NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
385508 |
1l3h   |
5583 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1l3h
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 772
_Distance_constraint_stats_list.Viol_count 1514
_Distance_constraint_stats_list.Viol_total 2284.100
_Distance_constraint_stats_list.Viol_max 0.340
_Distance_constraint_stats_list.Viol_rms 0.0164
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0033
_Distance_constraint_stats_list.Viol_average_violations_only 0.0503
_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 LEU 0.911 0.284 29 0 "[ . 1 . 2 . 3]"
1 2 THR 4.532 0.284 29 0 "[ . 1 . 2 . 3]"
1 3 LYS 0.476 0.069 4 0 "[ . 1 . 2 . 3]"
1 4 CYS 0.040 0.030 22 0 "[ . 1 . 2 . 3]"
1 5 GLN 0.739 0.072 25 0 "[ . 1 . 2 . 3]"
1 6 GLU 4.368 0.112 27 0 "[ . 1 . 2 . 3]"
1 7 GLU 2.610 0.163 22 0 "[ . 1 . 2 . 3]"
1 8 VAL 7.154 0.112 27 0 "[ . 1 . 2 . 3]"
1 9 SER 2.513 0.109 16 0 "[ . 1 . 2 . 3]"
1 10 HIS 0.489 0.055 6 0 "[ . 1 . 2 . 3]"
1 11 ILE 0.687 0.061 9 0 "[ . 1 . 2 . 3]"
1 12 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 13 ALA 0.027 0.027 16 0 "[ . 1 . 2 . 3]"
1 14 VAL 1.076 0.073 18 0 "[ . 1 . 2 . 3]"
1 15 HIS 1.170 0.073 18 0 "[ . 1 . 2 . 3]"
1 16 PRO 0.158 0.039 14 0 "[ . 1 . 2 . 3]"
1 17 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 18 SER 0.158 0.039 14 0 "[ . 1 . 2 . 3]"
1 19 PHE 0.058 0.045 23 0 "[ . 1 . 2 . 3]"
1 20 ARG 0.081 0.049 23 0 "[ . 1 . 2 . 3]"
1 21 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 22 LYS 0.184 0.059 28 0 "[ . 1 . 2 . 3]"
1 23 CYS 6.093 0.180 17 0 "[ . 1 . 2 . 3]"
1 24 ASP 4.844 0.150 26 0 "[ . 1 . 2 . 3]"
1 25 GLU 2.288 0.063 1 0 "[ . 1 . 2 . 3]"
1 26 ASN 1.117 0.078 26 0 "[ . 1 . 2 . 3]"
1 27 GLY 0.020 0.007 22 0 "[ . 1 . 2 . 3]"
1 28 ASN 2.305 0.130 25 0 "[ . 1 . 2 . 3]"
1 29 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 30 LEU 4.075 0.180 17 0 "[ . 1 . 2 . 3]"
1 31 PRO 0.192 0.056 10 0 "[ . 1 . 2 . 3]"
1 32 LEU 2.965 0.098 14 0 "[ . 1 . 2 . 3]"
1 33 GLN 0.113 0.020 12 0 "[ . 1 . 2 . 3]"
1 34 CYS 0.285 0.032 23 0 "[ . 1 . 2 . 3]"
1 35 TYR 1.492 0.109 23 0 "[ . 1 . 2 . 3]"
1 36 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 37 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 38 ILE 3.373 0.154 9 0 "[ . 1 . 2 . 3]"
1 39 GLY 0.726 0.060 3 0 "[ . 1 . 2 . 3]"
1 40 TYR 1.319 0.060 3 0 "[ . 1 . 2 . 3]"
1 41 CYS 1.496 0.077 5 0 "[ . 1 . 2 . 3]"
1 42 TRP 6.000 0.114 7 0 "[ . 1 . 2 . 3]"
1 43 CYS 3.516 0.089 24 0 "[ . 1 . 2 . 3]"
1 44 VAL 4.159 0.114 7 0 "[ . 1 . 2 . 3]"
1 45 PHE 0.275 0.024 5 0 "[ . 1 . 2 . 3]"
1 46 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 47 ASN 3.049 0.133 19 0 "[ . 1 . 2 . 3]"
1 48 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 49 THR 1.632 0.081 27 0 "[ . 1 . 2 . 3]"
1 50 GLU 0.222 0.020 24 0 "[ . 1 . 2 . 3]"
1 51 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 52 PRO 2.140 0.340 5 0 "[ . 1 . 2 . 3]"
1 53 ASN 4.825 0.340 5 0 "[ . 1 . 2 . 3]"
1 54 THR 5.952 0.110 14 0 "[ . 1 . 2 . 3]"
1 55 ARG 3.642 0.114 5 0 "[ . 1 . 2 . 3]"
1 56 SER 0.008 0.008 20 0 "[ . 1 . 2 . 3]"
1 57 ARG 2.730 0.168 8 0 "[ . 1 . 2 . 3]"
1 58 GLY 2.372 0.128 24 0 "[ . 1 . 2 . 3]"
1 59 HIS 0.264 0.047 10 0 "[ . 1 . 2 . 3]"
1 60 HIS 7.021 0.110 14 0 "[ . 1 . 2 . 3]"
1 61 ASN 5.381 0.130 27 0 "[ . 1 . 2 . 3]"
1 62 CYS 4.074 0.154 4 0 "[ . 1 . 2 . 3]"
1 63 SER 3.700 0.142 12 0 "[ . 1 . 2 . 3]"
1 64 GLU 4.227 0.157 28 0 "[ . 1 . 2 . 3]"
1 65 SER 2.557 0.157 28 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 LEU HA 1 2 THR H . . 2.800 2.513 2.326 3.084 0.284 29 0 "[ . 1 . 2 . 3]" 1
2 1 1 LEU QB 1 5 GLN HA . . 5.800 4.881 4.545 5.664 . 0 0 "[ . 1 . 2 . 3]" 1
3 1 1 LEU QB 1 6 GLU QG . . 6.800 2.962 2.054 5.587 . 0 0 "[ . 1 . 2 . 3]" 1
4 1 1 LEU QD 1 2 THR H . . 5.800 3.738 3.375 3.960 . 0 0 "[ . 1 . 2 . 3]" 1
5 1 1 LEU QD 1 5 GLN QB . . 5.800 2.551 2.151 4.339 . 0 0 "[ . 1 . 2 . 3]" 1
6 1 1 LEU QD 1 6 GLU QG . . 8.000 2.840 2.092 5.895 . 0 0 "[ . 1 . 2 . 3]" 1
7 1 1 LEU HG 1 2 THR H . . 3.600 3.461 2.899 3.733 0.133 29 0 "[ . 1 . 2 . 3]" 1
8 1 2 THR H 1 2 THR HA . . 2.800 2.904 2.869 2.963 0.163 29 0 "[ . 1 . 2 . 3]" 1
9 1 2 THR H 1 5 GLN HB2 . . 2.800 2.092 1.791 2.413 . 0 0 "[ . 1 . 2 . 3]" 1
