NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
306486 |
1p9j   |
5801 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1p9j
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 472
_Distance_constraint_stats_list.Viol_count 1297
_Distance_constraint_stats_list.Viol_total 3545.339
_Distance_constraint_stats_list.Viol_max 0.724
_Distance_constraint_stats_list.Viol_rms 0.0298
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0058
_Distance_constraint_stats_list.Viol_average_violations_only 0.0759
_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 VAL 9.019 0.724 4 12 "[ +* -*** . * 2 ** *** . ]"
1 2 VAL 3.762 0.221 6 0 "[ . 1 . 2 . 3 . ]"
1 3 SER 0.043 0.021 1 0 "[ . 1 . 2 . 3 . ]"
1 4 HIS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
1 5 PHE 1.677 0.169 21 0 "[ . 1 . 2 . 3 . ]"
1 6 ASN 0.387 0.141 9 0 "[ . 1 . 2 . 3 . ]"
1 7 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
1 8 CYS 0.307 0.110 14 0 "[ . 1 . 2 . 3 . ]"
1 9 PRO 1.199 0.110 14 0 "[ . 1 . 2 . 3 . ]"
1 10 LEU 2.668 0.143 8 0 "[ . 1 . 2 . 3 . ]"
1 11 SER 1.776 0.143 8 0 "[ . 1 . 2 . 3 . ]"
1 13 ASP 0.344 0.089 16 0 "[ . 1 . 2 . 3 . ]"
1 14 GLY 0.010 0.005 1 0 "[ . 1 . 2 . 3 . ]"
1 15 TYR 2.528 0.161 19 0 "[ . 1 . 2 . 3 . ]"
1 16 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
1 17 LEU 5.501 0.142 5 0 "[ . 1 . 2 . 3 . ]"
1 18 HIS 2.160 0.175 9 0 "[ . 1 . 2 . 3 . ]"
1 19 ASP 0.153 0.056 8 0 "[ . 1 . 2 . 3 . ]"
1 20 GLY 1.297 0.089 16 0 "[ . 1 . 2 . 3 . ]"
1 21 VAL 2.766 0.126 21 0 "[ . 1 . 2 . 3 . ]"
1 22 CYS 0.933 0.073 11 0 "[ . 1 . 2 . 3 . ]"
1 23 MET 2.280 0.145 12 0 "[ . 1 . 2 . 3 . ]"
1 24 TYR 3.239 0.194 13 0 "[ . 1 . 2 . 3 . ]"
1 25 ILE 9.431 0.303 15 0 "[ . 1 . 2 . 3 . ]"
1 26 GLU 1.045 0.096 19 0 "[ . 1 . 2 . 3 . ]"
1 27 ALA 3.685 0.140 21 0 "[ . 1 . 2 . 3 . ]"
1 28 LEU 6.174 0.172 11 0 "[ . 1 . 2 . 3 . ]"
1 29 ASP 0.309 0.083 20 0 "[ . 1 . 2 . 3 . ]"
1 30 LYS 10.114 0.235 21 0 "[ . 1 . 2 . 3 . ]"
1 31 TYR 9.200 0.235 21 0 "[ . 1 . 2 . 3 . ]"
1 32 ALA 2.666 0.150 15 0 "[ . 1 . 2 . 3 . ]"
1 33 CYS 0.038 0.038 22 0 "[ . 1 . 2 . 3 . ]"
1 34 ASN 0.169 0.060 9 0 "[ . 1 . 2 . 3 . ]"
1 35 CYS 1.074 0.165 6 0 "[ . 1 . 2 . 3 . ]"
1 36 VAL 4.295 0.213 15 0 "[ . 1 . 2 . 3 . ]"
1 37 VAL 3.801 0.213 15 0 "[ . 1 . 2 . 3 . ]"
1 38 GLY 0.277 0.139 11 0 "[ . 1 . 2 . 3 . ]"
1 39 TYR 6.369 0.165 6 0 "[ . 1 . 2 . 3 . ]"
1 40 ILE 3.782 0.144 9 0 "[ . 1 . 2 . 3 . ]"
1 41 GLY 0.469 0.091 14 0 "[ . 1 . 2 . 3 . ]"
1 42 GLU 1.854 0.173 20 0 "[ . 1 . 2 . 3 . ]"
1 43 ARG 4.512 0.187 13 0 "[ . 1 . 2 . 3 . ]"
1 44 CYS 0.317 0.128 11 0 "[ . 1 . 2 . 3 . ]"
1 45 GLN 11.111 0.260 20 0 "[ . 1 . 2 . 3 . ]"
1 46 TYR 5.367 0.260 20 0 "[ . 1 . 2 . 3 . ]"
1 47 ARG 0.557 0.100 2 0 "[ . 1 . 2 . 3 . ]"
1 48 ASP 0.766 0.141 11 0 "[ . 1 . 2 . 3 . ]"
1 49 LEU 0.261 0.064 3 0 "[ . 1 . 2 . 3 . ]"
1 50 LYS 6.593 0.231 22 0 "[ . 1 . 2 . 3 . ]"
1 51 TRP 6.913 0.178 20 0 "[ . 1 . 2 . 3 . ]"
1 52 TRP 6.378 0.178 20 0 "[ . 1 . 2 . 3 . ]"
1 53 GLU 3.310 0.171 11 0 "[ . 1 . 2 . 3 . ]"
1 54 LEU 1.558 0.171 11 0 "[ . 1 . 2 . 3 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 VAL H1 1 1 VAL HA 5.000 . 5.000 2.494 2.126 2.941 . 0 0 "[ . 1 . 2 . 3 . ]" 1
2 1 1 VAL H1 1 1 VAL HB 3.500 . 3.500 3.337 2.234 4.224 0.724 4 12 "[ +* -*** . * 2 ** *** . ]" 1
3 1 1 VAL H1 1 1 VAL QG 5.000 . 5.000 2.655 1.857 3.308 . 0 0 "[ . 1 . 2 . 3 . ]" 1
4 1 2 VAL H 1 2 VAL HA 2.800 . 2.800 2.878 2.840 2.916 0.116 21 0 "[ . 1 . 2 . 3 . ]" 1
5 1 2 VAL H 1 2 VAL HB 3.500 . 3.500 2.788 2.304 3.721 0.221 6 0 "[ . 1 . 2 . 3 . ]" 1
6 1 2 VAL H 1 2 VAL QG 3.500 . 3.500 2.298 1.835 3.024 . 0 0 "[ . 1 . 2 . 3 . ]" 1
7 1 2 VAL H 1 28 LEU QD 7.000 . 7.000 3.780 1.801 7.115 0.115 1 0 "[ . 1 . 2 . 3 . ]" 1
8 1 2 VAL HA 1 3 SER H 3.500 . 3.500 2.207 2.104 2.480 . 0 0 "[ . 1 . 2 . 3 . ]" 1
9 1 2 VAL HB 1 3 SER H 5.000 . 5.000 4.159 2.856 4.445 . 0 0 "[ . 1 . 2 . 3 . ]" 1
10 1 2 VAL QG 1 3 SER H 5.000 . 5.000 2.775 2.090 3.553 . 0 0 "[ . 1 . 2 . 3 . ]" 1
11 1 3 SER H 1 28 LEU QD 7.000 . 7.000 5.090 3.829 7.021 0.021 1 0 "[ . 1 . 2 . 3 . ]" 1
12 1 4 HIS H 1 4 HIS HD1 5.000 . 5.000 3.696 2.357 4.588 . 0 0 "[ . 1 . 2 . 3 . ]" 1
13 1 5 PHE H 1 5 PHE QD 5.000 . 5.000 3.500 2.565 4.236 . 0 0 "[ . 1 . 2 . 3 . ]" 1
14 1 5 PHE H 1 6 ASN H 5.000 . 5.000 4.465 4.304 4.573 . 0 0 "[ . 1 . 2 . 3 . ]" 1
15 1 5 PHE HA 1 5 PHE QD 3.500 . 3.500 2.879 2.165 3.669 0.169 21 0 "[ . 1 . 2 . 3 . ]" 1
16 1 5 PHE HA 1 6 ASN H 2.800 . 2.800 2.232 2.087 2.398 . 0 0 "[ . 1 . 2 . 3 . ]" 1
17 1 5 PHE QB 1 5 PHE QD 2.800 . 2.800 2.117 2.098 2.145 . 0 0 "[ . 1 . 2 . 3 . ]" 1
18 1 5 PHE QB 1 6 ASN H 5.000 . 5.000 3.308 2.396 3.940 . 0 0 "[ . 1 . 2 . 3 . ]" 1
19 1 5 PHE QD 1 23 MET QB 5.000 . 5.000 4.352 2.877 5.098 0.098 1 0 "[ . 1 . 2 . 3 . ]" 1
20 1 5 PHE QD 1 23 MET QG 7.000 . 7.000 4.840 3.044 6.452 . 0 0 "[ . 1 . 2 . 3 . ]" 1
21 1 5 PHE QE 1 23 MET QB 7.000 . 7.000 4.203 2.511 5.960 . 0 0 "[ . 1 . 2 . 3 . ]" 1
22 1 5 PHE QE 1 23 MET QG 5.000 . 5.000 4.605 2.295 5.073 0.073 9 0 "[ . 1 . 2 . 3 . ]" 1
23 1 6 ASN H 1 7 ASP H 7.000 . 7.000 4.384 3.782 4.548 . 0 0 "[ . 1 . 2 . 3 . ]" 1
24 1 6 ASN H 1 24 TYR H 7.000 . 7.000 5.313 3.218 7.052 0.052 13 0 "[ . 1 . 2 . 3 . ]" 1
25 1 6 ASN HA 1 7 ASP H 3.500 . 3.500 2.374 2.057 2.615 . 0 0 "[ . 1 . 2 . 3 . ]" 1
26 1 6 ASN QB 1 7 ASP H 5.000 . 5.000 2.637 2.057 3.731 . 0 0 "[ . 1 . 2 . 3 . ]" 1
27 1 6 ASN QB 1 24 TYR H 7.000 . 7.000 4.716 3.003 6.533 . 0 0 "[ . 1 . 2 . 3 . ]" 1
28 1 6 ASN QB 1 24 TYR QD 7.000 . 7.000 5.467 2.207 7.141 0.141 9 0 "[ . 1 . 2 . 3 . ]" 1
29 1 7 ASP H 1 8 CYS H 5.000 . 5.000 4.394 3.538 4.589 . 0 0 "[ . 1 . 2 . 3 . ]" 1
