1 30 GLY 0.262 0.092 9 0 "[ . 1 . 2 . 3 . 4]"
1 31 ALA 0.926 0.223 30 0 "[ . 1 . 2 . 3 . 4]"
1 32 GLU 1.189 0.223 30 0 "[ . 1 . 2 . 3 . 4]"
1 33 ASP 0.452 0.130 39 0 "[ . 1 . 2 . 3 . 4]"
1 34 GLY 0.189 0.130 39 0 "[ . 1 . 2 . 3 . 4]"
1 35 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 36 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 37 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 38 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 39 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 40 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 41 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 42 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 43 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 44 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 45 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 46 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 47 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 48 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 49 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 50 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 51 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 52 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 53 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 54 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 55 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 56 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 57 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 58 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 59 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 60 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 61 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 62 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 63 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 64 VAL 0.600 0.069 22 0 "[ . 1 . 2 . 3 . 4]"
1 65 ASP 0.600 0.069 22 0 "[ . 1 . 2 . 3 . 4]"
1 66 GLU 0.019 0.019 25 0 "[ . 1 . 2 . 3 . 4]"
1 67 ASP 0.019 0.019 25 0 "[ . 1 . 2 . 3 . 4]"
1 68 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 69 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 70 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 71 THR 0.043 0.018 20 0 "[ . 1 . 2 . 3 . 4]"
1 72 VAL 0.043 0.018 20 0 "[ . 1 . 2 . 3 . 4]"
1 73 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 74 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 75 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 76 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 77 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 78 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 79 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 80 MET 0.007 0.007 24 0 "[ . 1 . 2 . 3 . 4]"
1 81 MET 0.007 0.007 24 0 "[ . 1 . 2 . 3 . 4]"
1 82 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 83 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 84 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 85 MET 0.008 0.008 34 0 "[ . 1 . 2 . 3 . 4]"
1 86 LYS 0.008 0.008 34 0 "[ . 1 . 2 . 3 . 4]"
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 22 ALA MB 1 23 ALA H 3.210 . 4.710 2.787 1.892 3.225 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
2 1 23 ALA MB 1 24 PHE H 2.750 . 3.790 2.921 2.151 3.175 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
3 1 31 ALA HA 1 32 GLU H 2.360 . 3.030 2.596 2.211 3.116 0.086 39 0 "[ . 1 . 2 . 3 . 4]" 2
4 1 31 ALA MB 1 32 GLU H 3.520 . 5.340 2.726 1.825 3.736 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
5 1 7 ALA MB 1 8 ALA H 3.080 . 4.460 2.837 2.477 3.242 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
6 1 6 LYS H 1 7 ALA MB 3.540 . 5.370 4.318 4.128 4.477 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
7 1 8 ALA MB 1 9 VAL H 3.330 . 4.960 2.394 2.030 2.793 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
8 1 35 CYS HA 1 36 ILE H 2.970 . 4.240 2.350 2.215 2.596 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
9 1 35 CYS QB 1 36 ILE H 3.230 . 4.750 2.843 2.263 3.353 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
10 1 25 ASP HA 1 26 ILE H 3.120 . 4.540 3.449 3.393 3.531 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
11 1 25 ASP QB 1 26 ILE H 3.050 . 4.400 3.032 2.697 3.230 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
12 1 3 ASP HA 1 4 ILE H 2.620 . 3.540 2.536 2.209 3.581 0.041 34 0 "[ . 1 . 2 . 3 . 4]" 2
13 1 62 ASP HA 1 63 GLU H 3.020 . 4.330 3.525 3.336 3.597 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
14 1 61 ILE MG 1 62 ASP HA 3.720 . 5.740 3.423 3.055 3.835 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
15 1 62 ASP QB 1 63 GLU H 2.950 . 4.200 2.675 1.930 3.739 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
16 1 65 ASP HA 1 66 GLU H 2.460 . 3.210 2.660 2.310 3.079 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
17 1 64 VAL QG 1 65 ASP HA 3.640 . 5.580 3.300 2.772 3.669 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
18 1 73 ASP HA 1 74 PHE H 2.640 . 3.580 2.636 2.454 2.805 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
19 1 73 ASP QB 1 74 PHE H 2.370 . 3.040 2.424 2.064 2.703 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
20 1 75 ASP HA 1 76 GLU H 3.270 . 4.830 3.572 3.549 3.599 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
21 1 9 VAL QG 1 10 GLU HA 3.850 . 6.000 3.668 3.163 4.000 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
22 1 14 GLU HA 1 15 GLU H 3.350 . 5.000 3.556 3.436 3.595 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
23 1 15 GLU HA 1 16 GLN H 3.230 . 4.750 3.554 3.491 3.596 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
24 1 15 GLU QB 1 16 GLN H 3.480 . 5.260 2.677 2.192 3.574 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
25 1 19 GLU HA 1 20 PHE H 3.330 . 4.960 3.572 3.496 3.594 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
26 1 19 GLU QB 1 20 PHE H 3.290 . 4.870 2.470 2.026 3.526 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
27 1 32 GLU HA 1 33 ASP H 2.670 . 3.630 3.426 2.631 3.595 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
28 1 32 GLU QB 1 33 ASP H 3.100 . 4.500 2.629 1.869 4.057 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
29 1 32 GLU QG 1 33 ASP H 3.680 . 5.660 3.926 2.044 4.583 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
30 1 56 GLU HA 1 57 LEU H 3.230 . 4.750 3.544 3.373 3.594 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
31 1 56 GLU HB3 1 57 LEU H 3.750 . 5.790 3.188 2.579 3.782 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
32 1 56 GLU HB2 1 57 LEU H 3.520 . 5.340 2.902 2.265 3.630 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
33 1 63 GLU HA 1 64 VAL H 3.200 . 4.700 3.465 3.272 3.583 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
34 1 63 GLU QB 1 64 VAL QG 3.850 . 6.000 3.652 2.752 3.980 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
35 1 63 GLU QB 1 64 VAL H 3.790 . 5.880 3.157 2.476 3.886 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
36 1 66 GLU HA 1 67 ASP H 3.160 . 4.620 3.388 2.684 3.594 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
37 1 66 GLU QB 1 67 ASP H 3.390 . 5.080 3.021 2.182 4.086 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
38 1 76 GLU HA 1 77 PHE H 2.970 . 4.240 3.592 3.581 3.598 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
39 1 20 PHE QB 1 21 LYS H 2.790 . 3.890 2.677 2.499 2.985 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
40 1 24 PHE HA 1 25 ASP H 3.060 . 4.420 3.580 3.557 3.594 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
41 1 24 PHE QB 1 25 ASP H 2.800 . 3.900 2.363 1.853 2.622 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
42 1 26 ILE MG 1 27 PHE HA 3.550 . 5.400 3.922 3.574 4.212 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
43 1 74 PHE QB 1 75 ASP H 2.940 . 4.170 2.972 2.714 3.179 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
44 1 77 PHE HA 1 78 LEU H 3.250 . 4.790 3.572 3.411 3.594 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
45 1 30 GLY QA 1 31 ALA H 2.370 . 3.040 2.305 2.153 2.739 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
46 1 34 GLY QA 1 35 CYS H 2.400 . 3.090 2.698 2.518 2.774 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
47 1 42 GLY QA 1 43 LYS H 2.650 . 3.610 2.516 2.357 2.687 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
48 1 49 GLY QA 1 50 GLN H 2.580 . 3.460 2.649 2.353 2.909 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
49 1 70 GLY QA 1 71 THR H 3.060 . 4.420 2.842 2.611 2.940 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
50 1 26 ILE HA 1 27 PHE H 2.950 . 4.200 3.364 3.181 3.566 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
51 1 26 ILE HB 1 27 PHE H 2.760 . 3.820 3.344 2.580 3.780 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
52 1 26 ILE MG 1 27 PHE H 3.520 . 5.340 3.873 3.348 4.133 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
53 1 36 ILE HB 1 37 SER H 2.570 . 3.440 2.597 2.406 2.715 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
54 1 4 ILE HA 1 5 TYR H 3.050 . 4.400 3.503 3.434 3.570 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
55 1 4 ILE HB 1 5 TYR H 3.130 . 4.560 3.987 2.319 4.218 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
56 1 4 ILE QG 1 5 TYR H 2.910 . 4.120 2.081 1.790 2.376 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
57 1 4 ILE MG 1 5 TYR H 3.080 . 4.460 3.700 3.575 3.748 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
58 1 61 ILE HA 1 62 ASP H 3.330 . 4.960 3.543 3.420 3.590 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
59 1 61 ILE HB 1 62 ASP H 2.510 . 3.320 2.663 1.974 3.230 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
60 1 61 ILE MG 1 62 ASP H 3.120 . 4.540 3.313 2.555 3.785 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
61 1 17 LYS HA 1 18 ASN H 3.540 . 5.370 3.542 3.447 3.592 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
62 1 17 LYS QB 1 18 ASN H 2.880 . 4.050 2.663 2.324 3.060 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
63 1 21 LYS HA 1 22 ALA H 3.060 . 4.420 3.569 3.512 3.592 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
64 1 21 LYS QB 1 22 ALA H 2.930 . 4.160 2.434 1.995 2.781 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
65 1 39 LYS HA 1 40 GLU H 3.610 . 5.520 3.451 3.272 3.564 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
66 1 43 LYS HA 1 44 VAL H 3.270 . 4.840 3.524 3.452 3.577 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
67 1 43 LYS QB 1 44 VAL H 3.850 . 6.000 2.898 2.455 3.599 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
68 1 6 LYS QB 1 7 ALA H 3.160 . 4.620 2.745 2.279 3.631 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
69 1 12 LEU HA 1 13 THR H 2.290 . 2.880 2.319 2.208 2.701 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
70 1 12 LEU HB3 1 13 THR H 2.840 . 3.980 3.049 2.178 3.616 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
71 1 12 LEU MD2 1 13 THR H 3.120 . 4.540 3.462 3.076 3.764 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
72 1 29 LEU HA 1 30 GLY H 2.850 . 4.000 2.734 2.189 3.587 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
73 1 28 VAL QG 1 29 LEU HA 3.770 . 5.830 4.227 3.525 4.407 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