10 1 2 THR H 1 5 GLN HB3 . . 3.600 3.594 3.477 3.672 0.072 25 0 "[ . 1 . 2 . 3]" 1
11 1 2 THR HA 1 3 LYS H . . 3.600 2.483 2.410 2.587 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 2 THR HA 1 3 LYS HA . . 4.800 4.425 4.164 4.502 . 0 0 "[ . 1 . 2 . 3]" 1
13 1 2 THR HB 1 3 LYS H . . 2.800 2.370 1.975 2.608 . 0 0 "[ . 1 . 2 . 3]" 1
14 1 2 THR MG 1 3 LYS H . . 5.800 3.769 3.609 3.898 . 0 0 "[ . 1 . 2 . 3]" 1
15 1 2 THR MG 1 5 GLN QE . . 6.800 3.737 2.064 6.064 . 0 0 "[ . 1 . 2 . 3]" 1
16 1 2 THR MG 1 5 GLN QG . . 6.800 3.851 2.733 6.095 . 0 0 "[ . 1 . 2 . 3]" 1
17 1 2 THR MG 1 27 GLY H . . 5.800 4.920 4.199 5.474 . 0 0 "[ . 1 . 2 . 3]" 1
18 1 2 THR MG 1 27 GLY QA . . 4.800 2.618 2.090 3.592 . 0 0 "[ . 1 . 2 . 3]" 1
19 1 3 LYS HA 1 4 CYS H . . 3.600 3.551 3.479 3.603 0.003 5 0 "[ . 1 . 2 . 3]" 1
20 1 3 LYS HA 1 6 GLU H . . 3.600 3.593 3.370 3.669 0.069 4 0 "[ . 1 . 2 . 3]" 1
21 1 3 LYS HA 1 6 GLU HB2 . . 3.600 2.478 2.256 2.721 . 0 0 "[ . 1 . 2 . 3]" 1
22 1 3 LYS HA 1 6 GLU QG . . 5.800 3.615 3.018 3.853 . 0 0 "[ . 1 . 2 . 3]" 1
23 1 3 LYS HA 1 7 GLU H . . 4.800 3.808 3.601 4.049 . 0 0 "[ . 1 . 2 . 3]" 1
24 1 3 LYS HA 1 29 TYR QE . . 7.000 5.266 4.529 5.921 . 0 0 "[ . 1 . 2 . 3]" 1
25 1 3 LYS QB 1 4 CYS H . . 4.600 2.698 2.462 3.195 . 0 0 "[ . 1 . 2 . 3]" 1
26 1 3 LYS QB 1 7 GLU QG . . 6.800 4.823 4.396 6.327 . 0 0 "[ . 1 . 2 . 3]" 1
27 1 3 LYS QB 1 29 TYR QD . . 6.800 4.694 3.810 5.525 . 0 0 "[ . 1 . 2 . 3]" 1
28 1 3 LYS QB 1 29 TYR QE . . 6.000 2.826 2.410 3.539 . 0 0 "[ . 1 . 2 . 3]" 1
29 1 3 LYS QD 1 29 TYR QE . . 6.800 3.706 2.193 5.483 . 0 0 "[ . 1 . 2 . 3]" 1
30 1 3 LYS QE 1 29 TYR QE . . 8.000 3.865 2.064 5.946 . 0 0 "[ . 1 . 2 . 3]" 1
31 1 3 LYS QG 1 4 CYS HA . . 5.800 4.054 3.519 4.404 . 0 0 "[ . 1 . 2 . 3]" 1
32 1 3 LYS QG 1 6 GLU HB2 . . 5.800 3.956 3.609 5.404 . 0 0 "[ . 1 . 2 . 3]" 1
33 1 3 LYS QG 1 6 GLU QG . . 5.600 5.183 4.560 5.309 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 3 LYS QG 1 29 TYR QE . . 8.000 3.562 2.166 4.271 . 0 0 "[ . 1 . 2 . 3]" 1
35 1 4 CYS H 1 4 CYS HB2 . . 2.800 2.480 2.394 2.654 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 4 CYS H 1 4 CYS HB3 . . 2.800 2.615 2.407 2.707 . 0 0 "[ . 1 . 2 . 3]" 1
37 1 4 CYS H 1 5 GLN H . . 3.600 2.850 2.588 2.971 . 0 0 "[ . 1 . 2 . 3]" 1
38 1 4 CYS H 1 6 GLU H . . 4.800 4.101 3.814 4.235 . 0 0 "[ . 1 . 2 . 3]" 1
39 1 4 CYS H 1 29 TYR QE . . 7.000 3.380 3.105 3.864 . 0 0 "[ . 1 . 2 . 3]" 1
40 1 4 CYS HA 1 4 CYS HB2 . . 2.800 2.498 2.427 2.556 . 0 0 "[ . 1 . 2 . 3]" 1
41 1 4 CYS HA 1 5 GLN H . . 4.800 3.618 3.586 3.636 . 0 0 "[ . 1 . 2 . 3]" 1
42 1 4 CYS HA 1 7 GLU H . . 4.800 3.705 3.494 3.881 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 4 CYS HA 1 7 GLU HB2 . . 3.600 2.993 2.661 3.630 0.030 22 0 "[ . 1 . 2 . 3]" 1
44 1 4 CYS HA 1 7 GLU HB3 . . 4.800 4.568 3.110 4.806 0.006 3 0 "[ . 1 . 2 . 3]" 1
45 1 4 CYS HA 1 7 GLU QG . . 5.800 4.263 3.725 5.036 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 4 CYS HA 1 8 VAL H . . 4.800 3.978 3.762 4.331 . 0 0 "[ . 1 . 2 . 3]" 1
47 1 4 CYS HA 1 21 PRO QG . . 4.600 3.658 2.756 4.319 . 0 0 "[ . 1 . 2 . 3]" 1
48 1 4 CYS HA 1 29 TYR QE . . 5.800 3.049 2.712 3.347 . 0 0 "[ . 1 . 2 . 3]" 1
49 1 4 CYS HB2 1 5 GLN H . . 4.800 3.722 3.583 3.912 . 0 0 "[ . 1 . 2 . 3]" 1
50 1 4 CYS HB2 1 28 ASN HA . . 4.800 3.825 3.094 4.447 . 0 0 "[ . 1 . 2 . 3]" 1
51 1 4 CYS HB2 1 29 TYR QE . . 5.800 3.108 2.887 3.356 . 0 0 "[ . 1 . 2 . 3]" 1
52 1 4 CYS HB3 1 5 GLN H . . 3.600 2.346 2.118 2.589 . 0 0 "[ . 1 . 2 . 3]" 1
53 1 4 CYS HB3 1 28 ASN HA . . 4.800 3.793 3.144 4.393 . 0 0 "[ . 1 . 2 . 3]" 1
54 1 4 CYS HB3 1 29 TYR QE . . 7.000 4.471 4.215 4.773 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 5 GLN H 1 5 GLN QG . . 3.800 2.412 2.103 3.548 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 5 GLN H 1 6 GLU H . . 3.600 2.796 2.676 2.948 . 0 0 "[ . 1 . 2 . 3]" 1
57 1 5 GLN H 1 27 GLY QA . . 5.800 4.336 2.474 4.951 . 0 0 "[ . 1 . 2 . 3]" 1
58 1 5 GLN HA 1 5 GLN HB3 . . 2.800 2.547 2.454 2.699 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 5 GLN HA 1 5 GLN QE . . 5.800 4.358 2.918 4.832 . 0 0 "[ . 1 . 2 . 3]" 1
60 1 5 GLN HA 1 6 GLU H . . 4.800 3.568 3.539 3.592 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 5 GLN HA 1 7 GLU H . . 4.800 4.751 4.645 4.809 0.009 5 0 "[ . 1 . 2 . 3]" 1