30 1 7 ASP QB 1 8 CYS H 7.000 . 7.000 2.666 1.952 4.081 . 0 0 "[ . 1 . 2 . 3 . ]" 1
31 1 8 CYS HA 1 9 PRO QD 3.500 . 3.500 2.246 1.947 3.610 0.110 14 0 "[ . 1 . 2 . 3 . ]" 1
32 1 9 PRO HA 1 10 LEU H 3.500 . 3.500 2.894 2.172 3.584 0.084 13 0 "[ . 1 . 2 . 3 . ]" 1
33 1 9 PRO QB 1 10 LEU H 7.000 . 7.000 2.720 2.219 4.106 . 0 0 "[ . 1 . 2 . 3 . ]" 1
34 1 9 PRO QB 1 11 SER H 7.000 . 7.000 3.796 2.368 5.196 . 0 0 "[ . 1 . 2 . 3 . ]" 1
35 1 10 LEU H 1 10 LEU QB 2.800 . 2.800 2.395 2.085 2.737 . 0 0 "[ . 1 . 2 . 3 . ]" 1
36 1 10 LEU H 1 11 SER H 7.000 . 7.000 2.755 2.407 3.289 . 0 0 "[ . 1 . 2 . 3 . ]" 1
37 1 10 LEU HA 1 11 SER H 3.500 . 3.500 3.519 3.353 3.573 0.073 6 0 "[ . 1 . 2 . 3 . ]" 1
38 1 10 LEU QB 1 10 LEU QD 2.800 . 2.800 1.970 1.906 2.108 . 0 0 "[ . 1 . 2 . 3 . ]" 1
39 1 10 LEU QB 1 11 SER H 3.500 . 3.500 2.891 2.257 3.643 0.143 8 0 "[ . 1 . 2 . 3 . ]" 1
40 1 10 LEU QD 1 11 SER H 7.000 . 7.000 3.462 2.046 4.268 . 0 0 "[ . 1 . 2 . 3 . ]" 1
41 1 13 ASP H 1 14 GLY H 7.000 . 7.000 4.445 2.948 4.618 . 0 0 "[ . 1 . 2 . 3 . ]" 1
42 1 13 ASP HA 1 13 ASP QB 2.800 . 2.800 2.362 2.158 2.547 . 0 0 "[ . 1 . 2 . 3 . ]" 1
43 1 13 ASP HA 1 14 GLY H 2.800 . 2.800 2.333 2.112 2.805 0.005 1 0 "[ . 1 . 2 . 3 . ]" 1
44 1 13 ASP HA 1 14 GLY QA 7.000 . 7.000 3.859 3.691 4.207 . 0 0 "[ . 1 . 2 . 3 . ]" 1
45 1 13 ASP HA 1 15 TYR H 5.000 . 5.000 4.249 3.722 5.020 0.020 21 0 "[ . 1 . 2 . 3 . ]" 1
46 1 13 ASP HA 1 15 TYR QB 7.000 . 7.000 5.558 4.894 6.703 . 0 0 "[ . 1 . 2 . 3 . ]" 1
47 1 13 ASP QB 1 14 GLY H 7.000 . 7.000 2.907 2.394 4.092 . 0 0 "[ . 1 . 2 . 3 . ]" 1
48 1 13 ASP QB 1 20 GLY H 7.000 . 7.000 5.583 2.337 7.089 0.089 16 0 "[ . 1 . 2 . 3 . ]" 1
49 1 14 GLY H 1 14 GLY QA 2.800 . 2.800 2.366 2.122 2.481 . 0 0 "[ . 1 . 2 . 3 . ]" 1
50 1 14 GLY H 1 15 TYR H 5.000 . 5.000 2.389 1.699 3.196 . 0 0 "[ . 1 . 2 . 3 . ]" 1
51 1 14 GLY QA 1 15 TYR H 3.500 . 3.500 2.627 2.274 2.926 . 0 0 "[ . 1 . 2 . 3 . ]" 1
52 1 14 GLY QA 1 16 CYS H 5.000 . 5.000 4.125 3.574 4.606 . 0 0 "[ . 1 . 2 . 3 . ]" 1
53 1 15 TYR H 1 15 TYR QB 3.500 . 3.500 2.229 2.114 2.491 . 0 0 "[ . 1 . 2 . 3 . ]" 1
54 1 15 TYR H 1 15 TYR QD 5.000 . 5.000 4.011 1.831 4.198 . 0 0 "[ . 1 . 2 . 3 . ]" 1
55 1 15 TYR H 1 15 TYR QE 7.000 . 7.000 6.018 3.671 6.179 . 0 0 "[ . 1 . 2 . 3 . ]" 1
56 1 15 TYR H 1 16 CYS H 5.000 . 5.000 2.511 2.188 2.871 . 0 0 "[ . 1 . 2 . 3 . ]" 1
57 1 15 TYR H 1 16 CYS QB 5.000 . 5.000 4.574 4.024 4.997 . 0 0 "[ . 1 . 2 . 3 . ]" 1
58 1 15 TYR H 1 17 LEU QD 7.000 . 7.000 5.053 3.899 6.313 . 0 0 "[ . 1 . 2 . 3 . ]" 1
59 1 15 TYR HA 1 15 TYR QD 3.500 . 3.500 2.503 2.120 3.661 0.161 19 0 "[ . 1 . 2 . 3 . ]" 1
60 1 15 TYR HA 1 16 CYS H 5.000 . 5.000 3.561 3.463 3.660 . 0 0 "[ . 1 . 2 . 3 . ]" 1
61 1 15 TYR QB 1 15 TYR QD 2.800 . 2.800 2.134 2.105 2.172 . 0 0 "[ . 1 . 2 . 3 . ]" 1
62 1 15 TYR QB 1 16 CYS H 5.000 . 5.000 2.765 2.479 3.378 . 0 0 "[ . 1 . 2 . 3 . ]" 1
63 1 15 TYR QD 1 16 CYS H 7.000 . 7.000 4.024 2.946 4.787 . 0 0 "[ . 1 . 2 . 3 . ]" 1
64 1 15 TYR QD 1 16 CYS HA 7.000 . 7.000 4.151 3.089 4.895 . 0 0 "[ . 1 . 2 . 3 . ]" 1
65 1 15 TYR QD 1 17 LEU QD 7.000 . 7.000 4.538 4.140 4.823 . 0 0 "[ . 1 . 2 . 3 . ]" 1
66 1 15 TYR QE 1 17 LEU QD 5.000 . 5.000 5.049 4.775 5.142 0.142 5 0 "[ . 1 . 2 . 3 . ]" 1
67 1 16 CYS HA 1 17 LEU H 2.800 . 2.800 2.194 2.062 2.312 . 0 0 "[ . 1 . 2 . 3 . ]" 1
68 1 16 CYS HA 1 17 LEU QB 5.000 . 5.000 4.270 4.018 4.563 . 0 0 "[ . 1 . 2 . 3 . ]" 1
69 1 16 CYS QB 1 17 LEU H 7.000 . 7.000 3.350 2.797 3.998 . 0 0 "[ . 1 . 2 . 3 . ]" 1
70 1 17 LEU H 1 17 LEU QB 3.500 . 3.500 2.525 2.074 3.233 . 0 0 "[ . 1 . 2 . 3 . ]" 1
71 1 17 LEU H 1 17 LEU QD 3.500 . 3.500 2.520 1.823 3.143 . 0 0 "[ . 1 . 2 . 3 . ]" 1
72 1 17 LEU H 1 18 HIS H 7.000 . 7.000 4.461 4.308 4.556 . 0 0 "[ . 1 . 2 . 3 . ]" 1
73 1 17 LEU H 1 43 ARG QB 5.000 . 5.000 3.605 2.803 4.932 . 0 0 "[ . 1 . 2 . 3 . ]" 1
74 1 17 LEU H 1 44 CYS QB 7.000 . 7.000 3.994 2.932 5.287 . 0 0 "[ . 1 . 2 . 3 . ]" 1
75 1 17 LEU HA 1 18 HIS H 2.800 . 2.800 2.358 2.211 2.593 . 0 0 "[ . 1 . 2 . 3 . ]" 1
76 1 17 LEU HA 1 18 HIS HA 7.000 . 7.000 4.319 4.124 4.544 . 0 0 "[ . 1 . 2 . 3 . ]" 1
77 1 17 LEU HA 1 19 ASP H 5.000 . 5.000 3.571 3.053 4.418 . 0 0 "[ . 1 . 2 . 3 . ]" 1
78 1 17 LEU HA 1 45 GLN QE 7.000 . 7.000 6.697 5.825 7.109 0.109 14 0 "[ . 1 . 2 . 3 . ]" 1
79 1 17 LEU QB 1 18 HIS H 5.000 . 5.000 2.331 2.115 2.609 . 0 0 "[ . 1 . 2 . 3 . ]" 1
80 1 17 LEU QB 1 19 ASP H 5.000 . 5.000 4.683 4.296 5.056 0.056 8 0 "[ . 1 . 2 . 3 . ]" 1
81 1 17 LEU QD 1 18 HIS H 3.500 . 3.500 3.308 2.374 3.620 0.120 8 0 "[ . 1 . 2 . 3 . ]" 1
82 1 17 LEU QD 1 43 ARG H 7.000 . 7.000 4.761 4.305 5.993 . 0 0 "[ . 1 . 2 . 3 . ]" 1
83 1 17 LEU QD 1 43 ARG HA 5.000 . 5.000 4.195 3.542 5.063 0.063 1 0 "[ . 1 . 2 . 3 . ]" 1
84 1 17 LEU QD 1 43 ARG QB 5.000 . 5.000 2.467 1.933 4.129 . 0 0 "[ . 1 . 2 . 3 . ]" 1
85 1 17 LEU QD 1 43 ARG QD 7.000 . 7.000 2.892 1.925 4.619 . 0 0 "[ . 1 . 2 . 3 . ]" 1
86 1 17 LEU QD 1 43 ARG HE 5.000 . 5.000 3.698 2.385 5.011 0.011 16 0 "[ . 1 . 2 . 3 . ]" 1
87 1 17 LEU QD 1 43 ARG QG 7.000 . 7.000 2.467 1.969 3.556 . 0 0 "[ . 1 . 2 . 3 . ]" 1
88 1 17 LEU QD 1 45 GLN H 5.000 . 5.000 4.491 3.748 5.048 0.048 19 0 "[ . 1 . 2 . 3 . ]" 1
89 1 17 LEU QD 1 45 GLN QB 3.500 . 3.500 3.095 2.055 3.597 0.097 21 0 "[ . 1 . 2 . 3 . ]" 1
90 1 17 LEU QD 1 45 GLN QE 5.000 . 5.000 2.594 1.959 3.654 . 0 0 "[ . 1 . 2 . 3 . ]" 1
91 1 17 LEU QD 1 45 GLN QG 5.000 . 5.000 3.046 1.903 4.556 . 0 0 "[ . 1 . 2 . 3 . ]" 1
92 1 18 HIS H 1 18 HIS HA 2.800 . 2.800 2.147 2.105 2.216 . 0 0 "[ . 1 . 2 . 3 . ]" 1
93 1 18 HIS H 1 19 ASP H 3.500 . 3.500 2.839 2.472 3.238 . 0 0 "[ . 1 . 2 . 3 . ]" 1