74 1 41 LEU QB 1 42 GLY H 3.620 . 5.540 2.749 2.341 3.645 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
75 1 57 LEU HA 1 58 GLN H 3.330 . 4.950 3.574 3.456 3.593 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
76 1 57 LEU QB 1 58 GLN H 2.830 . 3.960 2.386 1.907 3.051 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
77 1 78 LEU HA 1 79 VAL H 3.000 . 4.290 3.583 3.553 3.592 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
78 1 78 LEU QB 1 79 VAL H 2.920 . 4.140 2.512 2.310 2.782 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
79 1 44 VAL MG1 1 45 MET HA 3.850 . 6.000 3.291 2.990 3.555 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
80 1 45 MET HB3 1 46 ARG H 2.860 . 4.020 3.327 2.928 3.901 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
81 1 45 MET HB2 1 46 ARG H 2.670 . 3.630 2.703 2.325 3.106 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
82 1 47 MET HA 1 48 LEU H 2.970 . 4.240 3.511 3.371 3.565 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
83 1 47 MET HB3 1 48 LEU H 3.350 . 5.000 3.427 2.956 3.993 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
84 1 47 MET HB2 1 48 LEU H 3.350 . 5.000 3.059 2.535 3.444 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
85 1 60 MET HA 1 61 ILE H 3.530 . 5.360 3.570 3.516 3.593 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
86 1 60 MET QB 1 61 ILE H 2.910 . 4.120 2.471 2.066 2.791 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
87 1 79 VAL MG1 1 80 MET HA 3.850 . 6.000 3.566 3.179 3.922 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
88 1 85 MET HA 1 86 LYS H 2.640 . 3.580 2.819 2.211 3.588 0.008 34 0 "[ . 1 . 2 . 3 . 4]" 2
89 1 18 ASN QB 1 19 GLU H 2.880 . 4.060 2.739 2.291 3.617 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
90 1 51 ASN HA 1 52 PRO QD 2.370 . 3.040 2.228 1.986 2.427 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
91 1 52 PRO QB 1 53 THR H 3.150 . 4.600 2.339 1.858 3.274 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
92 1 51 ASN H 1 52 PRO QD 2.850 . 4.000 2.685 2.137 3.401 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
93 1 54 PRO HA 1 55 GLU H 3.240 . 4.780 3.527 3.397 3.595 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
94 1 54 PRO QB 1 55 GLU H 3.140 . 4.580 3.187 2.661 3.602 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
95 1 54 PRO QD 1 55 GLU H 3.390 . 5.080 2.543 2.419 2.749 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
96 1 53 THR HA 1 54 PRO QD 2.980 . 4.250 2.067 1.956 2.235 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
97 1 53 THR HB 1 54 PRO QD 3.090 . 4.480 2.794 1.876 3.995 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
98 1 53 THR MG 1 54 PRO QD 3.850 . 6.000 2.778 1.782 3.681 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
99 1 54 PRO QG 1 55 GLU H 3.440 . 5.170 2.435 1.863 3.054 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
100 1 11 GLN HA 1 12 LEU H 2.870 . 4.040 3.522 3.410 3.589 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
101 1 16 GLN QB 1 17 LYS H 2.970 . 4.240 2.717 2.180 3.651 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
102 1 50 GLN HA 1 51 ASN H 2.310 . 2.920 2.275 2.210 2.748 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
103 1 58 GLN QB 1 59 GLU H 2.770 . 3.850 2.612 2.013 3.240 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
104 1 58 GLN QG 1 59 GLU H 3.850 . 6.000 4.142 2.575 4.560 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
105 1 37 SER HA 1 38 THR H 2.350 . 3.000 2.261 2.210 2.498 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
106 1 37 SER QB 1 38 THR H 3.080 . 4.460 3.492 2.817 3.863 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
107 1 69 SER HA 1 70 GLY H 3.310 . 4.910 3.077 2.442 3.591 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
108 1 13 THR HA 1 14 GLU QB 3.850 . 6.000 4.278 4.097 4.541 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
109 1 13 THR HA 1 14 GLU H 2.480 . 3.250 2.476 2.298 2.752 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
110 1 12 LEU HA 1 13 THR MG 3.850 . 6.000 3.848 3.123 4.856 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
111 1 38 THR HA 1 39 LYS H 3.130 . 4.560 3.532 3.436 3.590 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
112 1 37 SER HA 1 38 THR MG 3.360 . 5.020 3.823 3.482 4.162 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
113 1 71 THR HA 1 72 VAL MG2 3.410 . 5.120 3.343 3.256 3.400 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
114 1 71 THR HB 1 72 VAL H 2.580 . 3.460 3.335 3.065 3.478 0.018 20 0 "[ . 1 . 2 . 3 . 4]" 2
115 1 71 THR MG 1 72 VAL H 3.850 . 6.000 3.996 3.616 4.243 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
116 1 28 VAL HA 1 29 LEU H 2.420 . 3.150 3.112 2.276 3.363 0.213 25 0 "[ . 1 . 2 . 3 . 4]" 2
117 1 28 VAL HB 1 29 LEU H 2.810 . 3.930 3.797 1.929 4.070 0.140 7 0 "[ . 1 . 2 . 3 . 4]" 2
118 1 44 VAL HA 1 45 MET H 2.890 . 4.080 3.535 3.447 3.583 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
119 1 44 VAL MG2 1 45 MET H 3.420 . 5.140 4.086 3.976 4.205 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
120 1 44 VAL MG1 1 45 MET H 3.150 . 4.600 3.216 2.747 3.583 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
121 1 64 VAL HA 1 65 ASP H 2.910 . 4.120 3.564 3.531 3.586 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
122 1 64 VAL HB 1 65 ASP H 2.670 . 3.630 2.927 2.307 3.699 0.069 22 0 "[ . 1 . 2 . 3 . 4]" 2
123 1 64 VAL QG 1 65 ASP H 2.950 . 4.200 2.635 1.752 3.137 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
124 1 63 GLU H 1 64 VAL QG 3.630 . 5.560 3.619 3.265 4.038 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
125 1 79 VAL HA 1 80 MET H 3.370 . 5.040 3.570 3.537 3.591 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
126 1 79 VAL HB 1 80 MET H 2.450 . 3.200 2.446 2.090 2.698 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
127 1 79 VAL MG1 1 80 MET H 3.210 . 4.710 3.354 2.661 3.738 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
128 1 82 VAL HB 1 83 ARG H 3.770 . 5.840 3.794 2.555 4.296 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
129 1 82 VAL QG 1 83 ARG HA 3.850 . 6.000 3.340 3.052 3.709 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
130 1 82 VAL QG 1 83 ARG H 3.480 . 5.260 2.312 1.848 3.406 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
131 1 8 ALA MB 1 9 VAL HA 3.850 . 6.000 3.810 3.673 3.920 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
132 1 9 VAL HA 1 10 GLU H 2.960 . 4.210 3.539 3.446 3.590 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
133 1 9 VAL HB 1 10 GLU H 2.680 . 3.660 2.673 2.225 3.098 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
134 1 5 TYR HA 1 6 LYS H 2.960 . 4.210 3.517 3.415 3.593 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
135 1 5 TYR QB 1 6 LYS H 3.080 . 4.460 2.711 1.959 3.102 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
136 1 24 PHE QD 1 25 ASP HA 3.850 . 6.000 2.883 2.380 4.052 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
137 1 26 ILE HA 1 27 PHE QE 3.850 . 6.000 5.237 4.845 5.353 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
138 1 26 ILE MG 1 27 PHE QE 3.850 . 6.000 2.432 1.810 3.298 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
139 1 4 ILE MD 1 5 TYR QD 3.850 . 6.000 3.340 1.814 4.129 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
140 1 4 ILE MD 1 5 TYR QE 3.850 . 6.000 2.754 1.845 3.657 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
141 1 4 ILE MG 1 5 TYR QD 3.850 . 6.000 4.328 4.119 4.467 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
142 1 4 ILE MG 1 5 TYR QE 3.850 . 6.000 4.279 3.773 4.458 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
143 1 77 PHE QD 1 78 LEU HA 3.850 . 6.000 4.152 3.060 4.574 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
144 1 3 ASP H 1 4 ILE H 3.340 . 4.980 4.011 2.007 4.702 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
145 1 2 ASP HA 1 3 ASP H 2.930 . 4.160 2.683 2.209 3.592 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
146 1 4 ILE H 1 5 TYR H 2.670 . 3.650 2.246 1.872 2.912 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
147 1 5 TYR H 1 6 LYS H 2.660 . 3.620 2.619 2.387 3.140 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
148 1 5 TYR H 1 6 LYS QB 3.830 . 5.960 4.264 3.958 5.071 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
149 1 4 ILE MD 1 5 TYR H 3.850 . 6.000 3.615 2.388 4.104 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
150 1 6 LYS H 1 7 ALA H 2.700 . 3.700 2.816 2.559 2.958 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
151 1 5 TYR QD 1 6 LYS H 3.850 . 6.000 4.074 3.417 4.370 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
152 1 7 ALA H 1 8 ALA H 2.620 . 3.540 2.571 2.430 2.793 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
153 1 7 ALA H 1 8 ALA MB 3.690 . 5.680 4.075 3.917 4.292 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
154 1 6 LYS QD 1 7 ALA H 3.850 . 6.000 4.612 2.532 5.246 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
155 1 8 ALA H 1 9 VAL HB 3.830 . 5.950 4.952 4.414 5.278 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
156 1 8 ALA H 1 9 VAL H 2.670 . 3.630 2.850 2.469 3.059 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
157 1 9 VAL H 1 10 GLU H 2.620 . 3.540 2.555 2.342 2.860 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
158 1 10 GLU H 1 11 GLN H 2.610 . 3.520 2.700 2.418 2.961 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
159 1 11 GLN H 1 12 LEU HG 3.170 . 4.630 3.895 3.066 4.320 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
160 1 12 LEU H 1 13 THR H 3.270 . 4.830 4.625 4.505 4.696 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
161 1 11 GLN HB3 1 12 LEU H 3.120 . 4.540 3.456 2.871 4.170 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
162 1 11 GLN QG 1 12 LEU H 3.710 . 5.720 4.332 3.925 4.679 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
163 1 12 LEU HB2 1 13 THR H 2.990 . 4.280 3.991 3.096 4.290 0.010 38 0 "[ . 1 . 2 . 3 . 4]" 2
164 1 13 THR MG 1 14 GLU H 3.430 . 5.160 3.523 2.550 4.132 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
165 1 14 GLU H 1 15 GLU H 2.740 . 3.780 2.839 2.543 3.127 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
166 1 13 THR HB 1 14 GLU H 2.460 . 3.220 2.599 2.002 3.151 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
167 1 15 GLU H 1 16 GLN H 2.650 . 3.600 2.743 2.433 3.050 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
168 1 16 GLN H 1 17 LYS H 2.650 . 3.600 2.547 2.348 2.920 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
169 1 16 GLN QG 1 17 LYS H 3.370 . 5.040 3.891 1.913 4.493 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
170 1 17 LYS H 1 18 ASN H 2.730 . 3.750 2.700 2.262 3.015 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
171 1 17 LYS H 1 18 ASN HA 3.790 . 5.870 5.340 4.946 5.602 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
172 1 18 ASN H 1 19 GLU H 2.630 . 3.560 2.691 2.399 2.972 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
173 1 18 ASN H 1 19 GLU QB 3.650 . 5.590 4.286 4.021 4.562 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
174 1 18 ASN HA 1 19 GLU H 3.060 . 4.410 3.547 3.473 3.592 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