62 1 5 GLN HA 1 8 VAL H . . 3.600 3.540 3.386 3.656 0.056 20 0 "[ . 1 . 2 . 3]" 1
63 1 5 GLN HA 1 8 VAL HB . . 3.600 2.579 2.268 3.395 . 0 0 "[ . 1 . 2 . 3]" 1
64 1 5 GLN HA 1 8 VAL MG1 . . 5.800 3.898 3.531 4.539 . 0 0 "[ . 1 . 2 . 3]" 1
65 1 5 GLN HA 1 8 VAL MG2 . . 3.800 3.363 2.162 3.685 . 0 0 "[ . 1 . 2 . 3]" 1
66 1 5 GLN HA 1 9 SER H . . 4.800 3.935 3.743 4.304 . 0 0 "[ . 1 . 2 . 3]" 1
67 1 5 GLN QE 1 23 CYS HB2 . . 5.800 4.294 2.520 5.626 . 0 0 "[ . 1 . 2 . 3]" 1
68 1 5 GLN QE 1 27 GLY H . . 5.800 4.200 2.076 5.631 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 5 GLN QE 1 27 GLY QA . . 4.800 2.675 2.262 4.056 . 0 0 "[ . 1 . 2 . 3]" 1
70 1 5 GLN QG 1 27 GLY QA . . 5.600 2.725 2.033 3.976 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 6 GLU H 1 7 GLU H . . 2.800 2.835 2.814 2.861 0.061 18 0 "[ . 1 . 2 . 3]" 1
72 1 6 GLU HA 1 6 GLU HB3 . . 2.800 2.564 2.505 2.608 . 0 0 "[ . 1 . 2 . 3]" 1
73 1 6 GLU HA 1 7 GLU H . . 3.600 3.618 3.605 3.632 0.032 28 0 "[ . 1 . 2 . 3]" 1
74 1 6 GLU HA 1 9 SER H . . 4.800 3.556 3.431 3.722 . 0 0 "[ . 1 . 2 . 3]" 1
75 1 6 GLU HB2 1 7 GLU H . . 3.600 2.330 2.275 2.382 . 0 0 "[ . 1 . 2 . 3]" 1
76 1 6 GLU HB2 1 7 GLU QG . . 5.800 3.633 3.173 5.536 . 0 0 "[ . 1 . 2 . 3]" 1
77 1 6 GLU HB2 1 8 VAL H . . 4.800 4.877 4.830 4.912 0.112 27 0 "[ . 1 . 2 . 3]" 1
78 1 7 GLU H 1 7 GLU HB2 . . 2.800 2.398 2.289 2.465 . 0 0 "[ . 1 . 2 . 3]" 1
79 1 7 GLU H 1 7 GLU HB3 . . 3.600 3.582 2.744 3.629 0.029 4 0 "[ . 1 . 2 . 3]" 1
80 1 7 GLU H 1 7 GLU QG . . 4.600 2.556 2.304 3.902 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 7 GLU H 1 8 VAL H . . 2.800 2.804 2.755 2.835 0.035 20 0 "[ . 1 . 2 . 3]" 1
82 1 7 GLU H 1 8 VAL MG2 . . 5.800 4.378 4.158 4.463 . 0 0 "[ . 1 . 2 . 3]" 1
83 1 7 GLU HA 1 7 GLU HB3 . . 2.800 2.571 2.520 2.963 0.163 22 0 "[ . 1 . 2 . 3]" 1
84 1 7 GLU HA 1 8 VAL H . . 3.600 3.566 3.545 3.589 . 0 0 "[ . 1 . 2 . 3]" 1
85 1 7 GLU HA 1 9 SER H . . 4.800 4.269 3.971 4.387 . 0 0 "[ . 1 . 2 . 3]" 1
86 1 7 GLU HA 1 10 HIS H . . 4.800 3.349 2.660 3.549 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 7 GLU HA 1 10 HIS HB2 . . 3.600 2.537 2.198 2.756 . 0 0 "[ . 1 . 2 . 3]" 1
88 1 7 GLU HA 1 10 HIS HB3 . . 4.800 4.223 3.703 4.439 . 0 0 "[ . 1 . 2 . 3]" 1
89 1 7 GLU HA 1 10 HIS HD2 . . 3.600 3.381 2.567 3.655 0.055 6 0 "[ . 1 . 2 . 3]" 1
90 1 7 GLU QB 1 8 VAL H . . 4.600 2.608 2.428 2.858 . 0 0 "[ . 1 . 2 . 3]" 1
91 1 7 GLU HB3 1 29 TYR QE . . 7.000 4.827 4.012 5.314 . 0 0 "[ . 1 . 2 . 3]" 1
92 1 8 VAL H 1 8 VAL HA . . 2.800 2.877 2.863 2.890 0.090 5 0 "[ . 1 . 2 . 3]" 1
93 1 8 VAL H 1 8 VAL HB . . 3.600 2.486 2.291 3.116 . 0 0 "[ . 1 . 2 . 3]" 1
94 1 8 VAL H 1 9 SER H . . 2.800 2.643 2.562 2.731 . 0 0 "[ . 1 . 2 . 3]" 1
95 1 8 VAL H 1 9 SER QB . . 5.800 4.785 4.395 4.934 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 8 VAL HA 1 9 SER H . . 3.600 3.502 3.457 3.544 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 8 VAL HA 1 10 HIS H . . 4.800 4.014 3.524 4.672 . 0 0 "[ . 1 . 2 . 3]" 1
98 1 8 VAL HA 1 11 ILE H . . 4.800 3.678 3.334 3.889 . 0 0 "[ . 1 . 2 . 3]" 1
99 1 8 VAL HA 1 11 ILE HB . . 3.600 3.412 2.855 3.642 0.042 24 0 "[ . 1 . 2 . 3]" 1
100 1 8 VAL HA 1 20 ARG QD . . 5.800 4.652 4.113 5.261 . 0 0 "[ . 1 . 2 . 3]" 1
101 1 8 VAL HA 1 20 ARG HE . . 4.800 3.376 2.816 4.810 0.010 16 0 "[ . 1 . 2 . 3]" 1
102 1 8 VAL HA 1 20 ARG QG . . 4.600 3.171 2.483 4.501 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 8 VAL HA 1 21 PRO QD . . 4.600 3.204 2.648 3.943 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 8 VAL HB 1 9 SER H . . 2.800 2.865 2.819 2.909 0.109 16 0 "[ . 1 . 2 . 3]" 1
105 1 8 VAL MG1 1 9 SER H . . 4.600 3.667 3.517 4.034 . 0 0 "[ . 1 . 2 . 3]" 1
106 1 8 VAL MG1 1 9 SER HA . . 4.600 3.917 3.777 4.388 . 0 0 "[ . 1 . 2 . 3]" 1
107 1 8 VAL MG1 1 22 LYS H . . 5.800 5.491 5.471 5.517 . 0 0 "[ . 1 . 2 . 3]" 1
108 1 8 VAL MG2 1 9 SER H . . 4.600 4.002 3.523 4.090 . 0 0 "[ . 1 . 2 . 3]" 1
109 1 8 VAL MG2 1 20 ARG QG . . 6.800 3.159 2.500 5.503 . 0 0 "[ . 1 . 2 . 3]" 1
110 1 8 VAL MG2 1 21 PRO QB . . 5.800 2.650 2.062 3.600 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 8 VAL MG2 1 21 PRO QD . . 5.600 2.889 2.211 3.739 . 0 0 "[ . 1 . 2 . 3]" 1