94 1 18 HIS H 1 19 ASP HA 7.000 . 7.000 4.937 4.532 5.365 . 0 0 "[ . 1 . 2 . 3 . ]" 1
95 1 18 HIS H 1 45 GLN QE 7.000 . 7.000 6.721 4.825 7.175 0.175 9 0 "[ . 1 . 2 . 3 . ]" 1
96 1 18 HIS HA 1 19 ASP H 3.500 . 3.500 2.690 2.373 2.937 . 0 0 "[ . 1 . 2 . 3 . ]" 1
97 1 18 HIS QB 1 19 ASP H 7.000 . 7.000 3.961 3.776 4.092 . 0 0 "[ . 1 . 2 . 3 . ]" 1
98 1 18 HIS QB 1 20 GLY H 7.000 . 7.000 5.055 4.178 5.849 . 0 0 "[ . 1 . 2 . 3 . ]" 1
99 1 19 ASP H 1 19 ASP HA 2.800 . 2.800 2.140 2.097 2.169 . 0 0 "[ . 1 . 2 . 3 . ]" 1
100 1 19 ASP H 1 19 ASP QB 3.500 . 3.500 3.055 2.518 3.400 . 0 0 "[ . 1 . 2 . 3 . ]" 1
101 1 19 ASP H 1 20 GLY H 3.500 . 3.500 3.025 2.445 3.443 . 0 0 "[ . 1 . 2 . 3 . ]" 1
102 1 19 ASP HA 1 20 GLY H 3.500 . 3.500 2.404 2.173 2.855 . 0 0 "[ . 1 . 2 . 3 . ]" 1
103 1 19 ASP QB 1 20 GLY H 5.000 . 5.000 4.012 3.788 4.141 . 0 0 "[ . 1 . 2 . 3 . ]" 1
104 1 20 GLY H 1 21 VAL H 7.000 . 7.000 4.589 4.448 4.668 . 0 0 "[ . 1 . 2 . 3 . ]" 1
105 1 20 GLY H 1 36 VAL QG 7.000 . 7.000 5.718 4.029 6.434 . 0 0 "[ . 1 . 2 . 3 . ]" 1
106 1 20 GLY QA 1 21 VAL H 3.500 . 3.500 2.232 2.102 2.352 . 0 0 "[ . 1 . 2 . 3 . ]" 1
107 1 20 GLY QA 1 22 CYS QB 5.000 . 5.000 4.846 4.001 5.073 0.073 11 0 "[ . 1 . 2 . 3 . ]" 1
108 1 20 GLY QA 1 36 VAL H 5.000 . 5.000 4.655 3.872 5.058 0.058 4 0 "[ . 1 . 2 . 3 . ]" 1
109 1 21 VAL H 1 21 VAL HA 2.800 . 2.800 2.872 2.849 2.926 0.126 21 0 "[ . 1 . 2 . 3 . ]" 1
110 1 21 VAL H 1 21 VAL HB 3.500 . 3.500 2.485 2.312 2.602 . 0 0 "[ . 1 . 2 . 3 . ]" 1
111 1 21 VAL H 1 21 VAL QG 3.500 . 3.500 2.253 2.098 2.579 . 0 0 "[ . 1 . 2 . 3 . ]" 1
112 1 21 VAL H 1 22 CYS H 7.000 . 7.000 4.221 3.935 4.480 . 0 0 "[ . 1 . 2 . 3 . ]" 1
113 1 21 VAL H 1 34 ASN H 5.000 . 5.000 3.318 2.947 3.694 . 0 0 "[ . 1 . 2 . 3 . ]" 1
114 1 21 VAL HA 1 21 VAL QG 2.800 . 2.800 2.086 2.053 2.134 . 0 0 "[ . 1 . 2 . 3 . ]" 1
115 1 21 VAL HA 1 22 CYS H 2.800 . 2.800 2.192 2.096 2.261 . 0 0 "[ . 1 . 2 . 3 . ]" 1
116 1 21 VAL HA 1 34 ASN H 7.000 . 7.000 4.624 4.475 4.813 . 0 0 "[ . 1 . 2 . 3 . ]" 1
117 1 21 VAL HB 1 22 CYS H 5.000 . 5.000 4.435 4.181 4.570 . 0 0 "[ . 1 . 2 . 3 . ]" 1
118 1 21 VAL HB 1 34 ASN H 5.000 . 5.000 3.060 2.616 4.058 . 0 0 "[ . 1 . 2 . 3 . ]" 1
119 1 21 VAL HB 1 34 ASN QB 3.500 . 3.500 2.343 2.096 3.008 . 0 0 "[ . 1 . 2 . 3 . ]" 1
120 1 21 VAL QG 1 22 CYS H 3.500 . 3.500 3.126 2.639 3.405 . 0 0 "[ . 1 . 2 . 3 . ]" 1
121 1 21 VAL QG 1 23 MET QG 7.000 . 7.000 3.478 2.217 5.236 . 0 0 "[ . 1 . 2 . 3 . ]" 1
122 1 21 VAL QG 1 34 ASN H 5.000 . 5.000 3.658 3.304 4.255 . 0 0 "[ . 1 . 2 . 3 . ]" 1
123 1 21 VAL QG 1 34 ASN QB 5.000 . 5.000 3.008 2.287 3.700 . 0 0 "[ . 1 . 2 . 3 . ]" 1
124 1 21 VAL QG 1 34 ASN QD 5.000 . 5.000 4.010 2.778 5.060 0.060 9 0 "[ . 1 . 2 . 3 . ]" 1
125 1 22 CYS H 1 22 CYS QB 2.800 . 2.800 2.529 2.039 2.853 0.053 5 0 "[ . 1 . 2 . 3 . ]" 1
126 1 22 CYS H 1 23 MET H 7.000 . 7.000 4.550 4.387 4.623 . 0 0 "[ . 1 . 2 . 3 . ]" 1
127 1 22 CYS HA 1 23 MET H 2.800 . 2.800 2.208 2.063 2.362 . 0 0 "[ . 1 . 2 . 3 . ]" 1
128 1 22 CYS QB 1 23 MET H 7.000 . 7.000 3.186 2.557 3.971 . 0 0 "[ . 1 . 2 . 3 . ]" 1
129 1 23 MET H 1 23 MET QB 3.500 . 3.500 2.948 2.536 3.393 . 0 0 "[ . 1 . 2 . 3 . ]" 1
130 1 23 MET H 1 23 MET QG 5.000 . 5.000 2.793 2.193 3.215 . 0 0 "[ . 1 . 2 . 3 . ]" 1
131 1 23 MET H 1 24 TYR H 7.000 . 7.000 4.094 3.772 4.406 . 0 0 "[ . 1 . 2 . 3 . ]" 1
132 1 23 MET H 1 32 ALA MB 5.000 . 5.000 3.958 3.239 4.311 . 0 0 "[ . 1 . 2 . 3 . ]" 1
133 1 23 MET H 1 33 CYS HA 7.000 . 7.000 3.443 3.159 3.906 . 0 0 "[ . 1 . 2 . 3 . ]" 1
134 1 23 MET HA 1 23 MET QB 2.800 . 2.800 2.263 2.089 2.412 . 0 0 "[ . 1 . 2 . 3 . ]" 1
135 1 23 MET HA 1 23 MET QG 3.500 . 3.500 2.946 2.342 3.497 . 0 0 "[ . 1 . 2 . 3 . ]" 1
136 1 23 MET HA 1 24 TYR H 2.800 . 2.800 2.173 2.049 2.462 . 0 0 "[ . 1 . 2 . 3 . ]" 1
137 1 23 MET QB 1 24 TYR H 3.500 . 3.500 3.213 2.087 3.645 0.145 12 0 "[ . 1 . 2 . 3 . ]" 1
138 1 23 MET QB 1 32 ALA H 7.000 . 7.000 4.008 2.767 5.232 . 0 0 "[ . 1 . 2 . 3 . ]" 1
139 1 23 MET QG 1 24 TYR H 5.000 . 5.000 4.258 3.420 4.753 . 0 0 "[ . 1 . 2 . 3 . ]" 1
140 1 23 MET QG 1 32 ALA H 7.000 . 7.000 4.058 2.512 5.477 . 0 0 "[ . 1 . 2 . 3 . ]" 1
141 1 23 MET QG 1 32 ALA MB 5.000 . 5.000 3.498 2.225 5.039 0.039 1 0 "[ . 1 . 2 . 3 . ]" 1
142 1 23 MET QG 1 33 CYS QB 7.000 . 7.000 5.942 5.203 6.677 . 0 0 "[ . 1 . 2 . 3 . ]" 1
143 1 23 MET QG 1 34 ASN H 7.000 . 7.000 4.573 3.625 5.761 . 0 0 "[ . 1 . 2 . 3 . ]" 1
144 1 23 MET QG 1 34 ASN QB 7.000 . 7.000 4.487 3.419 5.855 . 0 0 "[ . 1 . 2 . 3 . ]" 1
145 1 24 TYR H 1 24 TYR QB 2.800 . 2.800 2.393 2.162 2.614 . 0 0 "[ . 1 . 2 . 3 . ]" 1
146 1 24 TYR H 1 24 TYR QD 5.000 . 5.000 4.162 3.628 4.298 . 0 0 "[ . 1 . 2 . 3 . ]" 1
147 1 24 TYR H 1 24 TYR QE 7.000 . 7.000 6.112 5.652 6.250 . 0 0 "[ . 1 . 2 . 3 . ]" 1
148 1 24 TYR H 1 25 ILE H 7.000 . 7.000 4.298 3.920 4.568 . 0 0 "[ . 1 . 2 . 3 . ]" 1
149 1 24 TYR H 1 31 TYR HA 7.000 . 7.000 4.964 4.751 5.524 . 0 0 "[ . 1 . 2 . 3 . ]" 1
150 1 24 TYR H 1 31 TYR QD 7.000 . 7.000 5.278 4.365 6.085 . 0 0 "[ . 1 . 2 . 3 . ]" 1
151 1 24 TYR H 1 31 TYR QE 7.000 . 7.000 6.465 4.412 7.194 0.194 13 0 "[ . 1 . 2 . 3 . ]" 1
152 1 24 TYR HA 1 24 TYR QD 3.500 . 3.500 2.549 2.248 3.103 . 0 0 "[ . 1 . 2 . 3 . ]" 1
153 1 24 TYR HA 1 25 ILE H 2.800 . 2.800 2.222 2.166 2.292 . 0 0 "[ . 1 . 2 . 3 . ]" 1
154 1 24 TYR QB 1 24 TYR QD 2.800 . 2.800 2.088 2.062 2.135 . 0 0 "[ . 1 . 2 . 3 . ]" 1
155 1 24 TYR QB 1 25 ILE H 5.000 . 5.000 3.919 3.740 4.077 . 0 0 "[ . 1 . 2 . 3 . ]" 1
156 1 24 TYR QD 1 25 ILE H 3.500 . 3.500 2.982 2.442 3.520 0.020 13 0 "[ . 1 . 2 . 3 . ]" 1
157 1 24 TYR QD 1 25 ILE HA 7.000 . 7.000 4.431 3.677 4.780 . 0 0 "[ . 1 . 2 . 3 . ]" 1