175 1 19 GLU H 1 20 PHE H 2.440 . 3.190 2.779 2.467 3.058 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
176 1 19 GLU QG 1 20 PHE H 3.330 . 4.960 3.901 1.853 4.423 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
177 1 21 LYS H 1 22 ALA MB 3.560 . 5.420 4.307 4.115 4.468 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
178 1 21 LYS H 1 22 ALA H 2.540 . 3.370 2.795 2.597 3.092 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
179 1 20 PHE HA 1 21 LYS H 2.970 . 4.240 3.554 3.467 3.576 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
180 1 22 ALA H 1 23 ALA H 2.580 . 3.460 2.689 2.495 3.238 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
181 1 21 LYS QG 1 22 ALA H 3.150 . 4.590 3.659 3.080 4.102 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
182 1 23 ALA H 1 24 PHE QB 3.540 . 5.380 3.927 3.578 4.672 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
183 1 23 ALA H 1 24 PHE H 2.500 . 3.290 2.306 1.895 3.142 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
184 1 23 ALA HA 1 24 PHE H 2.930 . 4.160 3.447 3.348 3.594 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
185 1 24 PHE H 1 25 ASP H 2.620 . 3.540 2.473 2.129 3.122 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
186 1 24 PHE QD 1 25 ASP H 3.210 . 4.710 2.846 2.357 3.393 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
187 1 25 ASP H 1 26 ILE H 2.690 . 3.670 2.707 2.639 2.913 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
188 1 24 PHE QE 1 25 ASP H 3.820 . 5.940 5.065 4.644 5.320 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
189 1 25 ASP H 1 26 ILE HB 3.620 . 5.540 4.823 4.604 5.047 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
190 1 26 ILE H 1 27 PHE H 2.620 . 3.540 2.658 2.490 2.876 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
191 1 27 PHE H 1 28 VAL H 2.460 . 3.210 2.504 1.919 3.084 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
192 1 27 PHE H 1 28 VAL HA 3.420 . 5.130 4.465 4.218 4.669 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
193 1 27 PHE HB2 1 28 VAL H 3.100 . 4.500 4.117 3.745 4.454 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
194 1 28 VAL H 1 29 LEU H 2.810 . 3.920 2.693 2.071 4.033 0.113 11 0 "[ . 1 . 2 . 3 . 4]" 2
195 1 27 PHE HA 1 28 VAL H 2.900 . 4.090 2.935 2.596 3.186 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
196 1 27 PHE HB3 1 28 VAL H 3.350 . 5.000 4.429 4.339 4.547 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
197 1 29 LEU H 1 30 GLY H 3.000 . 4.300 3.641 2.194 4.392 0.092 9 0 "[ . 1 . 2 . 3 . 4]" 2
198 1 29 LEU QB 1 30 GLY H 3.470 . 5.240 3.648 1.795 4.009 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
199 1 31 ALA H 1 32 GLU H 3.040 . 4.380 4.064 2.706 4.603 0.223 30 0 "[ . 1 . 2 . 3 . 4]" 2
200 1 33 ASP H 1 34 GLY H 2.820 . 3.940 2.969 1.941 4.070 0.130 39 0 "[ . 1 . 2 . 3 . 4]" 2
201 1 32 GLU H 1 33 ASP H 2.790 . 3.870 3.093 1.852 3.948 0.078 26 0 "[ . 1 . 2 . 3 . 4]" 2
202 1 34 GLY H 1 35 CYS H 3.020 . 4.330 2.582 1.872 3.561 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
203 1 33 ASP HA 1 34 GLY H 2.930 . 4.160 2.763 2.202 3.576 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
204 1 36 ILE MG 1 37 SER H 3.200 . 4.700 3.915 3.829 3.943 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
205 1 36 ILE HA 1 37 SER H 2.270 . 2.830 2.457 2.395 2.546 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
206 1 36 ILE MD 1 37 SER H 3.640 . 5.580 4.144 3.935 4.421 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
207 1 36 ILE QG 1 37 SER H 2.830 . 3.950 3.368 3.005 3.529 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
208 1 38 THR H 1 39 LYS H 2.670 . 3.630 2.840 2.507 3.052 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
209 1 37 SER H 1 38 THR H 3.390 . 5.080 4.595 4.514 4.666 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
210 1 38 THR HB 1 39 LYS H 3.260 . 4.820 3.664 3.283 4.067 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
211 1 39 LYS H 1 40 GLU H 2.590 . 3.480 2.577 2.413 2.797 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
212 1 38 THR MG 1 39 LYS H 3.680 . 5.660 3.980 3.628 4.221 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
213 1 39 LYS H 1 40 GLU QG 3.320 . 4.940 3.942 3.405 4.408 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
214 1 40 GLU H 1 41 LEU H 2.440 . 3.170 2.309 1.985 2.486 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
215 1 39 LYS QG 1 40 GLU H 3.350 . 5.000 3.886 1.991 4.471 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
216 1 41 LEU H 1 42 GLY H 3.020 . 4.330 2.884 2.627 3.033 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
217 1 40 GLU QG 1 41 LEU H 3.540 . 5.380 3.761 1.843 4.245 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
218 1 40 GLU HA 1 41 LEU H 2.940 . 4.180 3.545 3.494 3.586 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
219 1 42 GLY H 1 43 LYS H 2.810 . 3.920 3.070 2.831 3.305 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
220 1 43 LYS H 1 44 VAL MG2 3.850 . 6.000 4.494 4.024 4.719 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
221 1 44 VAL H 1 45 MET H 2.690 . 3.690 2.551 2.370 2.772 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
222 1 45 MET H 1 46 ARG H 2.670 . 3.630 2.598 2.285 2.853 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
223 1 45 MET QG 1 46 ARG H 3.410 . 5.120 4.236 4.012 4.418 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
224 1 47 MET H 1 48 LEU MD1 3.850 . 6.000 4.305 3.494 5.038 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
225 1 46 ARG QG 1 47 MET H 3.220 . 4.740 2.845 2.010 4.087 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
226 1 47 MET H 1 48 LEU H 2.580 . 3.470 2.581 2.343 2.879 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
227 1 46 ARG HA 1 47 MET H 3.040 . 4.380 3.467 3.312 3.585 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
228 1 48 LEU H 1 49 GLY H 2.610 . 3.520 2.243 1.973 2.424 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
229 1 47 MET QG 1 48 LEU H 3.400 . 5.100 4.410 3.967 4.552 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
230 1 48 LEU H 1 49 GLY QA 3.450 . 5.200 4.300 3.709 4.456 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
231 1 49 GLY H 1 50 GLN H 2.710 . 3.720 2.610 1.870 3.419 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
232 1 49 GLY H 1 50 GLN QB 3.560 . 5.420 3.914 3.244 4.828 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
233 1 48 LEU HA 1 49 GLY H 2.940 . 4.180 3.444 3.015 3.554 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
234 1 48 LEU QB 1 49 GLY H 3.480 . 5.260 3.021 2.653 3.973 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
235 1 50 GLN H 1 51 ASN H 3.460 . 5.220 4.553 4.158 4.709 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
236 1 50 GLN QB 1 51 ASN H 2.790 . 3.890 3.211 2.040 3.481 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
237 1 53 THR H 1 54 PRO QD 3.560 . 5.420 4.377 4.193 4.405 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
238 1 55 GLU H 1 56 GLU H 2.670 . 3.650 2.630 2.383 2.961 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
239 1 55 GLU QG 1 56 GLU H 3.560 . 5.420 4.139 1.857 4.667 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
240 1 56 GLU H 1 57 LEU QD 3.850 . 6.000 4.161 3.389 4.495 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
241 1 56 GLU H 1 57 LEU QB 3.760 . 5.820 4.066 3.805 4.518 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
242 1 55 GLU QB 1 56 GLU H 2.930 . 4.160 2.765 2.284 3.484 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
243 1 56 GLU H 1 57 LEU H 2.690 . 3.690 2.484 2.287 2.744 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
244 1 57 LEU H 1 58 GLN H 2.710 . 3.730 2.936 2.479 3.322 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
245 1 60 MET H 1 61 ILE H 2.650 . 3.600 2.543 1.906 3.104 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
246 1 61 ILE H 1 62 ASP H 2.630 . 3.570 2.795 2.502 3.271 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
247 1 61 ILE QG 1 62 ASP H 3.560 . 5.420 4.174 3.927 4.419 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
248 1 62 ASP H 1 63 GLU H 2.650 . 3.590 2.811 2.542 3.141 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
249 1 61 ILE MD 1 62 ASP H 3.760 . 5.820 4.331 3.874 4.774 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
250 1 63 GLU H 1 64 VAL H 2.540 . 3.370 2.292 1.888 2.685 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
251 1 64 VAL H 1 65 ASP H 2.420 . 3.130 2.339 1.864 2.526 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
252 1 63 GLU QG 1 64 VAL H 3.250 . 4.790 3.325 2.000 4.273 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
253 1 65 ASP H 1 66 GLU H 2.980 . 4.250 3.535 2.880 4.242 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
254 1 65 ASP QB 1 66 GLU H 3.460 . 5.220 3.929 3.704 4.084 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
255 1 66 GLU H 1 67 ASP H 2.650 . 3.590 2.847 2.505 3.609 0.019 25 0 "[ . 1 . 2 . 3 . 4]" 2
256 1 67 ASP H 1 68 GLY H 2.610 . 3.530 2.263 1.825 2.862 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
257 1 68 GLY H 1 69 SER H 2.850 . 4.000 2.660 1.964 3.493 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
258 1 68 GLY H 1 69 SER HA 3.840 . 5.980 4.875 4.208 5.585 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
259 1 67 ASP QB 1 68 GLY H 3.810 . 5.910 3.307 2.273 4.063 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
260 1 68 GLY H 1 69 SER QB 3.850 . 6.000 4.640 3.807 5.247 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
261 1 69 SER H 1 70 GLY H 2.540 . 3.380 2.600 1.874 3.119 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
262 1 68 GLY QA 1 69 SER H 2.970 . 4.240 2.688 2.178 2.939 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
263 1 70 GLY H 1 71 THR HA 3.730 . 5.750 5.103 4.619 5.523 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
264 1 69 SER QB 1 70 GLY H 3.680 . 5.660 3.512 2.009 4.028 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
265 1 71 THR H 1 72 VAL HA 3.530 . 5.360 4.672 4.581 4.860 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
266 1 70 GLY H 1 71 THR H 2.500 . 3.290 2.383 1.881 2.889 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
267 1 71 THR H 1 72 VAL H 3.360 . 5.020 4.298 4.177 4.413 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
268 1 71 THR HA 1 72 VAL H 2.260 . 2.820 2.230 2.206 2.280 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
269 1 72 VAL MG2 1 73 ASP H 3.370 . 5.040 3.969 3.465 4.125 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
270 1 72 VAL MG1 1 73 ASP H 3.040 . 4.380 3.465 3.228 3.637 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
271 1 72 VAL HA 1 73 ASP H 2.190 . 2.680 2.327 2.227 2.613 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
272 1 72 VAL HB 1 73 ASP H 2.600 . 3.500 2.783 2.008 3.131 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
273 1 74 PHE H 1 75 ASP H 2.610 . 3.530 2.694 2.576 2.898 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
274 1 75 ASP H 1 76 GLU H 2.500 . 3.300 2.477 2.358 2.908 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
275 1 74 PHE QD 1 75 ASP H 3.410 . 5.120 4.534 4.199 4.643 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