112 1 8 VAL MG2 1 23 CYS H . . 5.800 3.674 3.094 4.417 . 0 0 "[ . 1 . 2 . 3]" 1
113 1 8 VAL MG2 1 29 TYR QE . . 8.000 4.606 4.259 5.334 . 0 0 "[ . 1 . 2 . 3]" 1
114 1 9 SER HA 1 10 HIS H . . 3.600 3.418 3.271 3.598 . 0 0 "[ . 1 . 2 . 3]" 1
115 1 9 SER HA 1 11 ILE H . . 4.800 4.780 4.541 4.861 0.061 9 0 "[ . 1 . 2 . 3]" 1
116 1 9 SER QB 1 10 HIS H . . 4.600 3.226 2.444 3.937 . 0 0 "[ . 1 . 2 . 3]" 1
117 1 9 SER QB 1 10 HIS HD2 . . 5.800 5.164 4.014 5.674 . 0 0 "[ . 1 . 2 . 3]" 1
118 1 10 HIS H 1 10 HIS HB2 . . 3.600 2.580 2.454 2.648 . 0 0 "[ . 1 . 2 . 3]" 1
119 1 10 HIS H 1 11 ILE H . . 2.800 2.271 1.969 2.795 . 0 0 "[ . 1 . 2 . 3]" 1
120 1 10 HIS HA 1 10 HIS HB3 . . 2.800 2.464 2.448 2.477 . 0 0 "[ . 1 . 2 . 3]" 1
121 1 10 HIS HA 1 10 HIS HD2 . . 4.800 4.736 2.773 4.821 0.021 5 0 "[ . 1 . 2 . 3]" 1
122 1 10 HIS HA 1 11 ILE H . . 3.600 3.554 3.510 3.601 0.001 5 0 "[ . 1 . 2 . 3]" 1
123 1 10 HIS HB2 1 10 HIS HD2 . . 3.600 2.756 2.632 3.619 0.019 6 0 "[ . 1 . 2 . 3]" 1
124 1 10 HIS HB2 1 11 ILE H . . 3.600 2.854 2.445 3.187 . 0 0 "[ . 1 . 2 . 3]" 1
125 1 10 HIS HB3 1 11 ILE H . . 4.800 3.828 3.524 4.022 . 0 0 "[ . 1 . 2 . 3]" 1
126 1 11 ILE H 1 11 ILE HB . . 2.800 2.470 2.331 2.582 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 11 ILE H 1 11 ILE MD . . 5.800 3.582 3.219 3.798 . 0 0 "[ . 1 . 2 . 3]" 1
128 1 11 ILE H 1 11 ILE QG . . 4.600 2.464 2.252 2.573 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 11 ILE H 1 12 PRO QD . . 5.800 4.235 3.837 4.528 . 0 0 "[ . 1 . 2 . 3]" 1
130 1 11 ILE HA 1 12 PRO QD . . 3.800 2.099 2.065 2.172 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 11 ILE HB 1 12 PRO QD . . 4.600 4.313 4.052 4.485 . 0 0 "[ . 1 . 2 . 3]" 1
132 1 11 ILE HB 1 20 ARG QD . . 5.800 4.249 3.779 5.199 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 11 ILE HB 1 20 ARG HE . . 4.800 3.494 2.952 4.389 . 0 0 "[ . 1 . 2 . 3]" 1
134 1 11 ILE MD 1 19 PHE H . . 5.800 4.981 3.708 5.451 . 0 0 "[ . 1 . 2 . 3]" 1
135 1 11 ILE MD 1 20 ARG HA . . 5.800 2.977 2.117 4.515 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 11 ILE MD 1 20 ARG HE . . 5.800 5.103 4.379 5.502 . 0 0 "[ . 1 . 2 . 3]" 1
137 1 11 ILE MD 1 21 PRO QD . . 4.800 2.582 1.960 4.351 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 11 ILE MG 1 15 HIS HB2 . . 5.800 2.936 2.441 3.606 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 11 ILE MG 1 15 HIS HB3 . . 4.600 2.511 2.236 3.223 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 12 PRO HA 1 13 ALA H . . 2.800 2.400 2.267 2.475 . 0 0 "[ . 1 . 2 . 3]" 1
141 1 12 PRO HA 1 13 ALA HA . . 4.800 4.434 4.314 4.495 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 12 PRO HA 1 13 ALA MB . . 5.800 4.155 4.029 4.213 . 0 0 "[ . 1 . 2 . 3]" 1
143 1 12 PRO HA 1 14 VAL H . . 4.800 4.151 4.012 4.441 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 12 PRO QB 1 13 ALA H . . 4.600 2.682 2.488 2.959 . 0 0 "[ . 1 . 2 . 3]" 1
145 1 12 PRO QB 1 13 ALA MB . . 6.800 3.865 3.676 4.131 . 0 0 "[ . 1 . 2 . 3]" 1
146 1 12 PRO QB 1 14 VAL H . . 5.800 2.406 2.139 2.917 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 12 PRO QD 1 13 ALA H . . 5.800 4.958 4.913 5.026 . 0 0 "[ . 1 . 2 . 3]" 1
148 1 12 PRO QG 1 13 ALA H . . 5.800 4.196 4.038 4.426 . 0 0 "[ . 1 . 2 . 3]" 1
149 1 12 PRO QG 1 15 HIS HB2 . . 5.800 5.054 2.978 5.637 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 12 PRO QG 1 15 HIS HB3 . . 5.800 3.860 2.232 4.661 . 0 0 "[ . 1 . 2 . 3]" 1
151 1 13 ALA H 1 14 VAL H . . 3.600 2.786 2.512 3.011 . 0 0 "[ . 1 . 2 . 3]" 1
152 1 13 ALA HA 1 14 VAL H . . 3.600 3.484 3.423 3.569 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 13 ALA HA 1 14 VAL MG2 . . 5.800 4.902 4.816 4.936 . 0 0 "[ . 1 . 2 . 3]" 1
154 1 13 ALA HA 1 15 HIS HD2 . . 3.600 2.577 2.210 3.627 0.027 16 0 "[ . 1 . 2 . 3]" 1
155 1 13 ALA MB 1 14 VAL H . . 3.800 2.874 2.457 3.063 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 13 ALA MB 1 14 VAL HA . . 5.800 4.172 4.024 4.240 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 13 ALA MB 1 14 VAL MG2 . . 5.600 3.215 2.905 3.376 . 0 0 "[ . 1 . 2 . 3]" 1
158 1 13 ALA MB 1 15 HIS H . . 5.800 4.485 4.215 4.650 . 0 0 "[ . 1 . 2 . 3]" 1