158 1 24 TYR QD 1 25 ILE HB 7.000 . 7.000 5.374 4.677 6.100 . 0 0 "[ . 1 . 2 . 3 . ]" 1
159 1 24 TYR QD 1 26 GLU H 7.000 . 7.000 4.291 2.932 4.950 . 0 0 "[ . 1 . 2 . 3 . ]" 1
160 1 24 TYR QD 1 26 GLU HA 5.000 . 5.000 4.083 2.944 4.793 . 0 0 "[ . 1 . 2 . 3 . ]" 1
161 1 24 TYR QD 1 26 GLU QB 7.000 . 7.000 4.490 3.175 5.640 . 0 0 "[ . 1 . 2 . 3 . ]" 1
162 1 24 TYR QD 1 26 GLU QG 7.000 . 7.000 4.384 2.360 5.996 . 0 0 "[ . 1 . 2 . 3 . ]" 1
163 1 24 TYR QD 1 29 ASP HA 7.000 . 7.000 4.372 3.685 5.386 . 0 0 "[ . 1 . 2 . 3 . ]" 1
164 1 24 TYR QD 1 30 LYS H 7.000 . 7.000 4.343 3.759 5.456 . 0 0 "[ . 1 . 2 . 3 . ]" 1
165 1 24 TYR QD 1 30 LYS HA 7.000 . 7.000 4.500 3.610 6.386 . 0 0 "[ . 1 . 2 . 3 . ]" 1
166 1 24 TYR QD 1 31 TYR H 7.000 . 7.000 4.731 3.907 5.799 . 0 0 "[ . 1 . 2 . 3 . ]" 1
167 1 24 TYR QD 1 31 TYR HA 5.000 . 5.000 3.629 2.738 5.045 0.045 21 0 "[ . 1 . 2 . 3 . ]" 1
168 1 24 TYR QD 1 31 TYR QD 5.000 . 5.000 3.090 2.197 3.795 . 0 0 "[ . 1 . 2 . 3 . ]" 1
169 1 24 TYR QD 1 32 ALA H 7.000 . 7.000 5.397 4.708 6.001 . 0 0 "[ . 1 . 2 . 3 . ]" 1
170 1 24 TYR QE 1 25 ILE H 7.000 . 7.000 4.406 4.030 4.829 . 0 0 "[ . 1 . 2 . 3 . ]" 1
171 1 24 TYR QE 1 25 ILE HA 7.000 . 7.000 5.370 4.675 5.579 . 0 0 "[ . 1 . 2 . 3 . ]" 1
172 1 24 TYR QE 1 26 GLU H 7.000 . 7.000 4.496 4.088 4.822 . 0 0 "[ . 1 . 2 . 3 . ]" 1
173 1 24 TYR QE 1 26 GLU HA 3.500 . 3.500 3.061 2.386 3.578 0.078 16 0 "[ . 1 . 2 . 3 . ]" 1
174 1 24 TYR QE 1 26 GLU QB 5.000 . 5.000 3.767 2.444 4.643 . 0 0 "[ . 1 . 2 . 3 . ]" 1
175 1 24 TYR QE 1 26 GLU QG 5.000 . 5.000 3.391 2.105 5.005 0.005 15 0 "[ . 1 . 2 . 3 . ]" 1
176 1 24 TYR QE 1 29 ASP H 5.000 . 5.000 4.324 3.819 4.906 . 0 0 "[ . 1 . 2 . 3 . ]" 1
177 1 24 TYR QE 1 29 ASP HA 5.000 . 5.000 2.793 2.262 3.679 . 0 0 "[ . 1 . 2 . 3 . ]" 1
178 1 24 TYR QE 1 30 LYS H 5.000 . 5.000 4.216 3.659 5.010 0.010 22 0 "[ . 1 . 2 . 3 . ]" 1
179 1 24 TYR QE 1 30 LYS HA 7.000 . 7.000 4.516 3.921 5.931 . 0 0 "[ . 1 . 2 . 3 . ]" 1
180 1 24 TYR QE 1 31 TYR H 7.000 . 7.000 5.632 4.763 6.756 . 0 0 "[ . 1 . 2 . 3 . ]" 1
181 1 25 ILE H 1 25 ILE HB 3.500 . 3.500 2.904 2.360 3.648 0.148 7 0 "[ . 1 . 2 . 3 . ]" 1
182 1 25 ILE H 1 25 ILE MD 5.000 . 5.000 2.753 2.035 4.593 . 0 0 "[ . 1 . 2 . 3 . ]" 1
183 1 25 ILE H 1 25 ILE QG 3.500 . 3.500 2.898 2.196 3.781 0.281 10 0 "[ . 1 . 2 . 3 . ]" 1
184 1 25 ILE H 1 25 ILE MG 3.500 . 3.500 3.421 1.873 3.803 0.303 15 0 "[ . 1 . 2 . 3 . ]" 1
185 1 25 ILE H 1 30 LYS H 5.000 . 5.000 3.726 3.251 4.240 . 0 0 "[ . 1 . 2 . 3 . ]" 1
186 1 25 ILE H 1 31 TYR HA 5.000 . 5.000 3.533 2.905 4.610 . 0 0 "[ . 1 . 2 . 3 . ]" 1
187 1 25 ILE H 1 32 ALA H 7.000 . 7.000 5.162 4.709 5.619 . 0 0 "[ . 1 . 2 . 3 . ]" 1
188 1 25 ILE HA 1 25 ILE MD 3.500 . 3.500 3.403 2.205 3.746 0.246 12 0 "[ . 1 . 2 . 3 . ]" 1
189 1 25 ILE HA 1 25 ILE QG 3.500 . 3.500 2.803 2.309 3.507 0.007 14 0 "[ . 1 . 2 . 3 . ]" 1
190 1 25 ILE HA 1 25 ILE MG 3.500 . 3.500 2.315 2.068 3.230 . 0 0 "[ . 1 . 2 . 3 . ]" 1
191 1 25 ILE HA 1 26 GLU H 2.800 . 2.800 2.155 2.070 2.235 . 0 0 "[ . 1 . 2 . 3 . ]" 1
192 1 25 ILE HA 1 26 GLU HA 5.000 . 5.000 4.329 4.168 4.445 . 0 0 "[ . 1 . 2 . 3 . ]" 1
193 1 25 ILE HB 1 25 ILE MD 3.500 . 3.500 2.684 2.248 3.306 . 0 0 "[ . 1 . 2 . 3 . ]" 1
194 1 25 ILE HB 1 26 GLU H 7.000 . 7.000 4.133 3.241 4.477 . 0 0 "[ . 1 . 2 . 3 . ]" 1
195 1 25 ILE HB 1 28 LEU H 5.000 . 5.000 3.548 2.694 5.013 0.013 10 0 "[ . 1 . 2 . 3 . ]" 1
196 1 25 ILE HB 1 29 ASP H 7.000 . 7.000 4.398 3.609 5.871 . 0 0 "[ . 1 . 2 . 3 . ]" 1
197 1 25 ILE MD 1 25 ILE MG 3.500 . 3.500 2.570 1.998 3.299 . 0 0 "[ . 1 . 2 . 3 . ]" 1
198 1 25 ILE QG 1 26 GLU H 7.000 . 7.000 4.366 3.012 4.937 . 0 0 "[ . 1 . 2 . 3 . ]" 1
199 1 25 ILE MG 1 26 GLU H 5.000 . 5.000 3.383 2.821 4.400 . 0 0 "[ . 1 . 2 . 3 . ]" 1
200 1 26 GLU H 1 26 GLU QB 2.800 . 2.800 2.265 2.072 2.736 . 0 0 "[ . 1 . 2 . 3 . ]" 1
201 1 26 GLU H 1 27 ALA H 5.000 . 5.000 2.824 2.541 3.087 . 0 0 "[ . 1 . 2 . 3 . ]" 1
202 1 26 GLU HA 1 26 GLU QB 2.800 . 2.800 2.354 2.137 2.510 . 0 0 "[ . 1 . 2 . 3 . ]" 1
203 1 26 GLU HA 1 27 ALA H 5.000 . 5.000 3.530 3.444 3.607 . 0 0 "[ . 1 . 2 . 3 . ]" 1
204 1 26 GLU HA 1 28 LEU H 7.000 . 7.000 4.224 3.844 4.871 . 0 0 "[ . 1 . 2 . 3 . ]" 1
205 1 26 GLU HA 1 29 ASP H 3.500 . 3.500 3.245 2.880 3.531 0.031 15 0 "[ . 1 . 2 . 3 . ]" 1
206 1 26 GLU HA 1 29 ASP HA 3.500 . 3.500 3.045 2.254 3.583 0.083 20 0 "[ . 1 . 2 . 3 . ]" 1
207 1 26 GLU HA 1 30 LYS H 5.000 . 5.000 4.820 3.861 5.096 0.096 19 0 "[ . 1 . 2 . 3 . ]" 1
208 1 26 GLU QB 1 27 ALA H 3.500 . 3.500 2.899 2.374 3.529 0.029 14 0 "[ . 1 . 2 . 3 . ]" 1
209 1 26 GLU QB 1 27 ALA HA 5.000 . 5.000 4.169 3.658 4.663 . 0 0 "[ . 1 . 2 . 3 . ]" 1
210 1 26 GLU QB 1 28 LEU H 7.000 . 7.000 4.941 4.612 5.278 . 0 0 "[ . 1 . 2 . 3 . ]" 1
211 1 26 GLU QB 1 29 ASP H 5.000 . 5.000 4.815 4.302 5.020 0.020 19 0 "[ . 1 . 2 . 3 . ]" 1
212 1 26 GLU QG 1 27 ALA H 7.000 . 7.000 3.951 2.164 4.723 . 0 0 "[ . 1 . 2 . 3 . ]" 1
213 1 26 GLU QG 1 27 ALA HA 7.000 . 7.000 4.850 3.304 5.937 . 0 0 "[ . 1 . 2 . 3 . ]" 1
214 1 27 ALA H 1 27 ALA HA 2.800 . 2.800 2.740 2.659 2.792 . 0 0 "[ . 1 . 2 . 3 . ]" 1
215 1 27 ALA H 1 27 ALA MB 2.800 . 2.800 2.160 2.041 2.206 . 0 0 "[ . 1 . 2 . 3 . ]" 1
216 1 27 ALA H 1 28 LEU H 3.500 . 3.500 2.868 2.721 3.162 . 0 0 "[ . 1 . 2 . 3 . ]" 1
217 1 27 ALA H 1 28 LEU HA 7.000 . 7.000 5.409 5.298 5.523 . 0 0 "[ . 1 . 2 . 3 . ]" 1
218 1 27 ALA H 1 28 LEU QD 7.000 . 7.000 4.501 3.840 4.898 . 0 0 "[ . 1 . 2 . 3 . ]" 1
219 1 27 ALA H 1 29 ASP H 5.000 . 5.000 3.981 3.467 4.253 . 0 0 "[ . 1 . 2 . 3 . ]" 1
220 1 27 ALA HA 1 28 LEU H 3.500 . 3.500 3.538 3.488 3.580 0.080 11 0 "[ . 1 . 2 . 3 . ]" 1