276 1 74 PHE HA 1 75 ASP H 2.960 . 4.210 3.459 3.392 3.538 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
277 1 76 GLU H 1 77 PHE H 2.560 . 3.420 2.602 2.481 2.764 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
278 1 76 GLU QB 1 77 PHE H 2.770 . 3.850 2.247 2.122 2.387 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
279 1 77 PHE H 1 78 LEU H 2.730 . 3.750 3.014 2.730 3.254 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
280 1 76 GLU QG 1 77 PHE H 3.140 . 4.580 3.858 3.620 4.129 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
281 1 77 PHE QD 1 78 LEU H 3.320 . 4.940 3.610 2.712 4.410 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
282 1 78 LEU H 1 79 VAL H 2.810 . 3.920 2.856 2.257 3.104 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
283 1 79 VAL H 1 80 MET H 2.640 . 3.580 2.786 2.519 3.051 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
284 1 79 VAL H 1 80 MET HB2 3.850 . 6.000 4.538 4.245 4.958 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
285 1 79 VAL MG2 1 80 MET H 3.120 . 4.540 3.769 3.654 3.801 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
286 1 80 MET H 1 81 MET H 2.560 . 3.420 2.706 2.474 2.988 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
287 1 80 MET HB3 1 81 MET H 2.770 . 3.850 3.435 2.885 3.857 0.007 24 0 "[ . 1 . 2 . 3 . 4]" 2
288 1 80 MET HB2 1 81 MET H 2.730 . 3.760 2.915 2.451 3.285 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
289 1 80 MET HA 1 81 MET H 3.060 . 4.410 3.531 3.457 3.586 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
290 1 81 MET HB2 1 82 VAL H 2.790 . 3.890 2.816 2.173 3.215 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
291 1 81 MET HB3 1 82 VAL H 2.940 . 4.170 2.744 2.178 3.742 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
292 1 81 MET HA 1 82 VAL H 3.120 . 4.540 3.579 3.508 3.593 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
293 1 83 ARG H 1 84 CYS QB 3.850 . 6.000 4.170 3.663 5.009 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
294 1 82 VAL H 1 83 ARG H 2.670 . 3.630 2.705 2.478 2.835 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
295 1 83 ARG HA 1 84 CYS H 2.920 . 4.130 3.502 3.166 3.593 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
296 1 83 ARG QB 1 84 CYS H 2.850 . 4.000 2.691 1.914 3.567 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
297 1 84 CYS QB 1 85 MET H 2.980 . 4.260 2.951 1.869 3.803 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 154
_Distance_constraint_stats_list.Viol_count 110
_Distance_constraint_stats_list.Viol_total 196.961
_Distance_constraint_stats_list.Viol_max 0.199
_Distance_constraint_stats_list.Viol_rms 0.0082
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0008
_Distance_constraint_stats_list.Viol_average_violations_only 0.0448
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 5 TYR 0.006 0.006 4 0 "[ . 1 . 2 . 3 . 4]"
1 8 ALA 2.822 0.199 14 0 "[ . 1 . 2 . 3 . 4]"
1 9 VAL 0.898 0.148 13 0 "[ . 1 . 2 . 3 . 4]"
1 12 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 17 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 19 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 20 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 21 LYS 0.008 0.008 7 0 "[ . 1 . 2 . 3 . 4]"
1 23 ALA 0.036 0.036 8 0 "[ . 1 . 2 . 3 . 4]"
1 24 PHE 0.007 0.005 4 0 "[ . 1 . 2 . 3 . 4]"
1 26 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 27 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 28 VAL 0.135 0.046 39 0 "[ . 1 . 2 . 3 . 4]"
1 29 LEU 0.050 0.025 23 0 "[ . 1 . 2 . 3 . 4]"
1 34 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 35 CYS 0.085 0.046 39 0 "[ . 1 . 2 . 3 . 4]"
1 36 ILE 0.905 0.049 26 0 "[ . 1 . 2 . 3 . 4]"
1 37 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 38 THR 0.005 0.005 27 0 "[ . 1 . 2 . 3 . 4]"
1 41 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 42 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 44 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 45 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 47 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 48 LEU 0.036 0.036 8 0 "[ . 1 . 2 . 3 . 4]"
1 50 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 52 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 57 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 60 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 61 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 64 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 65 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 70 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 71 THR 0.046 0.014 16 0 "[ . 1 . 2 . 3 . 4]"
1 72 VAL 0.917 0.054 2 0 "[ . 1 . 2 . 3 . 4]"
1 73 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 74 PHE 0.014 0.008 7 0 "[ . 1 . 2 . 3 . 4]"
1 77 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 78 LEU 0.898 0.148 13 0 "[ . 1 . 2 . 3 . 4]"
1 79 VAL 0.006 0.006 4 0 "[ . 1 . 2 . 3 . 4]"
1 80 MET 0.152 0.054 2 0 "[ . 1 . 2 . 3 . 4]"
1 81 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 82 VAL 2.822 0.199 14 0 "[ . 1 . 2 . 3 . 4]"
1 83 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 84 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 85 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
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 23 ALA HA 1 47 MET ME 3.670 . 5.640 3.355 2.044 4.560 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
2 1 23 ALA MB 1 47 MET ME 3.850 . 6.000 3.076 1.809 4.122 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
3 1 23 ALA MB 1 44 VAL HA 3.630 . 5.560 4.196 3.529 4.611 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
4 1 23 ALA MB 1 44 VAL MG2 3.610 . 5.520 3.798 3.570 3.843 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
5 1 23 ALA MB 1 44 VAL MG1 3.350 . 5.000 3.076 2.637 3.459 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
6 1 8 ALA HA 1 82 VAL QG 3.850 . 6.000 2.886 1.882 3.655 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
7 1 8 ALA MB 1 79 VAL HA 3.850 . 6.000 3.161 2.705 3.585 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
8 1 8 ALA MB 1 79 VAL H 3.850 . 6.000 4.983 4.808 5.022 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
9 1 24 PHE HZ 1 35 CYS HA 3.410 . 5.120 2.075 1.866 2.892 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
10 1 35 CYS HA 1 74 PHE H 3.850 . 6.000 4.440 3.992 4.967 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
11 1 28 VAL QG 1 35 CYS HA 3.790 . 5.880 3.244 2.679 3.732 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
12 1 35 CYS QB 1 71 THR HB 3.250 . 4.800 2.656 2.130 3.044 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
13 1 35 CYS QB 1 71 THR MG 3.850 . 6.000 3.822 3.163 4.197 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
14 1 60 MET ME 1 84 CYS HA 3.850 . 6.000 4.345 3.403 4.991 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
15 1 45 MET ME 1 84 CYS QB 3.850 . 6.000 3.188 2.591 4.116 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
16 1 60 MET ME 1 84 CYS QB 3.850 . 6.000 3.691 2.426 4.362 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
17 1 50 GLN QG 1 84 CYS QB 3.850 . 6.000 3.928 2.567 4.724 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
18 1 38 THR MG 1 65 ASP QB 3.700 . 5.700 3.723 2.950 4.212 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
19 1 24 PHE HZ 1 73 ASP HA 2.940 . 4.180 2.181 1.858 2.991 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
20 1 36 ILE H 1 73 ASP HA 3.280 . 4.860 3.679 3.369 4.052 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
21 1 19 GLU QG 1 48 LEU MD2 3.850 . 6.000 3.414 2.075 4.440 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
22 1 20 PHE QB 1 78 LEU QD 3.790 . 5.880 3.363 2.403 3.894 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
23 1 24 PHE HA 1 36 ILE MD 3.830 . 5.960 3.634 2.990 4.317 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
24 1 24 PHE HA 1 44 VAL MG2 3.130 . 4.560 3.200 2.653 3.793 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
25 1 24 PHE HA 1 44 VAL MG1 3.000 . 4.300 3.178 2.501 3.583 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
26 1 27 PHE HB2 1 36 ILE MD 3.730 . 5.760 3.400 2.385 4.483 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
27 1 27 PHE HB2 1 36 ILE MG 2.990 . 4.280 2.574 1.847 3.556 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
28 1 27 PHE HB3 1 36 ILE MD 3.850 . 6.000 3.826 2.815 4.894 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
29 1 27 PHE HB3 1 36 ILE MG 3.270 . 4.830 3.222 2.308 3.942 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
30 1 28 VAL QG 1 34 GLY QA 2.720 . 3.740 1.826 1.710 2.398 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
31 1 42 GLY QA 1 57 LEU QD 3.430 . 5.160 2.785 1.772 3.413 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
32 1 38 THR MG 1 70 GLY QA 3.500 . 5.290 2.153 1.805 2.644 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
33 1 26 ILE MD 1 47 MET ME 3.690 . 5.680 3.035 1.827 3.922 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
34 1 26 ILE MG 1 47 MET ME 3.850 . 6.000 3.061 1.849 3.876 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
35 1 28 VAL HA 1 36 ILE MG 2.690 . 3.670 2.291 1.781 3.039 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
36 1 36 ILE MG 1 72 VAL MG2 3.850 . 6.000 3.661 3.526 3.888 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
37 1 38 THR MG 1 61 ILE HA 3.850 . 6.000 4.290 3.795 4.814 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
38 1 41 LEU QB 1 61 ILE MD 3.570 . 5.440 3.854 3.262 4.044 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
39 1 38 THR HB 1 61 ILE MD 2.980 . 4.250 2.061 1.713 3.038 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
40 1 61 ILE MG 1 71 THR H 3.480 . 5.260 4.308 4.029 4.388 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
41 1 17 LYS HA 1 78 LEU QD 3.850 . 6.000 3.875 3.078 4.410 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
42 1 9 VAL QG 1 17 LYS QE 3.580 . 5.460 3.026 2.041 3.609 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
43 1 12 LEU MD2 1 85 MET ME 3.550 . 5.400 3.318 2.665 3.744 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
44 1 41 LEU MD1 1 80 MET ME 3.850 . 6.000 2.480 1.727 3.774 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
45 1 23 ALA MB 1 48 LEU MD1 3.850 . 6.000 2.723 1.853 4.172 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
46 1 20 PHE HA 1 48 LEU MD1 3.850 . 6.000 3.566 2.662 4.946 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
47 1 23 ALA MB 1 48 LEU MD2 3.850 . 6.000 3.339 1.664 4.168 0.036 8 0 "[ . 1 . 2 . 3 . 4]" 3
48 1 19 GLU QB 1 48 LEU MD2 3.850 . 6.000 3.691 2.636 4.444 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
49 1 20 PHE HA 1 48 LEU MD2 3.750 . 5.800 3.393 2.467 4.371 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
50 1 42 GLY H 1 57 LEU QD 3.710 . 5.720 3.655 2.679 4.245 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
51 1 45 MET QG 1 57 LEU QD 3.540 . 5.380 3.039 2.156 3.559 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
52 1 9 VAL QG 1 78 LEU QD 3.850 . 6.000 1.864 1.552 3.169 0.148 13 0 "[ . 1 . 2 . 3 . 4]" 3
53 1 17 LYS QG 1 78 LEU QD 3.850 . 6.000 3.138 2.321 3.940 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