159 1 14 VAL H 1 14 VAL HB . . 2.800 2.615 2.566 2.734 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 14 VAL H 1 14 VAL MG2 . . 4.600 2.336 2.084 2.519 . 0 0 "[ . 1 . 2 . 3]" 1
161 1 14 VAL H 1 15 HIS H . . 3.600 3.623 3.358 3.673 0.073 18 0 "[ . 1 . 2 . 3]" 1
162 1 14 VAL HA 1 15 HIS H . . 2.800 2.382 2.310 2.663 . 0 0 "[ . 1 . 2 . 3]" 1
163 1 14 VAL HA 1 15 HIS HA . . 4.800 4.461 4.327 4.608 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 14 VAL HA 1 15 HIS HD2 . . 4.800 4.551 4.189 4.803 0.003 1 0 "[ . 1 . 2 . 3]" 1
165 1 14 VAL HA 1 16 PRO QD . . 5.800 2.952 2.341 5.651 . 0 0 "[ . 1 . 2 . 3]" 1
166 1 14 VAL HB 1 15 HIS H . . 4.800 4.471 4.370 4.498 . 0 0 "[ . 1 . 2 . 3]" 1
167 1 14 VAL MG1 1 15 HIS H . . 4.600 3.895 3.809 4.167 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 14 VAL MG1 1 16 PRO QD . . 5.600 2.651 2.189 4.712 . 0 0 "[ . 1 . 2 . 3]" 1
169 1 14 VAL MG2 1 15 HIS H . . 5.800 4.332 4.294 4.385 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 15 HIS H 1 15 HIS HB3 . . 3.600 2.916 2.529 3.160 . 0 0 "[ . 1 . 2 . 3]" 1
171 1 15 HIS H 1 16 PRO QD . . 4.600 2.739 1.785 4.442 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 15 HIS HA 1 15 HIS HB2 . . 2.800 2.358 2.258 2.430 . 0 0 "[ . 1 . 2 . 3]" 1
173 1 15 HIS HA 1 15 HIS HB3 . . 2.800 2.457 2.343 2.644 . 0 0 "[ . 1 . 2 . 3]" 1
174 1 15 HIS HA 1 15 HIS HD2 . . 4.800 4.496 4.137 4.606 . 0 0 "[ . 1 . 2 . 3]" 1
175 1 15 HIS HA 1 16 PRO QD . . 3.800 2.801 2.081 3.563 . 0 0 "[ . 1 . 2 . 3]" 1
176 1 15 HIS QB 1 16 PRO QD . . 6.800 3.773 2.211 4.065 . 0 0 "[ . 1 . 2 . 3]" 1
177 1 15 HIS HB3 1 15 HIS HD2 . . 3.600 2.762 2.689 3.535 . 0 0 "[ . 1 . 2 . 3]" 1
178 1 15 HIS HB3 1 18 SER QB . . 5.800 4.343 3.651 5.656 . 0 0 "[ . 1 . 2 . 3]" 1
179 1 15 HIS HD2 1 20 ARG QD . . 5.800 2.804 2.177 5.655 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 15 HIS HE1 1 19 PHE HA . . 4.800 4.073 2.859 4.804 0.004 18 0 "[ . 1 . 2 . 3]" 1
181 1 15 HIS HE1 1 20 ARG H . . 4.800 3.993 2.774 4.849 0.049 23 0 "[ . 1 . 2 . 3]" 1
182 1 15 HIS HE1 1 20 ARG QB . . 5.800 3.335 2.158 5.366 . 0 0 "[ . 1 . 2 . 3]" 1
183 1 15 HIS HE1 1 20 ARG QG . . 5.800 5.252 2.106 5.658 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 16 PRO HA 1 17 GLY H . . 2.800 2.124 2.039 2.324 . 0 0 "[ . 1 . 2 . 3]" 1
185 1 16 PRO HA 1 17 GLY QA . . 5.800 3.963 3.900 4.049 . 0 0 "[ . 1 . 2 . 3]" 1
186 1 16 PRO HA 1 18 SER H . . 3.600 3.492 3.290 3.639 0.039 14 0 "[ . 1 . 2 . 3]" 1
187 1 16 PRO QB 1 17 GLY H . . 4.600 3.331 2.800 3.583 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 16 PRO QD 1 17 GLY H . . 5.800 4.871 4.713 4.974 . 0 0 "[ . 1 . 2 . 3]" 1
189 1 16 PRO QG 1 17 GLY H . . 5.800 4.566 4.321 4.743 . 0 0 "[ . 1 . 2 . 3]" 1
190 1 17 GLY H 1 18 SER H . . 3.600 2.677 2.206 3.054 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 17 GLY QA 1 18 SER H . . 4.600 2.914 2.680 3.010 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 18 SER H 1 18 SER QB . . 3.800 2.604 2.322 3.096 . 0 0 "[ . 1 . 2 . 3]" 1
193 1 18 SER H 1 19 PHE H . . 4.800 4.432 3.481 4.643 . 0 0 "[ . 1 . 2 . 3]" 1
194 1 18 SER HA 1 19 PHE H . . 2.800 2.347 2.015 2.668 . 0 0 "[ . 1 . 2 . 3]" 1
195 1 18 SER HA 1 19 PHE HB3 . . 4.800 4.494 4.189 4.695 . 0 0 "[ . 1 . 2 . 3]" 1
196 1 18 SER HA 1 35 TYR QE . . 7.000 3.179 2.498 5.040 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 18 SER QB 1 19 PHE H . . 4.600 2.877 2.148 3.558 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 18 SER QB 1 19 PHE HB3 . . 5.800 4.763 4.181 5.664 . 0 0 "[ . 1 . 2 . 3]" 1
199 1 19 PHE H 1 19 PHE HB2 . . 3.600 2.882 2.502 3.528 . 0 0 "[ . 1 . 2 . 3]" 1
200 1 19 PHE H 1 19 PHE HB3 . . 2.800 2.318 2.114 2.845 0.045 23 0 "[ . 1 . 2 . 3]" 1
201 1 19 PHE H 1 20 ARG H . . 4.800 4.529 3.283 4.665 . 0 0 "[ . 1 . 2 . 3]" 1
202 1 19 PHE H 1 35 TYR QD . . 7.000 4.576 4.171 6.450 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 19 PHE H 1 35 TYR QE . . 7.000 3.968 3.378 5.825 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 19 PHE HA 1 19 PHE HB2 . . 2.800 2.414 2.371 2.460 . 0 0 "[ . 1 . 2 . 3]" 1
205 1 19 PHE HA 1 20 ARG H . . 2.800 2.298 2.160 2.412 . 0 0 "[ . 1 . 2 . 3]" 1
206 1 19 PHE HA 1 35 TYR QD . . 5.800 3.196 2.645 4.296 . 0 0 "[ . 1 . 2 . 3]" 1