221 1 27 ALA MB 1 28 LEU H 3.500 . 3.500 2.606 2.297 2.986 . 0 0 "[ . 1 . 2 . 3 . ]" 1
222 1 27 ALA MB 1 28 LEU QD 2.800 . 2.800 2.744 2.139 2.940 0.140 21 0 "[ . 1 . 2 . 3 . ]" 1
223 1 27 ALA MB 1 29 ASP H 5.000 . 5.000 4.325 3.894 4.555 . 0 0 "[ . 1 . 2 . 3 . ]" 1
224 1 28 LEU H 1 28 LEU QB 3.500 . 3.500 2.440 2.224 2.593 . 0 0 "[ . 1 . 2 . 3 . ]" 1
225 1 28 LEU H 1 28 LEU QD 5.000 . 5.000 2.896 2.284 3.408 . 0 0 "[ . 1 . 2 . 3 . ]" 1
226 1 28 LEU H 1 28 LEU HG 3.500 . 3.500 2.832 2.329 3.638 0.138 6 0 "[ . 1 . 2 . 3 . ]" 1
227 1 28 LEU H 1 29 ASP H 3.500 . 3.500 2.196 2.032 2.296 . 0 0 "[ . 1 . 2 . 3 . ]" 1
228 1 28 LEU H 1 29 ASP HA 5.000 . 5.000 4.257 4.089 4.407 . 0 0 "[ . 1 . 2 . 3 . ]" 1
229 1 28 LEU H 1 30 LYS H 5.000 . 5.000 3.844 3.318 4.332 . 0 0 "[ . 1 . 2 . 3 . ]" 1
230 1 28 LEU HA 1 28 LEU QB 2.800 . 2.800 2.380 2.309 2.469 . 0 0 "[ . 1 . 2 . 3 . ]" 1
231 1 28 LEU HA 1 28 LEU QD 2.800 . 2.800 2.444 2.127 2.972 0.172 11 0 "[ . 1 . 2 . 3 . ]" 1
232 1 28 LEU HA 1 28 LEU HG 3.500 . 3.500 2.923 2.100 3.509 0.009 5 0 "[ . 1 . 2 . 3 . ]" 1
233 1 28 LEU HA 1 29 ASP H 3.500 . 3.500 3.440 3.181 3.525 0.025 21 0 "[ . 1 . 2 . 3 . ]" 1
234 1 28 LEU QB 1 28 LEU QD 2.800 . 2.800 1.960 1.869 1.998 . 0 0 "[ . 1 . 2 . 3 . ]" 1
235 1 28 LEU QB 1 29 ASP H 5.000 . 5.000 2.921 2.459 3.562 . 0 0 "[ . 1 . 2 . 3 . ]" 1
236 1 28 LEU QB 1 30 LYS H 5.000 . 5.000 2.668 1.791 3.896 . 0 0 "[ . 1 . 2 . 3 . ]" 1
237 1 28 LEU QD 1 29 ASP H 7.000 . 7.000 4.139 3.813 4.377 . 0 0 "[ . 1 . 2 . 3 . ]" 1
238 1 28 LEU QD 1 30 LYS H 5.000 . 5.000 4.155 3.457 4.782 . 0 0 "[ . 1 . 2 . 3 . ]" 1
239 1 28 LEU HG 1 29 ASP H 7.000 . 7.000 4.507 4.136 5.012 . 0 0 "[ . 1 . 2 . 3 . ]" 1
240 1 29 ASP H 1 29 ASP HA 2.800 . 2.800 2.115 2.079 2.139 . 0 0 "[ . 1 . 2 . 3 . ]" 1
241 1 29 ASP H 1 29 ASP QB 3.500 . 3.500 2.990 2.825 3.448 . 0 0 "[ . 1 . 2 . 3 . ]" 1
242 1 29 ASP H 1 30 LYS H 3.500 . 3.500 2.555 2.402 2.795 . 0 0 "[ . 1 . 2 . 3 . ]" 1
243 1 29 ASP HA 1 30 LYS H 3.500 . 3.500 2.943 2.539 3.150 . 0 0 "[ . 1 . 2 . 3 . ]" 1
244 1 29 ASP QB 1 30 LYS H 7.000 . 7.000 3.856 3.677 4.086 . 0 0 "[ . 1 . 2 . 3 . ]" 1
245 1 30 LYS H 1 30 LYS QB 2.800 . 2.800 2.649 2.426 2.939 0.139 15 0 "[ . 1 . 2 . 3 . ]" 1
246 1 30 LYS H 1 30 LYS QD 3.500 . 3.500 3.526 2.201 3.725 0.225 9 0 "[ . 1 . 2 . 3 . ]" 1
247 1 30 LYS H 1 30 LYS QG 3.500 . 3.500 2.769 2.224 3.671 0.171 4 0 "[ . 1 . 2 . 3 . ]" 1
248 1 30 LYS H 1 31 TYR H 7.000 . 7.000 4.443 4.290 4.544 . 0 0 "[ . 1 . 2 . 3 . ]" 1
249 1 30 LYS HA 1 30 LYS QD 3.500 . 3.500 2.466 1.984 3.689 0.189 15 0 "[ . 1 . 2 . 3 . ]" 1
250 1 30 LYS HA 1 30 LYS QG 3.500 . 3.500 3.222 3.058 3.535 0.035 15 0 "[ . 1 . 2 . 3 . ]" 1
251 1 30 LYS HA 1 31 TYR H 2.800 . 2.800 2.325 2.079 2.607 . 0 0 "[ . 1 . 2 . 3 . ]" 1
252 1 30 LYS HA 1 31 TYR QD 3.500 . 3.500 3.411 2.903 3.637 0.137 19 0 "[ . 1 . 2 . 3 . ]" 1
253 1 30 LYS QB 1 30 LYS QD 2.800 . 2.800 2.391 2.231 2.509 . 0 0 "[ . 1 . 2 . 3 . ]" 1
254 1 30 LYS QB 1 31 TYR H 3.500 . 3.500 2.423 1.981 3.165 . 0 0 "[ . 1 . 2 . 3 . ]" 1
255 1 30 LYS QB 1 31 TYR QD 5.000 . 5.000 4.502 3.881 5.016 0.016 7 0 "[ . 1 . 2 . 3 . ]" 1
256 1 30 LYS QB 1 31 TYR QE 7.000 . 7.000 5.895 4.870 6.648 . 0 0 "[ . 1 . 2 . 3 . ]" 1
257 1 30 LYS QD 1 31 TYR H 3.500 . 3.500 3.501 3.075 3.735 0.235 21 0 "[ . 1 . 2 . 3 . ]" 1
258 1 30 LYS QG 1 31 TYR H 5.000 . 5.000 4.210 2.535 4.752 . 0 0 "[ . 1 . 2 . 3 . ]" 1
259 1 31 TYR H 1 31 TYR QD 3.500 . 3.500 2.773 1.867 3.265 . 0 0 "[ . 1 . 2 . 3 . ]" 1
260 1 31 TYR H 1 32 ALA H 7.000 . 7.000 4.476 4.375 4.564 . 0 0 "[ . 1 . 2 . 3 . ]" 1
261 1 31 TYR HA 1 31 TYR QD 3.500 . 3.500 3.181 2.489 3.681 0.181 10 0 "[ . 1 . 2 . 3 . ]" 1
262 1 31 TYR HA 1 32 ALA H 2.800 . 2.800 2.336 2.173 2.501 . 0 0 "[ . 1 . 2 . 3 . ]" 1
263 1 31 TYR HA 1 32 ALA HA 5.000 . 5.000 4.396 4.257 4.486 . 0 0 "[ . 1 . 2 . 3 . ]" 1
264 1 31 TYR QB 1 31 TYR QD 2.800 . 2.800 2.091 2.063 2.168 . 0 0 "[ . 1 . 2 . 3 . ]" 1
265 1 31 TYR QB 1 32 ALA H 5.000 . 5.000 2.669 2.200 3.260 . 0 0 "[ . 1 . 2 . 3 . ]" 1
266 1 31 TYR QD 1 32 ALA H 5.000 . 5.000 3.775 2.925 4.533 . 0 0 "[ . 1 . 2 . 3 . ]" 1
267 1 31 TYR QD 1 32 ALA HA 5.000 . 5.000 4.764 3.684 5.150 0.150 15 0 "[ . 1 . 2 . 3 . ]" 1
268 1 32 ALA H 1 32 ALA MB 3.500 . 3.500 2.753 2.522 2.930 . 0 0 "[ . 1 . 2 . 3 . ]" 1
269 1 32 ALA H 1 33 CYS H 7.000 . 7.000 4.278 3.576 4.379 . 0 0 "[ . 1 . 2 . 3 . ]" 1
270 1 32 ALA HA 1 33 CYS H 3.500 . 3.500 2.322 2.098 2.558 . 0 0 "[ . 1 . 2 . 3 . ]" 1
271 1 32 ALA MB 1 33 CYS H 3.500 . 3.500 2.636 2.122 3.538 0.038 22 0 "[ . 1 . 2 . 3 . ]" 1
272 1 33 CYS H 1 34 ASN H 7.000 . 7.000 4.293 4.090 4.555 . 0 0 "[ . 1 . 2 . 3 . ]" 1
273 1 33 CYS HA 1 34 ASN H 2.800 . 2.800 2.192 2.134 2.249 . 0 0 "[ . 1 . 2 . 3 . ]" 1
274 1 33 CYS QB 1 34 ASN H 5.000 . 5.000 3.593 2.844 3.979 . 0 0 "[ . 1 . 2 . 3 . ]" 1
275 1 34 ASN H 1 34 ASN QB 3.500 . 3.500 2.420 2.223 2.661 . 0 0 "[ . 1 . 2 . 3 . ]" 1
276 1 34 ASN H 1 35 CYS H 7.000 . 7.000 4.498 4.391 4.595 . 0 0 "[ . 1 . 2 . 3 . ]" 1
277 1 34 ASN HA 1 35 CYS H 2.800 . 2.800 2.282 2.115 2.514 . 0 0 "[ . 1 . 2 . 3 . ]" 1
278 1 34 ASN QB 1 35 CYS H 5.000 . 5.000 3.224 2.327 3.775 . 0 0 "[ . 1 . 2 . 3 . ]" 1
279 1 35 CYS H 1 36 VAL H 7.000 . 7.000 4.458 4.377 4.536 . 0 0 "[ . 1 . 2 . 3 . ]" 1
280 1 35 CYS HA 1 36 VAL H 2.800 . 2.800 2.410 2.224 2.574 . 0 0 "[ . 1 . 2 . 3 . ]" 1
281 1 35 CYS QB 1 36 VAL H 5.000 . 5.000 2.462 2.109 3.393 . 0 0 "[ . 1 . 2 . 3 . ]" 1
282 1 35 CYS QB 1 39 TYR H 7.000 . 7.000 4.847 3.604 6.067 . 0 0 "[ . 1 . 2 . 3 . ]" 1
283 1 35 CYS QB 1 39 TYR QB 3.500 . 3.500 3.161 2.052 3.665 0.165 6 0 "[ . 1 . 2 . 3 . ]" 1