54 1 45 MET ME 1 84 CYS H 3.850 . 6.000 4.719 4.226 5.002 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
55 1 45 MET ME 1 81 MET HA 3.240 . 4.780 2.866 2.146 3.633 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
56 1 45 MET ME 1 81 MET H 3.850 . 6.000 4.242 3.564 4.925 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
57 1 45 MET ME 1 52 PRO QD 3.660 . 5.620 3.861 2.979 4.168 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
58 1 60 MET ME 1 80 MET HA 3.850 . 6.000 3.755 2.422 4.767 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
59 1 61 ILE HA 1 80 MET ME 3.500 . 5.300 2.952 2.144 3.876 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
60 1 50 GLN QG 1 81 MET ME 3.850 . 6.000 3.239 1.840 4.439 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
61 1 37 SER HA 1 71 THR HA 2.690 . 3.690 2.658 2.006 2.916 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
62 1 29 LEU MD1 1 37 SER QB 3.850 . 6.000 4.032 2.780 4.459 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
63 1 37 SER QB 1 71 THR MG 3.850 . 6.000 3.736 2.729 4.393 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
64 1 29 LEU MD2 1 37 SER QB 3.850 . 6.000 4.105 3.212 4.457 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
65 1 38 THR HB 1 61 ILE QG 3.210 . 4.720 3.651 2.844 4.210 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
66 1 38 THR HB 1 61 ILE MG 3.290 . 4.880 3.100 1.932 3.908 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
67 1 38 THR MG 1 71 THR HA 3.060 . 4.420 2.825 2.145 3.647 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
68 1 38 THR MG 1 71 THR H 3.310 . 4.920 3.320 2.740 3.952 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
69 1 38 THR H 1 71 THR HA 2.810 . 3.910 2.849 2.152 3.534 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
70 1 37 SER HA 1 71 THR MG 3.820 . 5.940 2.335 1.836 2.875 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
71 1 28 VAL HA 1 36 ILE HA 2.960 . 4.210 2.584 1.872 3.168 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
72 1 28 VAL HB 1 34 GLY QA 3.080 . 4.460 3.970 3.823 4.010 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
73 1 28 VAL QG 1 35 CYS H 3.040 . 4.380 2.058 1.770 2.776 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
74 1 28 VAL QG 1 34 GLY H 3.540 . 5.380 2.851 1.935 3.991 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
75 1 28 VAL QG 1 36 ILE MG 3.100 . 4.500 2.085 1.654 2.747 0.046 4 0 "[ . 1 . 2 . 3 . 4]" 3
76 1 64 VAL QG 1 80 MET HA 3.820 . 5.940 4.057 3.228 4.407 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
77 1 64 VAL QG 1 80 MET ME 3.050 . 4.400 2.421 1.940 2.719 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
78 1 36 ILE QG 1 72 VAL HB 3.020 . 4.340 3.823 3.702 3.897 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
79 1 36 ILE MD 1 72 VAL MG2 3.850 . 6.000 2.372 2.116 2.575 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
80 1 36 ILE H 1 72 VAL MG2 3.730 . 5.760 2.844 2.656 3.038 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
81 1 41 LEU HG 1 72 VAL MG2 3.390 . 5.080 3.353 2.172 4.239 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
82 1 72 VAL MG2 1 80 MET ME 3.200 . 4.700 3.123 2.583 3.264 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
83 1 38 THR HA 1 72 VAL MG2 2.730 . 3.770 3.010 2.581 3.151 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
84 1 72 VAL MG1 1 80 MET ME 3.000 . 4.300 1.843 1.646 2.229 0.054 2 0 "[ . 1 . 2 . 3 . 4]" 3
85 1 5 TYR QB 1 79 VAL MG1 3.580 . 5.460 2.089 1.694 2.779 0.006 4 0 "[ . 1 . 2 . 3 . 4]" 3
86 1 5 TYR HA 1 79 VAL MG2 3.710 . 5.710 4.322 3.358 4.765 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
87 1 5 TYR QB 1 79 VAL MG2 3.820 . 5.940 2.417 1.797 2.890 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
88 1 8 ALA MB 1 82 VAL HB 3.850 . 6.000 2.474 1.929 3.294 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
89 1 8 ALA MB 1 82 VAL QG 3.850 . 6.000 1.640 1.501 1.836 0.199 14 0 "[ . 1 . 2 . 3 . 4]" 3
90 1 9 VAL HA 1 82 VAL QG 3.500 . 5.300 3.880 3.660 3.950 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
91 1 5 TYR HA 1 82 VAL QG 3.850 . 6.000 3.657 2.706 4.236 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
92 1 5 TYR QB 1 82 VAL QG 3.850 . 6.000 3.864 3.573 3.977 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
93 1 9 VAL QG 1 17 LYS QD 3.850 . 6.000 3.099 1.806 3.960 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
94 1 9 VAL QG 1 79 VAL HA 3.850 . 6.000 3.996 3.039 4.405 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
95 1 20 PHE QD 1 78 LEU QD 3.850 . 6.000 3.152 2.604 3.672 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
96 1 24 PHE QB 1 74 PHE QE 3.850 . 6.000 3.192 2.506 3.946 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
97 1 24 PHE QE 1 74 PHE HA 3.850 . 6.000 3.681 2.372 4.485 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
98 1 24 PHE QD 1 36 ILE MD 3.850 . 6.000 2.924 2.165 4.005 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
99 1 24 PHE QE 1 36 ILE MD 3.850 . 6.000 2.870 1.905 3.885 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
100 1 36 ILE MD 1 77 PHE QD 3.850 . 6.000 3.599 2.810 4.240 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
101 1 21 LYS HA 1 74 PHE QD 3.850 . 6.000 3.894 2.914 4.844 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
102 1 21 LYS HA 1 74 PHE QE 3.430 . 5.160 2.434 1.872 3.533 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
103 1 12 LEU MD2 1 20 PHE QD 3.850 . 6.000 4.202 3.590 4.455 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
104 1 12 LEU MD2 1 20 PHE QE 3.850 . 6.000 3.663 2.536 4.384 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
105 1 12 LEU MD1 1 20 PHE QD 3.850 . 6.000 3.533 2.541 4.246 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
106 1 12 LEU MD1 1 20 PHE QE 3.850 . 6.000 3.578 2.377 4.447 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
107 1 41 LEU MD2 1 77 PHE QD 3.850 . 6.000 3.193 1.922 4.252 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
108 1 41 LEU MD1 1 77 PHE QD 3.850 . 6.000 2.399 1.707 3.902 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
109 1 20 PHE QE 1 48 LEU MD1 3.850 . 6.000 2.220 1.726 3.694 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
110 1 20 PHE QD 1 48 LEU MD2 3.850 . 6.000 3.182 2.282 4.267 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
111 1 20 PHE QE 1 48 LEU MD2 3.850 . 6.000 2.725 1.776 4.296 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
112 1 20 PHE QE 1 78 LEU QD 3.850 . 6.000 3.710 2.661 3.971 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
113 1 45 MET ME 1 77 PHE QD 3.850 . 6.000 4.045 2.948 4.451 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
114 1 27 PHE QD 1 47 MET ME 3.850 . 6.000 3.994 2.974 4.449 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
115 1 27 PHE QE 1 47 MET ME 3.850 . 6.000 2.387 1.744 3.261 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
116 1 20 PHE QD 1 81 MET ME 3.850 . 6.000 4.071 2.669 4.454 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
117 1 20 PHE QE 1 81 MET ME 3.850 . 6.000 2.243 1.747 2.807 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
118 1 20 PHE QD 1 81 MET QG 3.850 . 6.000 4.427 3.876 4.784 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
119 1 5 TYR QE 1 83 ARG HA 3.850 . 6.000 4.921 3.951 5.349 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
120 1 27 PHE QD 1 44 VAL HA 3.830 . 5.960 4.609 3.752 5.261 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
121 1 27 PHE QE 1 44 VAL HA 3.850 . 6.000 4.139 3.173 5.344 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
122 1 5 TYR QE 1 79 VAL MG1 3.850 . 6.000 3.575 2.997 4.365 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
123 1 5 TYR QD 1 79 VAL MG2 3.850 . 6.000 3.877 2.786 4.372 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
124 1 20 PHE H 1 48 LEU MD2 3.850 . 6.000 4.619 4.010 5.002 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
125 1 20 PHE H 1 74 PHE HZ 3.470 . 5.240 4.550 3.481 5.168 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
126 1 21 LYS H 1 74 PHE QE 3.060 . 4.420 3.382 2.578 3.940 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
127 1 21 LYS H 1 74 PHE HZ 2.710 . 3.720 3.180 2.255 3.728 0.008 7 0 "[ . 1 . 2 . 3 . 4]" 3
128 1 27 PHE H 1 36 ILE MG 3.520 . 5.340 3.266 2.547 3.938 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
129 1 28 VAL H 1 36 ILE MG 3.450 . 5.200 3.535 2.940 3.993 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
130 1 29 LEU H 1 36 ILE HA 3.310 . 4.910 4.545 2.617 4.935 0.025 23 0 "[ . 1 . 2 . 3 . 4]" 3
131 1 29 LEU H 1 36 ILE MG 3.850 . 6.000 4.387 3.947 4.870 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
132 1 28 VAL HA 1 35 CYS H 3.290 . 4.880 4.016 2.986 4.813 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
133 1 24 PHE QE 1 35 CYS H 3.690 . 5.680 4.376 3.467 5.042 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
134 1 28 VAL HB 1 35 CYS H 3.340 . 4.980 4.771 3.721 5.026 0.046 39 0 "[ . 1 . 2 . 3 . 4]" 3
135 1 36 ILE H 1 72 VAL HB 3.250 . 4.790 4.799 4.681 4.839 0.049 26 0 "[ . 1 . 2 . 3 . 4]" 3
136 1 36 ILE H 1 72 VAL H 2.620 . 3.540 3.165 2.826 3.357 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
137 1 24 PHE HZ 1 36 ILE H 2.740 . 3.780 3.065 2.279 3.730 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
138 1 24 PHE QE 1 36 ILE H 3.220 . 4.740 3.397 2.946 4.000 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
139 1 36 ILE H 1 71 THR HB 2.960 . 4.220 4.112 3.635 4.234 0.014 16 0 "[ . 1 . 2 . 3 . 4]" 3
140 1 37 SER H 1 71 THR HA 3.390 . 5.080 4.883 4.381 5.074 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
141 1 38 THR H 1 71 THR H 3.510 . 5.320 4.699 4.152 5.250 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
142 1 38 THR H 1 71 THR HB 3.640 . 5.580 5.113 4.227 5.585 0.005 27 0 "[ . 1 . 2 . 3 . 4]" 3
143 1 38 THR H 1 72 VAL MG2 3.730 . 5.750 4.033 3.531 4.710 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
144 1 36 ILE MD 1 44 VAL H 3.850 . 6.000 4.826 4.343 5.006 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
145 1 45 MET H 1 77 PHE QE 3.830 . 5.960 4.847 4.173 5.301 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
146 1 38 THR MG 1 70 GLY H 3.690 . 5.680 3.858 3.163 4.589 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
147 1 37 SER HA 1 71 THR H 3.600 . 5.500 5.198 4.521 5.460 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
148 1 65 ASP QB 1 71 THR H 3.450 . 5.200 3.902 2.330 4.590 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
149 1 36 ILE MG 1 72 VAL H 3.850 . 6.000 4.837 4.575 4.977 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
150 1 36 ILE MD 1 72 VAL H 3.850 . 6.000 4.305 4.101 4.473 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
151 1 35 CYS QB 1 72 VAL H 3.070 . 4.440 3.842 3.516 3.972 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
152 1 37 SER HA 1 72 VAL H 3.020 . 4.340 4.090 3.639 4.333 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
153 1 24 PHE QE 1 74 PHE H 3.190 . 4.680 3.656 2.608 4.185 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
154 1 24 PHE HZ 1 74 PHE H 2.790 . 3.870 3.387 2.775 3.875 0.005 4 0 "[ . 1 . 2 . 3 . 4]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 268
_Distance_constraint_stats_list.Viol_count 206