207 1 19 PHE HA 1 35 TYR QE . . 5.800 4.022 2.815 4.864 . 0 0 "[ . 1 . 2 . 3]" 1
208 1 19 PHE HB2 1 20 ARG H . . 4.800 3.933 3.712 4.518 . 0 0 "[ . 1 . 2 . 3]" 1
209 1 19 PHE HB2 1 35 TYR QE . . 7.000 3.796 3.229 4.832 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 19 PHE HB2 1 42 TRP HH2 . . 4.800 3.507 2.965 4.565 . 0 0 "[ . 1 . 2 . 3]" 1
211 1 19 PHE HB3 1 20 ARG H . . 4.800 4.012 3.651 4.538 . 0 0 "[ . 1 . 2 . 3]" 1
212 1 19 PHE HB3 1 35 TYR QE . . 7.000 4.655 3.416 6.226 . 0 0 "[ . 1 . 2 . 3]" 1
213 1 19 PHE QD 1 20 ARG H . . 5.800 2.656 2.329 3.293 . 0 0 "[ . 1 . 2 . 3]" 1
214 1 19 PHE QD 1 21 PRO HA . . 7.000 4.543 4.027 4.926 . 0 0 "[ . 1 . 2 . 3]" 1
215 1 19 PHE QD 1 21 PRO QD . . 8.000 3.468 3.069 4.166 . 0 0 "[ . 1 . 2 . 3]" 1
216 1 19 PHE QD 1 33 GLN HB3 . . 7.000 4.699 4.452 5.228 . 0 0 "[ . 1 . 2 . 3]" 1
217 1 19 PHE QD 1 35 TYR HA . . 5.800 2.496 2.145 3.767 . 0 0 "[ . 1 . 2 . 3]" 1
218 1 19 PHE QD 1 35 TYR HB2 . . 5.000 2.668 2.280 3.998 . 0 0 "[ . 1 . 2 . 3]" 1
219 1 19 PHE QD 1 35 TYR HB3 . . 5.800 4.159 3.796 5.066 . 0 0 "[ . 1 . 2 . 3]" 1
220 1 19 PHE QD 1 35 TYR QD . . 7.200 3.690 2.712 4.305 . 0 0 "[ . 1 . 2 . 3]" 1
221 1 19 PHE QD 1 35 TYR QE . . 8.000 4.929 2.675 5.645 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 19 PHE QD 1 42 TRP HH2 . . 5.800 2.913 2.511 3.806 . 0 0 "[ . 1 . 2 . 3]" 1
223 1 19 PHE QD 1 42 TRP HZ2 . . 7.000 3.921 3.064 4.607 . 0 0 "[ . 1 . 2 . 3]" 1
224 1 19 PHE QE 1 21 PRO HA . . 5.800 3.048 2.300 3.501 . 0 0 "[ . 1 . 2 . 3]" 1
225 1 19 PHE QE 1 22 LYS H . . 7.000 4.677 3.869 5.105 . 0 0 "[ . 1 . 2 . 3]" 1
226 1 19 PHE QE 1 33 GLN HA . . 5.800 4.046 3.694 4.788 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 19 PHE QE 1 33 GLN HB2 . . 5.800 3.908 3.458 4.481 . 0 0 "[ . 1 . 2 . 3]" 1
228 1 19 PHE QE 1 33 GLN HB3 . . 5.000 2.498 2.209 3.322 . 0 0 "[ . 1 . 2 . 3]" 1
229 1 19 PHE QE 1 34 CYS H . . 5.800 2.830 2.450 3.712 . 0 0 "[ . 1 . 2 . 3]" 1
230 1 19 PHE QE 1 35 TYR HA . . 7.000 4.138 2.620 4.710 . 0 0 "[ . 1 . 2 . 3]" 1
231 1 19 PHE QE 1 42 TRP HE1 . . 7.000 4.788 4.204 5.240 . 0 0 "[ . 1 . 2 . 3]" 1
232 1 19 PHE QE 1 42 TRP HH2 . . 7.000 3.457 2.703 3.956 . 0 0 "[ . 1 . 2 . 3]" 1
233 1 19 PHE QE 1 42 TRP HZ2 . . 5.000 3.153 2.898 3.342 . 0 0 "[ . 1 . 2 . 3]" 1
234 1 20 ARG H 1 20 ARG QG . . 4.600 4.081 3.055 4.183 . 0 0 "[ . 1 . 2 . 3]" 1
235 1 20 ARG H 1 21 PRO QD . . 5.800 4.011 3.652 4.336 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 20 ARG HA 1 21 PRO QD . . 3.800 2.070 2.014 2.169 . 0 0 "[ . 1 . 2 . 3]" 1
237 1 20 ARG QB 1 21 PRO QD . . 6.800 3.634 2.743 3.795 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 20 ARG QG 1 21 PRO QD . . 5.600 2.556 2.187 3.921 . 0 0 "[ . 1 . 2 . 3]" 1
239 1 21 PRO HA 1 22 LYS H . . 2.800 2.363 2.156 2.479 . 0 0 "[ . 1 . 2 . 3]" 1
240 1 21 PRO HA 1 29 TYR QD . . 7.000 4.353 4.139 4.528 . 0 0 "[ . 1 . 2 . 3]" 1
241 1 21 PRO HA 1 29 TYR QE . . 7.000 4.652 3.929 4.955 . 0 0 "[ . 1 . 2 . 3]" 1
242 1 21 PRO HA 1 33 GLN QE . . 5.800 4.176 4.000 4.305 . 0 0 "[ . 1 . 2 . 3]" 1
243 1 21 PRO QB 1 22 LYS H . . 4.600 2.476 2.313 2.804 . 0 0 "[ . 1 . 2 . 3]" 1
244 1 21 PRO QB 1 29 TYR QD . . 6.800 2.676 2.313 3.021 . 0 0 "[ . 1 . 2 . 3]" 1
245 1 21 PRO QB 1 29 TYR QE . . 6.000 2.405 2.217 2.695 . 0 0 "[ . 1 . 2 . 3]" 1
246 1 22 LYS H 1 22 LYS QD . . 3.800 3.085 2.312 3.859 0.059 28 0 "[ . 1 . 2 . 3]" 1
247 1 22 LYS H 1 22 LYS QG . . 4.600 3.329 2.469 3.974 . 0 0 "[ . 1 . 2 . 3]" 1
248 1 22 LYS H 1 23 CYS H . . 4.800 4.453 4.393 4.535 . 0 0 "[ . 1 . 2 . 3]" 1
249 1 22 LYS H 1 30 LEU H . . 4.800 4.100 3.907 4.416 . 0 0 "[ . 1 . 2 . 3]" 1
250 1 22 LYS H 1 33 GLN QE . . 3.800 2.340 2.171 2.547 . 0 0 "[ . 1 . 2 . 3]" 1
251 1 22 LYS HA 1 23 CYS H . . 2.800 2.326 2.230 2.379 . 0 0 "[ . 1 . 2 . 3]" 1
252 1 22 LYS QB 1 33 GLN QE . . 6.800 2.790 2.281 4.022 . 0 0 "[ . 1 . 2 . 3]" 1
253 1 22 LYS QE 1 30 LEU MD1 . . 5.600 4.851 2.711 5.122 . 0 0 "[ . 1 . 2 . 3]" 1
254 1 22 LYS QG 1 23 CYS H . . 5.800 4.216 3.660 4.826 . 0 0 "[ . 1 . 2 . 3]" 1
255 1 23 CYS H 1 23 CYS HB2 . . 3.600 2.900 2.715 3.063 . 0 0 "[ . 1 . 2 . 3]" 1
256 1 23 CYS H 1 24 ASP H . . 4.800 4.454 4.361 4.497 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 23 CYS H 1 30 LEU MD1 . . 5.800 2.972 2.736 3.516 . 0 0 "[ . 1 . 2 . 3]" 1