284 1 35 CYS QB 1 39 TYR QD 7.000 . 7.000 4.543 3.057 5.239 . 0 0 "[ . 1 . 2 . 3 . ]" 1
285 1 36 VAL H 1 36 VAL HB 3.500 . 3.500 2.823 2.175 3.519 0.019 10 0 "[ . 1 . 2 . 3 . ]" 1
286 1 36 VAL H 1 36 VAL QG 2.800 . 2.800 1.915 1.654 2.256 . 0 0 "[ . 1 . 2 . 3 . ]" 1
287 1 36 VAL H 1 37 VAL H 7.000 . 7.000 4.568 4.514 4.665 . 0 0 "[ . 1 . 2 . 3 . ]" 1
288 1 36 VAL H 1 39 TYR QB 7.000 . 7.000 3.501 2.537 4.520 . 0 0 "[ . 1 . 2 . 3 . ]" 1
289 1 36 VAL H 1 39 TYR QD 5.000 . 5.000 4.031 3.310 4.548 . 0 0 "[ . 1 . 2 . 3 . ]" 1
290 1 36 VAL HA 1 37 VAL H 2.800 . 2.800 2.388 2.247 2.528 . 0 0 "[ . 1 . 2 . 3 . ]" 1
291 1 36 VAL HA 1 39 TYR QD 7.000 . 7.000 4.712 4.306 5.381 . 0 0 "[ . 1 . 2 . 3 . ]" 1
292 1 36 VAL HB 1 37 VAL H 3.500 . 3.500 3.225 2.299 3.713 0.213 15 0 "[ . 1 . 2 . 3 . ]" 1
293 1 36 VAL HB 1 39 TYR H 7.000 . 7.000 5.083 4.384 6.487 . 0 0 "[ . 1 . 2 . 3 . ]" 1
294 1 36 VAL HB 1 39 TYR QD 3.500 . 3.500 2.737 2.152 3.599 0.099 19 0 "[ . 1 . 2 . 3 . ]" 1
295 1 36 VAL HB 1 39 TYR QE 7.000 . 7.000 3.532 2.614 5.519 . 0 0 "[ . 1 . 2 . 3 . ]" 1
296 1 36 VAL QG 1 37 VAL H 3.500 . 3.500 2.310 1.781 3.249 . 0 0 "[ . 1 . 2 . 3 . ]" 1
297 1 36 VAL QG 1 39 TYR H 7.000 . 7.000 4.638 3.759 5.299 . 0 0 "[ . 1 . 2 . 3 . ]" 1
298 1 36 VAL QG 1 39 TYR QD 2.800 . 2.800 2.633 2.052 2.856 0.056 7 0 "[ . 1 . 2 . 3 . ]" 1
299 1 36 VAL QG 1 39 TYR QE 3.500 . 3.500 2.807 2.234 3.646 0.146 11 0 "[ . 1 . 2 . 3 . ]" 1
300 1 37 VAL H 1 37 VAL HA 2.800 . 2.800 2.834 2.767 2.900 0.100 11 0 "[ . 1 . 2 . 3 . ]" 1
301 1 37 VAL H 1 37 VAL HB 2.800 . 2.800 2.526 2.344 2.785 . 0 0 "[ . 1 . 2 . 3 . ]" 1
302 1 37 VAL H 1 37 VAL QG 3.500 . 3.500 2.033 1.852 2.308 . 0 0 "[ . 1 . 2 . 3 . ]" 1
303 1 37 VAL H 1 38 GLY H 5.000 . 5.000 4.534 4.433 4.601 . 0 0 "[ . 1 . 2 . 3 . ]" 1
304 1 37 VAL HA 1 38 GLY H 2.800 . 2.800 2.156 2.048 2.207 . 0 0 "[ . 1 . 2 . 3 . ]" 1
305 1 37 VAL HA 1 39 TYR H 5.000 . 5.000 3.480 3.242 4.248 . 0 0 "[ . 1 . 2 . 3 . ]" 1
306 1 37 VAL HB 1 38 GLY H 5.000 . 5.000 4.156 4.046 4.345 . 0 0 "[ . 1 . 2 . 3 . ]" 1
307 1 37 VAL QG 1 38 GLY H 3.500 . 3.500 2.543 2.388 2.760 . 0 0 "[ . 1 . 2 . 3 . ]" 1
308 1 37 VAL QG 1 39 TYR H 7.000 . 7.000 4.231 4.073 4.500 . 0 0 "[ . 1 . 2 . 3 . ]" 1
309 1 37 VAL QG 1 51 TRP HE1 7.000 . 7.000 4.733 2.712 6.445 . 0 0 "[ . 1 . 2 . 3 . ]" 1
310 1 37 VAL QG 1 51 TRP HZ2 5.000 . 5.000 3.837 2.235 5.043 0.043 16 0 "[ . 1 . 2 . 3 . ]" 1
311 1 38 GLY H 1 39 TYR H 3.500 . 3.500 2.356 2.112 2.606 . 0 0 "[ . 1 . 2 . 3 . ]" 1
312 1 38 GLY QA 1 39 TYR H 5.000 . 5.000 2.823 2.422 2.894 . 0 0 "[ . 1 . 2 . 3 . ]" 1
313 1 38 GLY QA 1 39 TYR QD 5.000 . 5.000 3.897 3.489 5.139 0.139 11 0 "[ . 1 . 2 . 3 . ]" 1
314 1 39 TYR H 1 39 TYR QD 3.500 . 3.500 3.150 2.718 3.612 0.112 11 0 "[ . 1 . 2 . 3 . ]" 1
315 1 39 TYR H 1 39 TYR QE 7.000 . 7.000 5.168 4.779 5.607 . 0 0 "[ . 1 . 2 . 3 . ]" 1
316 1 39 TYR H 1 40 ILE H 7.000 . 7.000 4.281 3.955 4.412 . 0 0 "[ . 1 . 2 . 3 . ]" 1
317 1 39 TYR H 1 40 ILE QG 5.000 . 5.000 5.054 4.944 5.133 0.133 7 0 "[ . 1 . 2 . 3 . ]" 1
318 1 39 TYR HA 1 39 TYR QD 3.500 . 3.500 2.844 2.482 3.074 . 0 0 "[ . 1 . 2 . 3 . ]" 1
319 1 39 TYR HA 1 40 ILE H 2.800 . 2.800 2.160 2.082 2.201 . 0 0 "[ . 1 . 2 . 3 . ]" 1
320 1 39 TYR HA 1 47 ARG HA 7.000 . 7.000 2.523 2.123 3.013 . 0 0 "[ . 1 . 2 . 3 . ]" 1
321 1 39 TYR HA 1 48 ASP H 3.500 . 3.500 3.174 2.637 3.567 0.067 14 0 "[ . 1 . 2 . 3 . ]" 1
322 1 39 TYR QB 1 40 ILE H 7.000 . 7.000 3.148 2.825 3.746 . 0 0 "[ . 1 . 2 . 3 . ]" 1
323 1 39 TYR QB 1 44 CYS QB 7.000 . 7.000 3.144 2.047 7.019 0.019 11 0 "[ . 1 . 2 . 3 . ]" 1
324 1 39 TYR QD 1 40 ILE H 5.000 . 5.000 3.768 2.861 4.278 . 0 0 "[ . 1 . 2 . 3 . ]" 1
325 1 39 TYR QD 1 46 TYR H 5.000 . 5.000 4.326 3.450 5.012 0.012 20 0 "[ . 1 . 2 . 3 . ]" 1
326 1 39 TYR QD 1 47 ARG H 7.000 . 7.000 4.710 3.858 5.397 . 0 0 "[ . 1 . 2 . 3 . ]" 1
327 1 39 TYR QD 1 47 ARG HA 3.500 . 3.500 3.320 2.814 3.600 0.100 2 0 "[ . 1 . 2 . 3 . ]" 1
328 1 39 TYR QD 1 47 ARG QB 7.000 . 7.000 3.902 3.064 5.221 . 0 0 "[ . 1 . 2 . 3 . ]" 1
329 1 39 TYR QD 1 47 ARG QD 7.000 . 7.000 4.921 3.276 6.113 . 0 0 "[ . 1 . 2 . 3 . ]" 1
330 1 39 TYR QD 1 48 ASP H 5.000 . 5.000 4.751 4.372 5.141 0.141 11 0 "[ . 1 . 2 . 3 . ]" 1
331 1 39 TYR QE 1 40 ILE H 7.000 . 7.000 5.695 3.955 6.228 . 0 0 "[ . 1 . 2 . 3 . ]" 1
332 1 39 TYR QE 1 46 TYR H 7.000 . 7.000 5.993 3.199 7.034 0.034 16 0 "[ . 1 . 2 . 3 . ]" 1
333 1 39 TYR QE 1 47 ARG H 7.000 . 7.000 5.119 3.745 6.516 . 0 0 "[ . 1 . 2 . 3 . ]" 1
334 1 39 TYR QE 1 47 ARG HA 7.000 . 7.000 4.101 3.336 5.546 . 0 0 "[ . 1 . 2 . 3 . ]" 1
335 1 39 TYR QE 1 47 ARG QB 7.000 . 7.000 3.482 2.299 6.859 . 0 0 "[ . 1 . 2 . 3 . ]" 1
336 1 39 TYR QE 1 47 ARG QD 7.000 . 7.000 3.804 2.328 7.043 0.043 11 0 "[ . 1 . 2 . 3 . ]" 1
337 1 40 ILE H 1 40 ILE QG 3.500 . 3.500 2.160 1.958 2.364 . 0 0 "[ . 1 . 2 . 3 . ]" 1
338 1 40 ILE H 1 40 ILE MG 3.500 . 3.500 3.094 2.725 3.525 0.025 11 0 "[ . 1 . 2 . 3 . ]" 1
339 1 40 ILE H 1 41 GLY H 7.000 . 7.000 4.397 4.255 4.474 . 0 0 "[ . 1 . 2 . 3 . ]" 1
340 1 40 ILE H 1 46 TYR H 7.000 . 7.000 3.274 3.092 3.707 . 0 0 "[ . 1 . 2 . 3 . ]" 1
341 1 40 ILE H 1 46 TYR QB 5.000 . 5.000 3.296 2.813 3.746 . 0 0 "[ . 1 . 2 . 3 . ]" 1
342 1 40 ILE H 1 48 ASP H 5.000 . 5.000 4.301 3.985 4.933 . 0 0 "[ . 1 . 2 . 3 . ]" 1
343 1 40 ILE HA 1 40 ILE HB 2.800 . 2.800 2.493 2.356 2.600 . 0 0 "[ . 1 . 2 . 3 . ]" 1
344 1 40 ILE HA 1 41 GLY H 3.500 . 3.500 2.477 2.254 2.831 . 0 0 "[ . 1 . 2 . 3 . ]" 1
345 1 40 ILE HB 1 41 GLY H 2.800 . 2.800 2.166 1.776 2.484 . 0 0 "[ . 1 . 2 . 3 . ]" 1
346 1 40 ILE QG 1 40 ILE MG 2.800 . 2.800 2.367 2.239 2.482 . 0 0 "[ . 1 . 2 . 3 . ]" 1