_Distance_constraint_stats_list.Viol_total 182.392
_Distance_constraint_stats_list.Viol_max 0.111
_Distance_constraint_stats_list.Viol_rms 0.0044
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0004
_Distance_constraint_stats_list.Viol_average_violations_only 0.0221
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 3 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 4 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 5 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 6 LYS 0.082 0.014 2 0 "[ . 1 . 2 . 3 . 4]"
1 7 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 8 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 9 VAL 0.023 0.008 32 0 "[ . 1 . 2 . 3 . 4]"
1 10 GLU 0.061 0.014 2 0 "[ . 1 . 2 . 3 . 4]"
1 11 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 12 LEU 0.003 0.003 35 0 "[ . 1 . 2 . 3 . 4]"
1 13 THR 0.019 0.014 28 0 "[ . 1 . 2 . 3 . 4]"
1 14 GLU 0.089 0.047 15 0 "[ . 1 . 2 . 3 . 4]"
1 15 GLU 0.089 0.021 29 0 "[ . 1 . 2 . 3 . 4]"
1 16 GLN 0.111 0.047 15 0 "[ . 1 . 2 . 3 . 4]"
1 17 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 18 ASN 0.224 0.021 29 0 "[ . 1 . 2 . 3 . 4]"
1 19 GLU 0.031 0.007 37 0 "[ . 1 . 2 . 3 . 4]"
1 20 PHE 0.025 0.019 20 0 "[ . 1 . 2 . 3 . 4]"
1 21 LYS 0.056 0.012 24 0 "[ . 1 . 2 . 3 . 4]"
1 22 ALA 0.129 0.014 20 0 "[ . 1 . 2 . 3 . 4]"
1 23 ALA 0.028 0.012 24 0 "[ . 1 . 2 . 3 . 4]"
1 24 PHE 0.019 0.019 20 0 "[ . 1 . 2 . 3 . 4]"
1 25 ASP 0.183 0.043 35 0 "[ . 1 . 2 . 3 . 4]"
1 26 ILE 0.011 0.011 33 0 "[ . 1 . 2 . 3 . 4]"
1 27 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 28 VAL 0.217 0.043 35 0 "[ . 1 . 2 . 3 . 4]"
1 30 GLY 0.023 0.023 11 0 "[ . 1 . 2 . 3 . 4]"
1 31 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 33 ASP 0.201 0.079 39 0 "[ . 1 . 2 . 3 . 4]"
1 34 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 35 CYS 0.201 0.079 39 0 "[ . 1 . 2 . 3 . 4]"
1 36 ILE 0.133 0.076 3 0 "[ . 1 . 2 . 3 . 4]"
1 37 SER 0.091 0.091 26 0 "[ . 1 . 2 . 3 . 4]"
1 38 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 39 LYS 0.007 0.007 2 0 "[ . 1 . 2 . 3 . 4]"
1 40 GLU 0.091 0.091 26 0 "[ . 1 . 2 . 3 . 4]"
1 41 LEU 0.140 0.076 3 0 "[ . 1 . 2 . 3 . 4]"
1 42 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 43 LYS 0.011 0.005 16 0 "[ . 1 . 2 . 3 . 4]"
1 44 VAL 0.008 0.008 3 0 "[ . 1 . 2 . 3 . 4]"
1 45 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 46 ARG 0.036 0.013 8 0 "[ . 1 . 2 . 3 . 4]"
1 47 MET 0.197 0.111 8 0 "[ . 1 . 2 . 3 . 4]"
1 48 LEU 0.020 0.013 8 0 "[ . 1 . 2 . 3 . 4]"
1 49 GLY 0.192 0.111 8 0 "[ . 1 . 2 . 3 . 4]"
1 50 GLN 0.016 0.009 10 0 "[ . 1 . 2 . 3 . 4]"
1 52 PRO 0.012 0.012 31 0 "[ . 1 . 2 . 3 . 4]"
1 53 THR 0.028 0.016 33 0 "[ . 1 . 2 . 3 . 4]"
1 54 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 55 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 56 GLU 0.040 0.016 33 0 "[ . 1 . 2 . 3 . 4]"
1 57 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 58 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 59 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 60 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 61 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 62 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 63 GLU 0.229 0.043 28 0 "[ . 1 . 2 . 3 . 4]"
1 64 VAL 0.004 0.004 22 0 "[ . 1 . 2 . 3 . 4]"
1 65 ASP 0.229 0.043 28 0 "[ . 1 . 2 . 3 . 4]"
1 66 GLU 0.004 0.004 22 0 "[ . 1 . 2 . 3 . 4]"
1 67 ASP 0.006 0.006 38 0 "[ . 1 . 2 . 3 . 4]"
1 68 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 69 SER 0.056 0.014 27 0 "[ . 1 . 2 . 3 . 4]"
1 70 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 71 THR 0.051 0.014 27 0 "[ . 1 . 2 . 3 . 4]"
1 72 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 73 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 74 PHE 2.315 0.086 6 0 "[ . 1 . 2 . 3 . 4]"
1 75 ASP 0.038 0.012 12 0 "[ . 1 . 2 . 3 . 4]"
1 76 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 77 PHE 2.787 0.086 6 0 "[ . 1 . 2 . 3 . 4]"
1 78 LEU 0.061 0.012 12 0 "[ . 1 . 2 . 3 . 4]"
1 79 VAL 0.406 0.029 19 0 "[ . 1 . 2 . 3 . 4]"
1 80 MET 0.066 0.025 14 0 "[ . 1 . 2 . 3 . 4]"
1 81 MET 0.023 0.007 39 0 "[ . 1 . 2 . 3 . 4]"
1 82 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 83 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 84 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 85 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
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 22 ALA HA 1 25 ASP QB 3.020 . 4.340 3.507 2.573 3.876 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
2 1 22 ALA HA 1 25 ASP H 3.350 . 5.000 4.137 3.319 4.667 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
3 1 23 ALA HA 1 26 ILE HB 3.020 . 4.330 3.296 2.469 3.818 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
4 1 23 ALA HA 1 26 ILE MD 2.730 . 3.750 2.593 1.967 3.134 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
5 1 23 ALA HA 1 26 ILE QG 2.780 . 3.860 2.946 1.721 3.450 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
6 1 20 PHE HA 1 23 ALA MB 3.190 . 4.670 2.636 2.014 3.136 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
7 1 31 ALA MB 1 35 CYS H 3.320 . 4.940 2.483 1.904 3.275 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
8 1 31 ALA MB 1 34 GLY H 3.540 . 5.370 3.769 2.512 4.481 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
9 1 28 VAL HA 1 31 ALA MB 3.570 . 5.440 3.760 2.798 4.563 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
10 1 28 VAL QG 1 31 ALA MB 3.730 . 5.750 2.772 1.877 3.557 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
11 1 7 ALA HA 1 10 GLU QG 2.980 . 4.250 3.343 1.838 3.797 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
12 1 4 ILE HA 1 7 ALA MB 3.170 . 4.630 3.597 2.611 3.865 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
13 1 8 ALA HA 1 11 GLN H 3.450 . 5.200 3.920 3.377 4.477 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
14 1 5 TYR HA 1 8 ALA MB 3.430 . 5.160 2.630 2.095 3.180 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
15 1 81 MET HA 1 84 CYS QB 3.400 . 5.100 3.112 2.287 4.283 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
16 1 25 ASP HA 1 28 VAL HB 2.880 . 4.050 3.389 1.863 4.072 0.022 33 0 "[ . 1 . 2 . 3 . 4]" 4
17 1 25 ASP HA 1 28 VAL QG 2.650 . 3.590 1.875 1.685 2.680 0.015 35 0 "[ . 1 . 2 . 3 . 4]" 4
18 1 61 ILE MG 1 65 ASP QB 3.100 . 4.500 2.119 1.799 2.511 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
19 1 75 ASP HA 1 78 LEU QB 3.110 . 4.520 3.299 2.758 3.592 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
20 1 75 ASP HA 1 78 LEU QD 3.530 . 5.360 3.434 2.551 3.993 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
21 1 75 ASP HA 1 78 LEU H 3.090 . 4.480 4.320 3.971 4.492 0.012 12 0 "[ . 1 . 2 . 3 . 4]" 4
22 1 75 ASP HA 1 79 VAL H 3.420 . 5.140 4.656 4.388 5.045 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
23 1 10 GLU HA 1 12 LEU H 3.400 . 5.090 4.208 3.614 4.927 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
24 1 14 GLU HA 1 17 LYS QE 3.180 . 4.660 3.520 2.553 4.137 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
25 1 14 GLU HA 1 17 LYS H 3.500 . 5.300 3.455 3.133 3.740 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
26 1 14 GLU HA 1 18 ASN H 3.540 . 5.380 4.113 3.347 5.154 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
27 1 14 GLU QG 1 17 LYS H 3.850 . 6.000 4.975 4.274 5.332 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
28 1 15 GLU HA 1 18 ASN QB 3.100 . 4.500 3.086 2.498 3.896 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
29 1 19 GLU HA 1 22 ALA MB 3.420 . 5.140 3.167 2.498 3.659 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
30 1 19 GLU HA 1 22 ALA H 3.650 . 5.590 3.821 3.402 4.195 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
31 1 37 SER QB 1 40 GLU QG 3.200 . 4.700 2.140 1.609 3.096 0.091 26 0 "[ . 1 . 2 . 3 . 4]" 4
32 1 55 GLU HA 1 58 GLN H 3.450 . 5.200 4.187 3.534 4.844 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
33 1 56 GLU HA 1 59 GLU QB 3.120 . 4.540 2.632 2.038 4.081 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
34 1 53 THR H 1 56 GLU HB3 3.140 . 4.580 4.242 3.193 4.586 0.006 39 0 "[ . 1 . 2 . 3 . 4]" 4
35 1 52 PRO HA 1 56 GLU HB2 3.850 . 6.000 5.571 4.768 6.012 0.012 31 0 "[ . 1 . 2 . 3 . 4]" 4
36 1 53 THR H 1 56 GLU HB2 2.870 . 4.040 3.287 2.166 3.828 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
37 1 59 GLU HA 1 62 ASP QB 3.480 . 5.250 3.260 2.606 4.483 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
38 1 59 GLU HA 1 62 ASP H 3.360 . 5.020 4.028 3.457 4.696 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
39 1 60 MET HA 1 63 GLU QB 3.850 . 6.000 3.555 2.268 5.205 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
40 1 76 GLU HA 1 79 VAL HB 2.620 . 3.540 2.846 2.387 3.504 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
41 1 76 GLU HA 1 79 VAL MG1 3.850 . 6.000 4.080 3.562 4.748 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
42 1 73 ASP H 1 76 GLU QB 2.880 . 4.050 2.019 1.850 2.331 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
43 1 72 VAL MG1 1 76 GLU QB 3.270 . 4.830 2.090 1.899 2.361 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
44 1 21 LYS HA 1 24 PHE QB 2.840 . 3.980 2.559 2.144 3.223 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
45 1 74 PHE HA 1 77 PHE H 2.860 . 4.020 4.078 4.045 4.106 0.086 6 0 "[ . 1 . 2 . 3 . 4]" 4
46 1 77 PHE HA 1 80 MET HB3 2.990 . 4.280 4.028 3.348 4.305 0.025 14 0 "[ . 1 . 2 . 3 . 4]" 4
47 1 77 PHE HA 1 80 MET ME 3.570 . 5.440 3.248 1.993 4.286 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
48 1 77 PHE HA 1 80 MET QG 3.210 . 4.720 3.793 2.474 4.218 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
49 1 77 PHE HA 1 80 MET H 2.910 . 4.120 3.621 3.318 3.973 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
50 1 72 VAL MG2 1 77 PHE HA 3.330 . 4.960 3.632 3.313 3.948 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
51 1 72 VAL MG1 1 77 PHE HA 3.200 . 4.700 3.590 3.325 3.851 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
52 1 77 PHE HA 1 79 VAL H 3.170 . 4.640 4.633 4.498 4.669 0.029 19 0 "[ . 1 . 2 . 3 . 4]" 4
53 1 74 PHE HA 1 77 PHE QB 2.670 . 3.640 2.784 2.365 3.116 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
54 1 42 GLY QA 1 45 MET HB2 2.810 . 3.920 2.777 2.395 3.210 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
55 1 42 GLY QA 1 45 MET H 2.790 . 3.870 3.367 3.174 3.456 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
56 1 36 ILE MD 1 41 LEU HA 3.080 . 4.460 2.372 1.986 2.863 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
57 1 4 ILE HA 1 7 ALA H 3.370 . 5.040 3.882 3.268 4.546 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
58 1 4 ILE HA 1 6 LYS H 3.730 . 5.750 4.091 3.627 5.320 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
59 1 61 ILE HA 1 63 GLU H 3.650 . 5.600 4.265 3.671 5.127 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
60 1 61 ILE HA 1 64 VAL H 3.330 . 4.950 3.247 2.817 3.650 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
61 1 58 GLN HA 1 61 ILE HB 2.420 . 3.150 2.534 2.180 2.920 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
62 1 58 GLN HA 1 61 ILE MD 2.660 . 3.620 2.274 1.848 2.986 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
63 1 58 GLN HA 1 61 ILE MG 3.180 . 4.660 3.785 3.426 3.892 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