258 1 23 CYS HA 1 23 CYS HB3 . . 2.800 2.376 2.336 2.500 . 0 0 "[ . 1 . 2 . 3]" 1
259 1 23 CYS HA 1 24 ASP H . . 2.800 2.239 2.168 2.341 . 0 0 "[ . 1 . 2 . 3]" 1
260 1 23 CYS HA 1 28 ASN H . . 4.800 4.865 4.837 4.930 0.130 25 0 "[ . 1 . 2 . 3]" 1
261 1 23 CYS HA 1 29 TYR QD . . 7.000 4.980 4.870 5.137 . 0 0 "[ . 1 . 2 . 3]" 1
262 1 23 CYS HA 1 30 LEU H . . 2.800 2.111 2.045 2.263 . 0 0 "[ . 1 . 2 . 3]" 1
263 1 23 CYS HA 1 30 LEU HA . . 3.600 3.736 3.679 3.780 0.180 17 0 "[ . 1 . 2 . 3]" 1
264 1 23 CYS HA 1 33 GLN QE . . 5.800 3.746 3.625 3.918 . 0 0 "[ . 1 . 2 . 3]" 1
265 1 23 CYS HB2 1 24 ASP H . . 3.600 3.415 3.221 3.667 0.067 20 0 "[ . 1 . 2 . 3]" 1
266 1 23 CYS HB2 1 27 GLY QA . . 4.600 3.631 2.986 4.509 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 23 CYS HB3 1 24 ASP H . . 3.600 2.632 2.491 2.835 . 0 0 "[ . 1 . 2 . 3]" 1
268 1 23 CYS HB3 1 27 GLY QA . . 4.600 3.134 2.805 3.803 . 0 0 "[ . 1 . 2 . 3]" 1
269 1 23 CYS HB3 1 30 LEU H . . 4.800 4.331 4.168 4.442 . 0 0 "[ . 1 . 2 . 3]" 1
270 1 24 ASP H 1 24 ASP HA . . 2.800 2.926 2.907 2.950 0.150 26 0 "[ . 1 . 2 . 3]" 1
271 1 24 ASP H 1 24 ASP HB3 . . 3.600 2.831 2.569 3.242 . 0 0 "[ . 1 . 2 . 3]" 1
272 1 24 ASP H 1 25 GLU H . . 4.800 4.537 4.463 4.648 . 0 0 "[ . 1 . 2 . 3]" 1
273 1 24 ASP H 1 26 ASN H . . 4.800 4.364 4.111 4.661 . 0 0 "[ . 1 . 2 . 3]" 1
274 1 24 ASP H 1 27 GLY H . . 4.800 4.026 3.741 4.440 . 0 0 "[ . 1 . 2 . 3]" 1
275 1 24 ASP H 1 28 ASN H . . 3.600 3.233 3.119 3.478 . 0 0 "[ . 1 . 2 . 3]" 1
276 1 24 ASP H 1 28 ASN QB . . 5.800 4.133 3.836 4.932 . 0 0 "[ . 1 . 2 . 3]" 1
277 1 24 ASP H 1 29 TYR HA . . 4.800 4.008 3.868 4.352 . 0 0 "[ . 1 . 2 . 3]" 1
278 1 24 ASP H 1 30 LEU H . . 4.800 3.740 3.558 4.014 . 0 0 "[ . 1 . 2 . 3]" 1
279 1 24 ASP H 1 30 LEU HA . . 4.800 3.754 3.388 4.033 . 0 0 "[ . 1 . 2 . 3]" 1
280 1 24 ASP H 1 30 LEU QB . . 4.600 4.506 4.393 4.551 . 0 0 "[ . 1 . 2 . 3]" 1
281 1 24 ASP H 1 30 LEU MD1 . . 5.800 4.435 4.034 4.675 . 0 0 "[ . 1 . 2 . 3]" 1
282 1 24 ASP H 1 30 LEU MD2 . . 4.600 4.267 3.733 4.403 . 0 0 "[ . 1 . 2 . 3]" 1
283 1 24 ASP HA 1 24 ASP HB2 . . 2.800 2.443 2.304 2.534 . 0 0 "[ . 1 . 2 . 3]" 1
284 1 24 ASP HA 1 24 ASP HB3 . . 2.800 2.433 2.363 2.582 . 0 0 "[ . 1 . 2 . 3]" 1
285 1 24 ASP HA 1 25 GLU H . . 2.800 2.589 2.530 2.687 . 0 0 "[ . 1 . 2 . 3]" 1
286 1 24 ASP HA 1 26 ASN H . . 4.800 4.289 4.123 4.478 . 0 0 "[ . 1 . 2 . 3]" 1
287 1 24 ASP HA 1 30 LEU MD1 . . 5.800 3.532 3.281 3.801 . 0 0 "[ . 1 . 2 . 3]" 1
288 1 24 ASP HA 1 30 LEU MD2 . . 4.600 3.294 2.930 4.147 . 0 0 "[ . 1 . 2 . 3]" 1
289 1 24 ASP HB2 1 25 GLU H . . 2.800 2.170 2.027 2.278 . 0 0 "[ . 1 . 2 . 3]" 1
290 1 24 ASP HB2 1 25 GLU HA . . 4.800 4.792 4.733 4.844 0.044 22 0 "[ . 1 . 2 . 3]" 1
291 1 24 ASP HB2 1 25 GLU QB . . 5.800 4.266 3.654 4.427 . 0 0 "[ . 1 . 2 . 3]" 1
292 1 24 ASP HB2 1 26 ASN H . . 3.600 3.262 2.832 3.656 0.056 25 0 "[ . 1 . 2 . 3]" 1
293 1 24 ASP HB2 1 30 LEU MD2 . . 4.600 3.494 2.924 4.396 . 0 0 "[ . 1 . 2 . 3]" 1
294 1 24 ASP HB3 1 25 GLU H . . 3.600 3.620 3.563 3.661 0.061 15 0 "[ . 1 . 2 . 3]" 1
295 1 24 ASP HB3 1 26 ASN H . . 4.800 4.420 4.239 4.738 . 0 0 "[ . 1 . 2 . 3]" 1
296 1 24 ASP HB3 1 30 LEU MD1 . . 5.800 4.070 3.162 4.741 . 0 0 "[ . 1 . 2 . 3]" 1
297 1 24 ASP HB3 1 30 LEU MD2 . . 3.800 2.491 2.251 3.162 . 0 0 "[ . 1 . 2 . 3]" 1
298 1 25 GLU H 1 25 GLU HA . . 2.800 2.824 2.804 2.838 0.038 28 0 "[ . 1 . 2 . 3]" 1
299 1 25 GLU H 1 25 GLU QB . . 3.800 2.387 2.147 2.503 . 0 0 "[ . 1 . 2 . 3]" 1
300 1 25 GLU H 1 26 ASN H . . 2.800 2.811 2.717 2.863 0.063 1 0 "[ . 1 . 2 . 3]" 1
301 1 25 GLU H 1 27 GLY H . . 4.800 4.299 4.164 4.500 . 0 0 "[ . 1 . 2 . 3]" 1
302 1 25 GLU H 1 30 LEU MD2 . . 5.800 4.722 4.290 5.392 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 25 GLU HA 1 26 ASN H . . 3.600 3.410 3.265 3.533 . 0 0 "[ . 1 . 2 . 3]" 1
304 1 25 GLU HA 1 26 ASN HA . . 4.800 4.698 4.541 4.811 0.011 29 0 "[ . 1 . 2 . 3]" 1
305 1 25 GLU HA 1 27 GLY H . . 4.800 3.531 3.309 3.781 . 0 0 "[ . 1 . 2 . 3]" 1
306 1 25 GLU QB 1 26 ASN H . . 4.600 3.709 2.823 3.909 . 0 0 "[ . 1 . 2 . 3]" 1
307 1 25 GLU QG 1 26 ASN H . . 5.800 3.220 2.582 4.009 . 0 0 "[ . 1 . 2 . 3]" 1
308 1 25 GLU QG 1 26 ASN HB3 . . 5.800 4.995 4.558 5.639 . 0 0 "[ . 1 . 2 . 3]" 1