347 1 40 ILE QG 1 41 GLY H 5.000 . 5.000 3.540 2.918 4.021 . 0 0 "[ . 1 . 2 . 3 . ]" 1
348 1 40 ILE QG 1 46 TYR H 5.000 . 5.000 3.555 3.003 4.040 . 0 0 "[ . 1 . 2 . 3 . ]" 1
349 1 40 ILE QG 1 46 TYR QB 5.000 . 5.000 2.017 1.895 2.367 . 0 0 "[ . 1 . 2 . 3 . ]" 1
350 1 40 ILE QG 1 46 TYR QD 3.500 . 3.500 2.897 2.236 3.609 0.109 9 0 "[ . 1 . 2 . 3 . ]" 1
351 1 40 ILE QG 1 46 TYR QE 5.000 . 5.000 4.884 4.227 5.144 0.144 9 0 "[ . 1 . 2 . 3 . ]" 1
352 1 40 ILE QG 1 47 ARG H 5.000 . 5.000 4.299 3.804 4.983 . 0 0 "[ . 1 . 2 . 3 . ]" 1
353 1 40 ILE QG 1 48 ASP H 7.000 . 7.000 3.692 3.139 4.725 . 0 0 "[ . 1 . 2 . 3 . ]" 1
354 1 40 ILE QG 1 48 ASP HA 5.000 . 5.000 3.886 3.248 5.046 0.046 14 0 "[ . 1 . 2 . 3 . ]" 1
355 1 40 ILE MG 1 41 GLY H 5.000 . 5.000 3.433 3.222 3.573 . 0 0 "[ . 1 . 2 . 3 . ]" 1
356 1 40 ILE MG 1 46 TYR QB 5.000 . 5.000 4.569 4.233 4.914 . 0 0 "[ . 1 . 2 . 3 . ]" 1
357 1 41 GLY H 1 42 GLU H 7.000 . 7.000 4.248 3.623 4.513 . 0 0 "[ . 1 . 2 . 3 . ]" 1
358 1 41 GLY QA 1 42 GLU H 3.500 . 3.500 2.271 2.104 2.340 . 0 0 "[ . 1 . 2 . 3 . ]" 1
359 1 41 GLY QA 1 43 ARG H 7.000 . 7.000 3.617 3.202 3.995 . 0 0 "[ . 1 . 2 . 3 . ]" 1
360 1 41 GLY QA 1 44 CYS H 7.000 . 7.000 3.528 3.165 4.298 . 0 0 "[ . 1 . 2 . 3 . ]" 1
361 1 41 GLY QA 1 45 GLN H 7.000 . 7.000 3.149 2.531 4.089 . 0 0 "[ . 1 . 2 . 3 . ]" 1
362 1 41 GLY QA 1 46 TYR QD 3.500 . 3.500 2.883 2.392 3.524 0.024 19 0 "[ . 1 . 2 . 3 . ]" 1
363 1 41 GLY QA 1 46 TYR QE 3.500 . 3.500 3.139 2.397 3.591 0.091 14 0 "[ . 1 . 2 . 3 . ]" 1
364 1 42 GLU H 1 42 GLU QB 2.800 . 2.800 2.333 2.072 2.537 . 0 0 "[ . 1 . 2 . 3 . ]" 1
365 1 42 GLU H 1 42 GLU QG 5.000 . 5.000 2.868 1.936 4.026 . 0 0 "[ . 1 . 2 . 3 . ]" 1
366 1 42 GLU H 1 43 ARG H 5.000 . 5.000 2.765 2.380 3.064 . 0 0 "[ . 1 . 2 . 3 . ]" 1
367 1 42 GLU H 1 44 CYS H 7.000 . 7.000 4.011 3.721 4.458 . 0 0 "[ . 1 . 2 . 3 . ]" 1
368 1 42 GLU H 1 45 GLN QE 7.000 . 7.000 6.895 6.034 7.173 0.173 20 0 "[ . 1 . 2 . 3 . ]" 1
369 1 42 GLU H 1 46 TYR QD 7.000 . 7.000 5.311 4.756 5.954 . 0 0 "[ . 1 . 2 . 3 . ]" 1
370 1 42 GLU H 1 46 TYR QE 7.000 . 7.000 4.587 3.477 5.664 . 0 0 "[ . 1 . 2 . 3 . ]" 1
371 1 42 GLU HA 1 42 GLU QB 2.800 . 2.800 2.347 2.138 2.551 . 0 0 "[ . 1 . 2 . 3 . ]" 1
372 1 42 GLU HA 1 43 ARG H 5.000 . 5.000 3.520 3.390 3.583 . 0 0 "[ . 1 . 2 . 3 . ]" 1
373 1 42 GLU HA 1 44 CYS H 7.000 . 7.000 3.857 3.546 4.175 . 0 0 "[ . 1 . 2 . 3 . ]" 1
374 1 42 GLU QG 1 43 ARG H 7.000 . 7.000 3.585 2.026 4.505 . 0 0 "[ . 1 . 2 . 3 . ]" 1
375 1 42 GLU QG 1 43 ARG QG 5.000 . 5.000 4.539 3.026 5.077 0.077 15 0 "[ . 1 . 2 . 3 . ]" 1
376 1 43 ARG H 1 43 ARG QB 3.500 . 3.500 2.796 2.034 3.029 . 0 0 "[ . 1 . 2 . 3 . ]" 1
377 1 43 ARG H 1 43 ARG QG 5.000 . 5.000 2.123 1.739 3.792 . 0 0 "[ . 1 . 2 . 3 . ]" 1
378 1 43 ARG H 1 44 CYS H 2.800 . 2.800 2.640 2.254 2.928 0.128 11 0 "[ . 1 . 2 . 3 . ]" 1
379 1 43 ARG H 1 45 GLN H 5.000 . 5.000 3.784 3.237 4.723 . 0 0 "[ . 1 . 2 . 3 . ]" 1
380 1 43 ARG H 1 45 GLN QE 7.000 . 7.000 5.458 4.621 6.046 . 0 0 "[ . 1 . 2 . 3 . ]" 1
381 1 43 ARG HA 1 43 ARG QG 3.500 . 3.500 3.369 2.632 3.467 . 0 0 "[ . 1 . 2 . 3 . ]" 1
382 1 43 ARG HA 1 44 CYS H 5.000 . 5.000 3.030 2.776 3.280 . 0 0 "[ . 1 . 2 . 3 . ]" 1
383 1 43 ARG QB 1 44 CYS H 7.000 . 7.000 3.994 3.492 4.113 . 0 0 "[ . 1 . 2 . 3 . ]" 1
384 1 43 ARG QG 1 44 CYS H 7.000 . 7.000 3.711 3.270 4.203 . 0 0 "[ . 1 . 2 . 3 . ]" 1
385 1 43 ARG QG 1 45 GLN H 3.500 . 3.500 3.404 2.634 3.687 0.187 13 0 "[ . 1 . 2 . 3 . ]" 1
386 1 43 ARG QG 1 45 GLN QB 5.000 . 5.000 2.803 1.974 4.191 . 0 0 "[ . 1 . 2 . 3 . ]" 1
387 1 43 ARG QG 1 45 GLN QE 5.000 . 5.000 3.114 2.084 4.343 . 0 0 "[ . 1 . 2 . 3 . ]" 1
388 1 43 ARG QG 1 45 GLN QG 3.500 . 3.500 3.085 2.022 3.659 0.159 3 0 "[ . 1 . 2 . 3 . ]" 1
389 1 44 CYS H 1 44 CYS HA 2.800 . 2.800 2.144 2.082 2.187 . 0 0 "[ . 1 . 2 . 3 . ]" 1
390 1 44 CYS H 1 45 GLN H 3.500 . 3.500 2.948 2.512 3.253 . 0 0 "[ . 1 . 2 . 3 . ]" 1
391 1 44 CYS HA 1 45 GLN H 3.500 . 3.500 2.666 2.305 2.861 . 0 0 "[ . 1 . 2 . 3 . ]" 1
392 1 45 GLN H 1 45 GLN QG 5.000 . 5.000 3.137 1.819 4.064 . 0 0 "[ . 1 . 2 . 3 . ]" 1
393 1 45 GLN H 1 46 TYR H 3.500 . 3.500 2.531 2.077 2.920 . 0 0 "[ . 1 . 2 . 3 . ]" 1
394 1 45 GLN H 1 46 TYR QD 7.000 . 7.000 4.092 2.614 5.110 . 0 0 "[ . 1 . 2 . 3 . ]" 1
395 1 45 GLN HA 1 45 GLN QE 5.000 . 5.000 3.931 1.948 4.458 . 0 0 "[ . 1 . 2 . 3 . ]" 1
396 1 45 GLN HA 1 46 TYR H 5.000 . 5.000 3.560 3.312 3.670 . 0 0 "[ . 1 . 2 . 3 . ]" 1
397 1 45 GLN QB 1 46 TYR H 5.000 . 5.000 2.973 2.471 4.028 . 0 0 "[ . 1 . 2 . 3 . ]" 1
398 1 45 GLN QB 1 46 TYR QD 3.500 . 3.500 3.152 2.193 3.760 0.260 20 0 "[ . 1 . 2 . 3 . ]" 1
399 1 45 GLN QB 1 46 TYR QE 5.000 . 5.000 3.394 2.657 4.490 . 0 0 "[ . 1 . 2 . 3 . ]" 1
400 1 45 GLN QE 1 46 TYR QD 5.000 . 5.000 4.878 3.911 5.241 0.241 21 0 "[ . 1 . 2 . 3 . ]" 1
401 1 45 GLN QE 1 46 TYR QE 5.000 . 5.000 4.153 3.278 5.160 0.160 16 0 "[ . 1 . 2 . 3 . ]" 1
402 1 46 TYR H 1 46 TYR QD 5.000 . 5.000 2.837 2.029 3.387 . 0 0 "[ . 1 . 2 . 3 . ]" 1
403 1 46 TYR H 1 46 TYR QE 7.000 . 7.000 4.404 4.130 5.064 . 0 0 "[ . 1 . 2 . 3 . ]" 1
404 1 46 TYR HA 1 46 TYR QD 3.500 . 3.500 2.690 2.299 3.278 . 0 0 "[ . 1 . 2 . 3 . ]" 1
405 1 46 TYR HA 1 46 TYR QE 5.000 . 5.000 4.719 4.502 4.949 . 0 0 "[ . 1 . 2 . 3 . ]" 1
406 1 46 TYR HA 1 47 ARG H 3.500 . 3.500 2.343 2.176 2.492 . 0 0 "[ . 1 . 2 . 3 . ]" 1
407 1 46 TYR QB 1 46 TYR QD 2.800 . 2.800 2.112 2.072 2.185 . 0 0 "[ . 1 . 2 . 3 . ]" 1
408 1 46 TYR QB 1 47 ARG H 3.500 . 3.500 2.716 2.359 3.272 . 0 0 "[ . 1 . 2 . 3 . ]" 1
409 1 46 TYR QB 1 48 ASP H 7.000 . 7.000 5.174 4.777 5.457 . 0 0 "[ . 1 . 2 . 3 . ]" 1
410 1 46 TYR QD 1 47 ARG H 5.000 . 5.000 4.245 3.965 4.591 . 0 0 "[ . 1 . 2 . 3 . ]" 1