64 1 18 ASN HA 1 21 LYS QB 2.930 . 4.160 2.480 2.211 2.886 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
65 1 6 LYS HA 1 9 VAL HB 3.060 . 4.420 4.071 3.531 4.428 0.008 32 0 "[ . 1 . 2 . 3 . 4]" 4
66 1 6 LYS HA 1 9 VAL QG 3.820 . 5.940 3.591 2.532 4.334 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
67 1 12 LEU MD2 1 16 GLN QB 3.520 . 5.330 2.930 1.836 3.827 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
68 1 9 VAL HA 1 12 LEU MD1 2.670 . 3.640 2.196 1.765 3.034 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
69 1 9 VAL HA 1 12 LEU HG 2.570 . 3.440 3.129 2.586 3.443 0.003 35 0 "[ . 1 . 2 . 3 . 4]" 4
70 1 41 LEU HA 1 44 VAL MG2 3.000 . 4.300 2.885 2.527 3.312 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
71 1 41 LEU HA 1 44 VAL H 2.930 . 4.160 3.348 2.988 3.725 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
72 1 36 ILE MD 1 41 LEU MD2 3.850 . 6.000 3.320 1.624 4.155 0.076 3 0 "[ . 1 . 2 . 3 . 4]" 4
73 1 36 ILE MD 1 41 LEU MD1 3.850 . 6.000 3.002 1.682 4.051 0.018 32 0 "[ . 1 . 2 . 3 . 4]" 4
74 1 41 LEU MD1 1 45 MET ME 3.850 . 6.000 3.182 2.227 4.022 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
75 1 45 MET HA 1 48 LEU MD1 3.850 . 6.000 3.522 2.088 4.989 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
76 1 57 LEU HA 1 60 MET QB 3.150 . 4.590 3.073 2.239 4.124 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
77 1 54 PRO HA 1 57 LEU QD 3.770 . 5.830 2.606 1.784 3.478 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
78 1 78 LEU HA 1 81 MET HB3 2.980 . 4.260 3.928 3.316 4.267 0.007 39 0 "[ . 1 . 2 . 3 . 4]" 4
79 1 78 LEU HA 1 81 MET HB2 2.650 . 3.600 2.723 2.103 3.315 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
80 1 78 LEU HA 1 81 MET QG 3.500 . 5.290 3.852 2.671 4.675 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
81 1 78 LEU HA 1 81 MET H 2.810 . 3.920 3.562 3.158 3.927 0.007 21 0 "[ . 1 . 2 . 3 . 4]" 4
82 1 45 MET HA 1 48 LEU H 3.240 . 4.780 3.855 3.380 4.277 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
83 1 41 LEU MD1 1 45 MET QG 3.170 . 4.630 3.257 1.797 3.442 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
84 1 47 MET HA 1 49 GLY H 3.110 . 4.520 4.332 3.735 4.631 0.111 8 0 "[ . 1 . 2 . 3 . 4]" 4
85 1 44 VAL HA 1 47 MET HB3 3.850 . 6.000 3.916 3.172 4.740 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
86 1 44 VAL HA 1 47 MET HB2 3.350 . 5.000 2.573 1.899 3.178 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
87 1 44 VAL HA 1 47 MET ME 3.850 . 6.000 3.334 2.188 3.944 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
88 1 60 MET HA 1 63 GLU H 3.200 . 4.700 3.656 3.208 4.340 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
89 1 60 MET HA 1 64 VAL QG 3.690 . 5.670 3.635 2.450 4.205 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
90 1 57 LEU QD 1 60 MET ME 3.850 . 6.000 3.311 2.610 3.700 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
91 1 81 MET ME 1 85 MET ME 3.850 . 6.000 3.513 1.897 4.158 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
92 1 82 VAL HA 1 85 MET ME 3.850 . 6.000 2.739 1.820 4.030 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
93 1 82 VAL QG 1 85 MET ME 3.850 . 6.000 2.928 1.950 3.577 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
94 1 18 ASN HA 1 21 LYS H 2.910 . 4.120 3.440 3.205 3.725 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
95 1 52 PRO QG 1 57 LEU QD 3.850 . 6.000 2.355 1.812 3.346 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
96 1 54 PRO HA 1 57 LEU QB 2.980 . 4.260 2.551 1.870 3.642 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
97 1 54 PRO HA 1 57 LEU H 3.230 . 4.760 3.458 2.999 4.082 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
98 1 54 PRO HA 1 58 GLN H 3.550 . 5.400 4.302 3.670 4.958 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
99 1 16 GLN HA 1 19 GLU H 2.980 . 4.260 3.575 3.152 4.263 0.003 6 0 "[ . 1 . 2 . 3 . 4]" 4
100 1 13 THR H 1 16 GLN QB 3.060 . 4.410 2.361 1.858 3.967 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
101 1 13 THR H 1 16 GLN QG 3.190 . 4.680 3.030 1.866 3.861 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
102 1 50 GLN QB 1 52 PRO QD 2.890 . 4.080 2.272 1.847 3.088 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
103 1 58 GLN HA 1 62 ASP H 3.460 . 5.210 4.021 3.271 4.830 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
104 1 58 GLN HA 1 61 ILE H 3.120 . 4.540 3.511 3.185 4.086 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
105 1 55 GLU HA 1 58 GLN QG 3.850 . 6.000 4.668 3.145 5.349 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
106 1 46 ARG HA 1 49 GLY H 3.250 . 4.790 3.197 2.732 3.637 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
107 1 46 ARG HA 1 50 GLN H 3.260 . 4.820 3.763 1.875 4.829 0.009 10 0 "[ . 1 . 2 . 3 . 4]" 4
108 1 80 MET HA 1 83 ARG QD 3.850 . 6.000 3.946 2.755 5.324 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
109 1 79 VAL MG1 1 83 ARG QD 3.700 . 5.700 3.718 2.521 4.215 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
110 1 37 SER HA 1 39 LYS H 3.200 . 4.700 3.978 3.670 4.380 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
111 1 37 SER QB 1 40 GLU QB 3.410 . 5.120 2.955 1.919 3.782 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
112 1 37 SER QB 1 40 GLU H 3.190 . 4.670 2.880 2.063 3.849 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
113 1 37 SER QB 1 39 LYS H 3.230 . 4.760 3.044 2.281 3.662 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
114 1 69 SER HA 1 71 THR H 3.230 . 4.760 4.575 4.122 4.774 0.014 27 0 "[ . 1 . 2 . 3 . 4]" 4
115 1 69 SER QB 1 71 THR MG 3.850 . 6.000 3.543 2.368 4.339 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
116 1 13 THR HA 1 15 GLU H 3.380 . 5.060 4.486 3.910 5.018 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
117 1 13 THR MG 1 15 GLU H 3.850 . 6.000 4.408 3.657 4.989 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
118 1 13 THR MG 1 16 GLN H 3.850 . 6.000 4.509 4.025 5.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
119 1 38 THR HA 1 40 GLU H 3.300 . 4.900 3.885 3.545 4.368 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
120 1 38 THR HA 1 41 LEU MD1 3.180 . 4.660 3.608 2.997 3.919 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
121 1 44 VAL HA 1 47 MET H 2.870 . 4.040 3.566 3.254 3.876 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
122 1 41 LEU HA 1 44 VAL HB 2.760 . 3.820 2.072 1.874 2.215 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
123 1 41 LEU HA 1 44 VAL MG1 2.760 . 3.820 3.166 2.961 3.204 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
124 1 61 ILE HA 1 64 VAL QG 2.750 . 3.800 2.462 1.823 2.830 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
125 1 72 VAL MG1 1 77 PHE H 2.990 . 4.280 3.606 3.582 3.629 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
126 1 79 VAL HA 1 83 ARG H 3.560 . 5.420 4.444 3.762 5.114 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
127 1 79 VAL HA 1 82 VAL H 3.210 . 4.720 3.640 3.182 4.305 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
128 1 76 GLU HA 1 79 VAL MG2 3.850 . 6.000 2.793 2.108 3.466 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
129 1 82 VAL HA 1 85 MET QG 3.280 . 4.860 2.501 1.838 3.579 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
130 1 79 VAL HA 1 82 VAL QG 3.490 . 5.280 2.092 1.811 3.065 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
131 1 9 VAL HA 1 12 LEU HB2 3.030 . 4.360 3.130 2.340 4.253 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
132 1 9 VAL HA 1 12 LEU H 2.940 . 4.180 3.398 2.963 3.881 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
133 1 9 VAL HA 1 11 GLN H 3.140 . 4.580 4.033 3.411 4.578 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
134 1 20 PHE QD 1 23 ALA MB 3.850 . 6.000 3.147 2.856 3.519 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
135 1 20 PHE QE 1 23 ALA MB 3.850 . 6.000 4.420 4.145 4.469 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
136 1 24 PHE HA 1 27 PHE QD 3.850 . 6.000 3.932 2.734 5.354 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
137 1 24 PHE QD 1 28 VAL QG 3.850 . 6.000 2.942 2.139 3.895 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
138 1 74 PHE HA 1 77 PHE QD 3.850 . 6.000 3.419 2.738 4.126 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
139 1 17 LYS HA 1 20 PHE QD 3.850 . 6.000 3.496 2.206 4.214 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
140 1 72 VAL MG2 1 77 PHE QD 3.850 . 6.000 3.547 2.994 4.097 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
141 1 72 VAL MG1 1 77 PHE QD 3.850 . 6.000 4.404 4.112 4.466 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
142 1 3 ASP QB 1 5 TYR H 3.270 . 4.830 3.581 2.212 4.339 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
143 1 5 TYR HA 1 7 ALA H 3.200 . 4.700 3.987 3.469 4.594 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
144 1 5 TYR HA 1 8 ALA H 3.340 . 4.980 3.240 2.921 3.590 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
145 1 6 LYS HA 1 9 VAL H 2.950 . 4.200 3.913 3.434 4.205 0.005 11 0 "[ . 1 . 2 . 3 . 4]" 4
146 1 7 ALA MB 1 9 VAL H 3.850 . 6.000 4.751 4.322 4.987 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
147 1 8 ALA H 1 10 GLU H 3.450 . 5.200 4.076 3.714 4.464 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
148 1 6 LYS HA 1 10 GLU H 3.350 . 5.000 4.890 4.425 5.014 0.014 2 0 "[ . 1 . 2 . 3 . 4]" 4
149 1 9 VAL H 1 11 GLN H 3.250 . 4.800 4.134 3.888 4.434 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
150 1 10 GLU H 1 12 LEU H 3.350 . 5.000 4.223 3.973 4.654 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
151 1 13 THR H 1 16 GLN H 3.090 . 4.480 3.521 3.105 4.120 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
152 1 13 THR H 1 17 LYS H 3.610 . 5.520 4.150 3.564 5.111 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
153 1 14 GLU H 1 16 GLN H 3.520 . 5.340 4.297 3.860 4.977 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
154 1 15 GLU H 1 17 LYS H 3.660 . 5.620 4.203 3.644 4.818 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
155 1 15 GLU H 1 18 ASN QB 3.850 . 6.000 5.065 4.328 5.354 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
156 1 13 THR HB 1 15 GLU H 2.690 . 3.670 2.927 2.322 3.607 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
157 1 13 THR HG1 1 15 GLU H 3.700 . 5.700 3.752 2.078 5.282 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
158 1 14 GLU HA 1 16 GLN H 3.140 . 4.580 4.336 3.999 4.627 0.047 15 0 "[ . 1 . 2 . 3 . 4]" 4
159 1 13 THR HB 1 16 GLN H 3.080 . 4.460 3.662 2.732 4.218 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
160 1 13 THR HG1 1 16 GLN H 3.130 . 4.560 3.013 1.993 4.247 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
161 1 16 GLN H 1 18 ASN H 3.200 . 4.700 4.094 3.695 4.677 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
162 1 13 THR HA 1 16 GLN H 3.430 . 5.160 4.678 4.400 5.174 0.014 28 0 "[ . 1 . 2 . 3 . 4]" 4
163 1 15 GLU HA 1 18 ASN H 2.920 . 4.130 3.864 3.416 4.151 0.021 29 0 "[ . 1 . 2 . 3 . 4]" 4
164 1 18 ASN H 1 20 PHE H 3.220 . 4.740 4.398 3.889 4.746 0.006 14 0 "[ . 1 . 2 . 3 . 4]" 4
165 1 20 PHE H 1 22 ALA H 3.410 . 5.120 4.322 3.941 4.851 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