411 1 47 ARG H 1 47 ARG QB 3.500 . 3.500 2.590 2.218 3.096 . 0 0 "[ . 1 . 2 . 3 . ]" 1
412 1 47 ARG H 1 47 ARG QG 5.000 . 5.000 2.882 1.913 4.023 . 0 0 "[ . 1 . 2 . 3 . ]" 1
413 1 47 ARG H 1 48 ASP H 7.000 . 7.000 4.502 4.390 4.564 . 0 0 "[ . 1 . 2 . 3 . ]" 1
414 1 47 ARG HA 1 47 ARG QD 5.000 . 5.000 4.118 3.416 4.491 . 0 0 "[ . 1 . 2 . 3 . ]" 1
415 1 47 ARG HA 1 47 ARG QG 3.500 . 3.500 2.793 2.246 3.509 0.009 12 0 "[ . 1 . 2 . 3 . ]" 1
416 1 47 ARG HA 1 48 ASP H 2.800 . 2.800 2.201 2.131 2.316 . 0 0 "[ . 1 . 2 . 3 . ]" 1
417 1 47 ARG QB 1 48 ASP H 5.000 . 5.000 3.179 2.536 3.883 . 0 0 "[ . 1 . 2 . 3 . ]" 1
418 1 47 ARG QB 1 52 TRP HE1 7.000 . 7.000 4.211 2.652 6.119 . 0 0 "[ . 1 . 2 . 3 . ]" 1
419 1 47 ARG QD 1 48 ASP H 7.000 . 7.000 4.944 4.177 5.594 . 0 0 "[ . 1 . 2 . 3 . ]" 1
420 1 47 ARG QG 1 48 ASP H 5.000 . 5.000 3.665 2.278 4.759 . 0 0 "[ . 1 . 2 . 3 . ]" 1
421 1 47 ARG QG 1 52 TRP HE1 7.000 . 7.000 4.532 2.483 6.456 . 0 0 "[ . 1 . 2 . 3 . ]" 1
422 1 48 ASP H 1 48 ASP QB 3.500 . 3.500 2.259 2.187 2.407 . 0 0 "[ . 1 . 2 . 3 . ]" 1
423 1 48 ASP H 1 52 TRP HD1 7.000 . 7.000 4.953 3.959 5.959 . 0 0 "[ . 1 . 2 . 3 . ]" 1
424 1 48 ASP H 1 52 TRP HE1 5.000 . 5.000 4.596 3.662 5.042 0.042 8 0 "[ . 1 . 2 . 3 . ]" 1
425 1 48 ASP HA 1 49 LEU H 2.800 . 2.800 2.196 2.017 2.339 . 0 0 "[ . 1 . 2 . 3 . ]" 1
426 1 48 ASP HA 1 49 LEU QB 7.000 . 7.000 4.218 3.775 4.567 . 0 0 "[ . 1 . 2 . 3 . ]" 1
427 1 48 ASP HA 1 50 LYS H 5.000 . 5.000 3.731 3.309 4.210 . 0 0 "[ . 1 . 2 . 3 . ]" 1
428 1 48 ASP QB 1 49 LEU H 7.000 . 7.000 3.877 3.297 4.108 . 0 0 "[ . 1 . 2 . 3 . ]" 1
429 1 49 LEU H 1 49 LEU QB 3.500 . 3.500 2.302 2.069 2.674 . 0 0 "[ . 1 . 2 . 3 . ]" 1
430 1 49 LEU H 1 49 LEU QD 5.000 . 5.000 3.019 1.814 3.763 . 0 0 "[ . 1 . 2 . 3 . ]" 1
431 1 49 LEU H 1 50 LYS H 5.000 . 5.000 2.700 2.172 3.123 . 0 0 "[ . 1 . 2 . 3 . ]" 1
432 1 49 LEU HA 1 49 LEU QD 3.500 . 3.500 2.310 2.024 3.447 . 0 0 "[ . 1 . 2 . 3 . ]" 1
433 1 49 LEU HA 1 50 LYS H 3.500 . 3.500 3.308 2.979 3.525 0.025 10 0 "[ . 1 . 2 . 3 . ]" 1
434 1 49 LEU HA 1 51 TRP H 7.000 . 7.000 4.234 3.639 4.757 . 0 0 "[ . 1 . 2 . 3 . ]" 1
435 1 49 LEU HA 1 52 TRP H 7.000 . 7.000 3.586 2.882 4.397 . 0 0 "[ . 1 . 2 . 3 . ]" 1
436 1 49 LEU HA 1 52 TRP HD1 3.500 . 3.500 2.522 2.158 3.564 0.064 3 0 "[ . 1 . 2 . 3 . ]" 1
437 1 49 LEU QB 1 50 LYS H 5.000 . 5.000 3.414 2.787 4.065 . 0 0 "[ . 1 . 2 . 3 . ]" 1
438 1 49 LEU QD 1 50 LYS H 5.000 . 5.000 4.253 3.014 4.525 . 0 0 "[ . 1 . 2 . 3 . ]" 1
439 1 50 LYS H 1 50 LYS QD 3.500 . 3.500 2.542 1.805 3.649 0.149 2 0 "[ . 1 . 2 . 3 . ]" 1
440 1 50 LYS H 1 50 LYS QG 3.500 . 3.500 2.881 1.948 3.729 0.229 2 0 "[ . 1 . 2 . 3 . ]" 1
441 1 50 LYS H 1 51 TRP H 3.500 . 3.500 2.856 2.546 3.172 . 0 0 "[ . 1 . 2 . 3 . ]" 1
442 1 50 LYS HA 1 50 LYS QD 3.500 . 3.500 2.975 2.147 3.731 0.231 22 0 "[ . 1 . 2 . 3 . ]" 1
443 1 50 LYS HA 1 51 TRP H 3.500 . 3.500 3.542 3.463 3.591 0.091 9 0 "[ . 1 . 2 . 3 . ]" 1
444 1 50 LYS QB 1 50 LYS QD 2.800 . 2.800 2.418 2.048 2.891 0.091 6 0 "[ . 1 . 2 . 3 . ]" 1
445 1 50 LYS QB 1 50 LYS QE 3.500 . 3.500 3.181 2.218 3.696 0.196 11 0 "[ . 1 . 2 . 3 . ]" 1
446 1 50 LYS QB 1 51 TRP H 5.000 . 5.000 2.786 2.223 3.846 . 0 0 "[ . 1 . 2 . 3 . ]" 1
447 1 50 LYS QD 1 51 TRP H 5.000 . 5.000 4.347 2.852 5.056 0.056 4 0 "[ . 1 . 2 . 3 . ]" 1
448 1 50 LYS QG 1 51 TRP H 7.000 . 7.000 4.417 3.184 4.782 . 0 0 "[ . 1 . 2 . 3 . ]" 1
449 1 51 TRP H 1 51 TRP QB 2.800 . 2.800 2.573 1.963 2.848 0.048 6 0 "[ . 1 . 2 . 3 . ]" 1
450 1 51 TRP H 1 51 TRP HD1 5.000 . 5.000 3.383 2.244 5.057 0.057 8 0 "[ . 1 . 2 . 3 . ]" 1
451 1 51 TRP H 1 52 TRP H 3.500 . 3.500 2.450 2.208 2.583 . 0 0 "[ . 1 . 2 . 3 . ]" 1
452 1 51 TRP H 1 52 TRP HD1 5.000 . 5.000 3.861 3.128 4.738 . 0 0 "[ . 1 . 2 . 3 . ]" 1
453 1 51 TRP H 1 52 TRP HE1 7.000 . 7.000 5.691 4.879 6.485 . 0 0 "[ . 1 . 2 . 3 . ]" 1
454 1 51 TRP HA 1 51 TRP HD1 5.000 . 5.000 4.318 2.595 4.755 . 0 0 "[ . 1 . 2 . 3 . ]" 1
455 1 51 TRP HA 1 52 TRP H 3.500 . 3.500 3.473 3.368 3.561 0.061 13 0 "[ . 1 . 2 . 3 . ]" 1
456 1 51 TRP QB 1 51 TRP HD1 2.800 . 2.800 2.734 2.601 2.931 0.131 13 0 "[ . 1 . 2 . 3 . ]" 1
457 1 51 TRP QB 1 52 TRP H 3.500 . 3.500 3.522 2.717 3.678 0.178 20 0 "[ . 1 . 2 . 3 . ]" 1
458 1 51 TRP HZ2 1 52 TRP HE1 5.000 . 5.000 3.675 2.824 5.133 0.133 13 0 "[ . 1 . 2 . 3 . ]" 1
459 1 52 TRP H 1 53 GLU H 3.500 . 3.500 2.767 2.441 3.061 . 0 0 "[ . 1 . 2 . 3 . ]" 1
460 1 52 TRP HA 1 52 TRP HD1 5.000 . 5.000 4.252 3.676 4.730 . 0 0 "[ . 1 . 2 . 3 . ]" 1
461 1 52 TRP HA 1 53 GLU H 3.500 . 3.500 3.541 3.286 3.583 0.083 16 0 "[ . 1 . 2 . 3 . ]" 1
462 1 52 TRP QB 1 53 GLU H 5.000 . 5.000 2.610 2.162 3.959 . 0 0 "[ . 1 . 2 . 3 . ]" 1
463 1 53 GLU H 1 53 GLU QB 3.500 . 3.500 2.378 2.120 2.540 . 0 0 "[ . 1 . 2 . 3 . ]" 1
464 1 53 GLU H 1 54 LEU H 3.500 . 3.500 3.470 2.826 3.671 0.171 11 0 "[ . 1 . 2 . 3 . ]" 1
465 1 53 GLU H 1 54 LEU QD 7.000 . 7.000 4.976 3.389 5.681 . 0 0 "[ . 1 . 2 . 3 . ]" 1
466 1 53 GLU HA 1 54 LEU H 2.800 . 2.800 2.519 2.237 2.823 0.023 7 0 "[ . 1 . 2 . 3 . ]" 1
467 1 53 GLU QB 1 54 LEU H 7.000 . 7.000 4.011 3.905 4.112 . 0 0 "[ . 1 . 2 . 3 . ]" 1
468 1 54 LEU H 1 54 LEU QB 2.800 . 2.800 2.482 2.194 2.781 . 0 0 "[ . 1 . 2 . 3 . ]" 1
469 1 54 LEU H 1 54 LEU QD 5.000 . 5.000 3.774 2.459 4.082 . 0 0 "[ . 1 . 2 . 3 . ]" 1
470 1 54 LEU HA 1 54 LEU QB 2.800 . 2.800 2.435 2.364 2.517 . 0 0 "[ . 1 . 2 . 3 . ]" 1
471 1 54 LEU HA 1 54 LEU QD 2.800 . 2.800 2.274 2.006 2.857 0.057 12 0 "[ . 1 . 2 . 3 . ]" 1
472 1 54 LEU QB 1 54 LEU QD 2.800 . 2.800 2.001 1.935 2.114 . 0 0 "[ . 1 . 2 . 3 . ]" 1
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