166 1 18 ASN HA 1 20 PHE H 3.450 . 5.200 4.530 3.976 5.057 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
167 1 19 GLU H 1 21 LYS H 3.370 . 5.040 4.092 3.672 4.364 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
168 1 19 GLU HA 1 21 LYS H 3.160 . 4.620 4.502 4.005 4.627 0.007 37 0 "[ . 1 . 2 . 3 . 4]" 4
169 1 18 ASN QB 1 21 LYS H 3.660 . 5.620 4.907 4.558 5.020 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
170 1 19 GLU QB 1 21 LYS H 3.850 . 6.000 4.578 4.097 5.312 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
171 1 21 LYS H 1 23 ALA H 3.460 . 5.210 4.139 3.664 4.979 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
172 1 18 ASN HA 1 22 ALA H 3.010 . 4.320 4.233 3.734 4.334 0.014 20 0 "[ . 1 . 2 . 3 . 4]" 4
173 1 20 PHE HA 1 22 ALA H 3.390 . 5.080 4.415 3.996 4.918 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
174 1 21 LYS HA 1 23 ALA H 3.480 . 5.250 4.190 3.596 5.262 0.012 24 0 "[ . 1 . 2 . 3 . 4]" 4
175 1 20 PHE HA 1 23 ALA H 3.140 . 4.580 3.499 3.169 4.116 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
176 1 20 PHE HA 1 24 PHE H 3.310 . 4.910 4.214 3.195 4.929 0.019 20 0 "[ . 1 . 2 . 3 . 4]" 4
177 1 21 LYS HA 1 25 ASP H 3.100 . 4.500 3.651 2.984 4.494 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
178 1 21 LYS QG 1 25 ASP H 3.320 . 4.940 3.958 3.309 4.410 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
179 1 23 ALA HA 1 25 ASP H 3.610 . 5.520 4.876 4.532 5.503 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
180 1 23 ALA HA 1 26 ILE H 3.170 . 4.640 3.913 3.443 4.314 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
181 1 25 ASP HA 1 27 PHE H 2.960 . 4.210 3.493 3.283 3.916 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
182 1 26 ILE HA 1 28 VAL H 3.310 . 4.910 4.269 3.840 4.921 0.011 33 0 "[ . 1 . 2 . 3 . 4]" 4
183 1 25 ASP HA 1 28 VAL H 2.820 . 3.940 3.775 3.070 3.983 0.043 35 0 "[ . 1 . 2 . 3 . 4]" 4
184 1 28 VAL HB 1 30 GLY H 3.820 . 5.940 4.861 3.188 5.963 0.023 11 0 "[ . 1 . 2 . 3 . 4]" 4
185 1 33 ASP HA 1 35 CYS H 3.210 . 4.710 4.557 3.919 4.789 0.079 39 0 "[ . 1 . 2 . 3 . 4]" 4
186 1 37 SER H 1 40 GLU QG 3.210 . 4.710 2.689 1.840 4.065 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
187 1 37 SER H 1 40 GLU QB 2.990 . 4.280 2.775 2.147 3.841 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
188 1 37 SER H 1 40 GLU H 3.400 . 5.100 3.989 3.703 4.308 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
189 1 38 THR H 1 40 GLU H 3.470 . 5.240 4.171 3.854 4.504 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
190 1 39 LYS H 1 41 LEU H 3.420 . 5.140 4.234 3.837 4.624 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
191 1 36 ILE MD 1 40 GLU H 3.850 . 6.000 4.581 4.055 4.979 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
192 1 38 THR HB 1 41 LEU H 3.850 . 6.000 5.389 4.866 5.939 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
193 1 36 ILE QG 1 41 LEU H 3.020 . 4.340 3.803 3.303 3.885 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
194 1 36 ILE MD 1 41 LEU H 3.850 . 6.000 3.074 2.231 3.633 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
195 1 39 LYS HA 1 41 LEU H 3.220 . 4.740 4.534 4.294 4.747 0.007 2 0 "[ . 1 . 2 . 3 . 4]" 4
196 1 41 LEU H 1 44 VAL MG2 3.850 . 6.000 4.453 4.098 4.845 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
197 1 40 GLU HA 1 43 LYS H 3.060 . 4.420 3.664 3.359 4.103 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
198 1 43 LYS H 1 45 MET H 3.480 . 5.260 4.263 4.030 4.536 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
199 1 44 VAL H 1 46 ARG H 3.400 . 5.090 4.209 3.830 4.528 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
200 1 44 VAL H 1 46 ARG QG 3.480 . 5.260 4.334 3.951 4.688 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
201 1 40 GLU HA 1 44 VAL H 3.720 . 5.740 4.740 4.294 5.238 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
202 1 43 LYS HA 1 46 ARG H 2.720 . 3.740 3.595 3.298 3.744 0.004 5 0 "[ . 1 . 2 . 3 . 4]" 4
203 1 44 VAL HA 1 46 ARG H 3.390 . 5.080 4.539 3.924 5.088 0.008 3 0 "[ . 1 . 2 . 3 . 4]" 4
204 1 43 LYS HA 1 47 MET H 3.170 . 4.640 4.400 3.624 4.645 0.005 16 0 "[ . 1 . 2 . 3 . 4]" 4
205 1 48 LEU H 1 50 GLN H 3.230 . 4.750 4.159 3.507 4.756 0.006 20 0 "[ . 1 . 2 . 3 . 4]" 4
206 1 44 VAL MG1 1 48 LEU H 3.850 . 6.000 4.758 4.041 4.994 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
207 1 46 ARG HA 1 48 LEU H 3.140 . 4.580 3.988 3.457 4.593 0.013 8 0 "[ . 1 . 2 . 3 . 4]" 4
208 1 44 VAL HA 1 48 LEU H 3.480 . 5.260 4.883 3.967 5.196 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
209 1 45 MET HA 1 49 GLY H 3.630 . 5.560 4.797 3.574 5.518 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
210 1 53 THR H 1 56 GLU H 3.250 . 4.790 4.339 3.707 4.806 0.016 33 0 "[ . 1 . 2 . 3 . 4]" 4
211 1 53 THR H 1 57 LEU H 3.620 . 5.540 4.710 3.853 5.443 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
212 1 55 GLU H 1 58 GLN H 3.830 . 5.960 5.308 4.875 5.857 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
213 1 53 THR MG 1 55 GLU H 3.850 . 6.000 3.472 1.824 4.740 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
214 1 55 GLU H 1 57 LEU H 3.610 . 5.520 4.208 3.663 4.821 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
215 1 53 THR HA 1 55 GLU H 3.420 . 5.140 4.188 3.808 4.805 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
216 1 53 THR MG 1 56 GLU H 3.850 . 6.000 3.327 1.786 4.793 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
217 1 56 GLU H 1 58 GLN H 3.500 . 5.290 4.401 3.675 5.177 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
218 1 53 THR HA 1 56 GLU H 3.850 . 6.000 4.772 4.430 5.090 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
219 1 54 PRO HA 1 56 GLU H 3.770 . 5.840 4.146 3.689 4.714 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
220 1 58 GLN H 1 61 ILE MD 3.460 . 5.220 3.514 2.748 4.284 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
221 1 61 ILE H 1 63 GLU H 3.460 . 5.210 4.414 3.691 5.195 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
222 1 62 ASP H 1 65 ASP QB 3.640 . 5.580 4.796 4.285 4.990 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
223 1 63 GLU H 1 65 ASP H 3.270 . 4.840 3.994 3.353 4.589 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
224 1 60 MET HA 1 64 VAL H 3.390 . 5.080 4.283 3.351 5.056 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
225 1 61 ILE HA 1 65 ASP H 3.060 . 4.420 2.943 2.316 3.566 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
226 1 63 GLU HA 1 65 ASP H 3.290 . 4.880 4.763 4.372 4.923 0.043 28 0 "[ . 1 . 2 . 3 . 4]" 4
227 1 64 VAL QG 1 66 GLU H 3.850 . 6.000 4.113 3.577 4.452 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
228 1 64 VAL HA 1 66 GLU H 3.310 . 4.920 4.154 3.562 4.924 0.004 22 0 "[ . 1 . 2 . 3 . 4]" 4
229 1 67 ASP H 1 69 SER H 3.270 . 4.840 4.262 3.226 4.846 0.006 38 0 "[ . 1 . 2 . 3 . 4]" 4
230 1 65 ASP HA 1 67 ASP H 3.060 . 4.420 3.489 2.969 4.386 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
231 1 66 GLU QB 1 68 GLY H 3.850 . 6.000 4.697 4.086 5.411 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
232 1 65 ASP QB 1 68 GLY H 3.760 . 5.820 3.582 2.443 5.125 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
233 1 68 GLY H 1 70 GLY H 3.850 . 6.000 4.360 3.467 5.447 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
234 1 66 GLU HA 1 68 GLY H 3.490 . 5.280 4.306 3.468 5.244 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
235 1 65 ASP HA 1 68 GLY H 3.810 . 5.920 3.722 2.811 5.813 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
236 1 65 ASP QB 1 70 GLY H 3.470 . 5.240 3.110 1.909 4.063 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
237 1 69 SER H 1 71 THR H 3.230 . 4.750 3.743 2.488 4.737 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
238 1 73 ASP H 1 77 PHE H 3.290 . 4.880 3.090 2.461 3.522 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
239 1 73 ASP H 1 76 GLU QG 3.040 . 4.370 2.742 1.851 3.733 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
240 1 73 ASP H 1 76 GLU H 3.000 . 4.290 2.795 2.607 2.969 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
241 1 74 PHE H 1 76 GLU H 3.370 . 5.040 4.482 4.221 4.897 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
242 1 73 ASP QB 1 75 ASP H 3.080 . 4.460 2.535 2.114 3.227 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
243 1 73 ASP HA 1 75 ASP H 3.230 . 4.750 4.156 4.015 4.545 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
244 1 72 VAL MG1 1 76 GLU H 3.620 . 5.540 4.635 4.555 4.663 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
245 1 75 ASP H 1 77 PHE H 3.210 . 4.720 4.127 3.835 4.446 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
246 1 72 VAL HB 1 77 PHE H 3.190 . 4.680 2.621 2.417 2.783 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
247 1 77 PHE H 1 80 MET H 3.440 . 5.180 4.868 4.601 5.186 0.006 11 0 "[ . 1 . 2 . 3 . 4]" 4
248 1 74 PHE QD 1 78 LEU H 3.810 . 5.920 4.797 3.307 5.272 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
249 1 77 PHE H 1 79 VAL H 3.850 . 6.000 4.475 4.302 4.726 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
250 1 76 GLU HA 1 79 VAL H 3.100 . 4.500 3.513 3.092 3.910 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
251 1 78 LEU H 1 80 MET H 3.460 . 5.210 4.294 3.745 4.783 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
252 1 76 GLU HA 1 80 MET H 3.360 . 5.020 4.166 3.458 4.779 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
253 1 79 VAL H 1 81 MET H 3.210 . 4.720 4.117 3.840 4.452 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
254 1 79 VAL MG1 1 83 ARG H 3.850 . 6.000 4.442 3.647 4.879 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
255 1 80 MET HA 1 83 ARG H 3.040 . 4.380 3.727 3.378 4.014 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
256 1 81 MET HA 1 83 ARG H 3.600 . 5.500 3.924 3.607 4.550 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
257 1 80 MET HA 1 84 CYS H 3.450 . 5.200 4.685 3.911 5.190 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
258 1 81 MET HA 1 84 CYS H 2.930 . 4.160 3.529 2.906 4.145 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
259 1 8 ALA HA 1 11 GLN HE22 3.850 . 6.000 4.602 2.065 5.937 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
260 1 12 LEU MD2 1 16 GLN HE21 3.850 . 6.000 3.483 1.761 4.912 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
261 1 12 LEU MD2 1 16 GLN HE22 3.850 . 6.000 3.385 2.116 4.841 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
262 1 15 GLU HA 1 18 ASN HD21 3.540 . 5.370 3.223 1.888 5.244 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
263 1 14 GLU QG 1 18 ASN HD21 3.850 . 6.000 4.458 2.424 5.351 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
264 1 15 GLU HA 1 18 ASN HD22 3.390 . 5.080 4.470 1.950 5.100 0.020 2 0 "[ . 1 . 2 . 3 . 4]" 4
265 1 58 GLN HE22 1 61 ILE MG 3.850 . 6.000 4.108 2.546 4.978 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
266 1 58 GLN HE22 1 61 ILE MD 3.850 . 6.000 4.015 2.345 4.985 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
267 1 58 GLN HE21 1 61 ILE MD 3.850 . 6.000 3.464 2.098 4.742 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
268 1 58 GLN HE21 1 61 ILE MG 3.620 . 5.540 3.874 2.799 4.609 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
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