309 1 25 GLU QG 1 26 ASN QD . . 6.800 3.014 2.431 4.461 . 0 0 "[ . 1 . 2 . 3]" 1
310 1 26 ASN H 1 26 ASN HB2 . . 2.800 2.614 2.400 2.810 0.010 28 0 "[ . 1 . 2 . 3]" 1
311 1 26 ASN H 1 27 GLY H . . 2.800 2.500 2.236 2.799 . 0 0 "[ . 1 . 2 . 3]" 1
312 1 26 ASN H 1 28 ASN H . . 3.600 3.470 3.225 3.678 0.078 26 0 "[ . 1 . 2 . 3]" 1
313 1 26 ASN HA 1 26 ASN HB3 . . 2.800 2.437 2.332 2.603 . 0 0 "[ . 1 . 2 . 3]" 1
314 1 26 ASN HA 1 27 GLY H . . 3.600 3.255 3.115 3.390 . 0 0 "[ . 1 . 2 . 3]" 1
315 1 26 ASN HB2 1 28 ASN QD . . 4.600 3.442 2.808 4.540 . 0 0 "[ . 1 . 2 . 3]" 1
316 1 26 ASN HB3 1 27 GLY H . . 4.800 4.485 4.393 4.615 . 0 0 "[ . 1 . 2 . 3]" 1
317 1 26 ASN QD 1 28 ASN QD . . 6.800 4.998 3.038 6.308 . 0 0 "[ . 1 . 2 . 3]" 1
318 1 27 GLY H 1 28 ASN H . . 2.800 2.719 2.482 2.807 0.007 22 0 "[ . 1 . 2 . 3]" 1
319 1 28 ASN HA 1 29 TYR H . . 2.800 2.453 2.247 2.593 . 0 0 "[ . 1 . 2 . 3]" 1
320 1 28 ASN QB 1 29 TYR H . . 4.600 2.591 2.351 3.569 . 0 0 "[ . 1 . 2 . 3]" 1
321 1 29 TYR H 1 29 TYR HB2 . . 3.600 2.408 2.297 2.485 . 0 0 "[ . 1 . 2 . 3]" 1
322 1 29 TYR H 1 29 TYR QD . . 5.000 2.225 2.062 2.350 . 0 0 "[ . 1 . 2 . 3]" 1
323 1 29 TYR H 1 29 TYR QE . . 7.000 4.421 4.183 4.664 . 0 0 "[ . 1 . 2 . 3]" 1
324 1 29 TYR H 1 30 LEU H . . 4.800 4.593 4.551 4.639 . 0 0 "[ . 1 . 2 . 3]" 1
325 1 29 TYR H 1 46 PRO HA . . 4.800 3.390 3.084 3.911 . 0 0 "[ . 1 . 2 . 3]" 1
326 1 29 TYR HA 1 29 TYR HB3 . . 2.800 2.514 2.466 2.584 . 0 0 "[ . 1 . 2 . 3]" 1
327 1 29 TYR HA 1 30 LEU H . . 2.800 2.156 2.120 2.194 . 0 0 "[ . 1 . 2 . 3]" 1
328 1 29 TYR HA 1 33 GLN QE . . 4.600 3.217 3.024 3.642 . 0 0 "[ . 1 . 2 . 3]" 1
329 1 29 TYR HB2 1 30 LEU H . . 4.800 4.265 4.187 4.353 . 0 0 "[ . 1 . 2 . 3]" 1
330 1 29 TYR HB2 1 44 VAL MG2 . . 4.600 2.790 2.518 3.012 . 0 0 "[ . 1 . 2 . 3]" 1
331 1 29 TYR HB3 1 30 LEU H . . 3.600 3.240 3.150 3.392 . 0 0 "[ . 1 . 2 . 3]" 1
332 1 29 TYR HB3 1 33 GLN QG . . 5.800 3.485 3.062 4.098 . 0 0 "[ . 1 . 2 . 3]" 1
333 1 29 TYR HB3 1 44 VAL MG2 . . 3.800 2.228 2.046 2.360 . 0 0 "[ . 1 . 2 . 3]" 1
334 1 29 TYR QD 1 30 LEU H . . 7.000 4.123 3.929 4.390 . 0 0 "[ . 1 . 2 . 3]" 1
335 1 29 TYR QD 1 33 GLN QE . . 8.000 3.162 2.802 3.863 . 0 0 "[ . 1 . 2 . 3]" 1
336 1 29 TYR QD 1 44 VAL MG2 . . 6.000 3.475 2.429 3.834 . 0 0 "[ . 1 . 2 . 3]" 1
337 1 29 TYR QD 1 46 PRO HA . . 5.800 4.413 3.059 4.719 . 0 0 "[ . 1 . 2 . 3]" 1
338 1 29 TYR QD 1 47 ASN HA . . 5.800 2.976 2.694 3.706 . 0 0 "[ . 1 . 2 . 3]" 1
339 1 29 TYR QD 1 48 GLY H . . 7.000 3.403 3.178 3.649 . 0 0 "[ . 1 . 2 . 3]" 1
340 1 29 TYR QD 1 48 GLY QA . . 6.800 2.973 2.760 3.163 . 0 0 "[ . 1 . 2 . 3]" 1
341 1 29 TYR QE 1 47 ASN HA . . 5.800 3.701 2.441 4.180 . 0 0 "[ . 1 . 2 . 3]" 1
342 1 29 TYR QE 1 48 GLY H . . 7.000 4.783 3.824 5.061 . 0 0 "[ . 1 . 2 . 3]" 1
343 1 29 TYR QE 1 48 GLY QA . . 6.800 3.326 2.768 3.582 . 0 0 "[ . 1 . 2 . 3]" 1
344 1 30 LEU H 1 30 LEU QB . . 3.800 2.136 2.078 2.227 . 0 0 "[ . 1 . 2 . 3]" 1
345 1 30 LEU H 1 30 LEU HG . . 3.600 3.294 2.877 3.433 . 0 0 "[ . 1 . 2 . 3]" 1
346 1 30 LEU H 1 33 GLN QE . . 4.600 2.176 2.049 2.397 . 0 0 "[ . 1 . 2 . 3]" 1
347 1 30 LEU HA 1 30 LEU MD2 . . 4.600 2.224 2.142 2.280 . 0 0 "[ . 1 . 2 . 3]" 1
348 1 30 LEU HA 1 30 LEU HG . . 3.600 2.483 2.357 2.611 . 0 0 "[ . 1 . 2 . 3]" 1
349 1 30 LEU HA 1 31 PRO QD . . 3.800 2.092 2.023 2.302 . 0 0 "[ . 1 . 2 . 3]" 1
350 1 30 LEU HA 1 32 LEU H . . 4.800 4.225 3.961 4.396 . 0 0 "[ . 1 . 2 . 3]" 1
351 1 30 LEU QB 1 31 PRO QD . . 5.600 3.136 2.496 3.571 . 0 0 "[ . 1 . 2 . 3]" 1
352 1 30 LEU QB 1 32 LEU H . . 4.600 2.696 2.445 2.887 . 0 0 "[ . 1 . 2 . 3]" 1
353 1 30 LEU QB 1 33 GLN QE . . 5.600 2.356 2.138 2.589 . 0 0 "[ . 1 . 2 . 3]" 1
354 1 30 LEU MD1 1 31 PRO QD . . 6.800 4.241 3.893 4.570 . 0 0 "[ . 1 . 2 . 3]" 1
355 1 30 LEU MD2 1 31 PRO QD . . 5.600 2.072 1.963 2.494 . 0 0 "[ . 1 . 2 . 3]" 1
356 1 30 LEU HG 1 31 PRO QD . . 4.600 3.838 3.729 4.137 . 0 0 "[ . 1 . 2 . 3]" 1
357 1 30 LEU HG 1 33 GLN QE . . 5.800 4.478 4.259 4.708 . 0 0 "[ . 1 . 2 . 3]" 1
358 1 31 PRO HA 1 32 LEU H . . 3.600 3.469 3.362 3.556 . 0 0 "[ . 1 . 2 . 3]" 1
359 1 31 PRO HA 1 43 CYS HA . . 4.800 4.768 4.540 4.820 0.020 27 0 "[ . 1 . 2 . 3]" 1
360 1 31 PRO HA 1 44 VAL H . . 3.600 3.126 2.835 3.353 . 0 0 "[ . 1 . 2 . 3]" 1
361 1 31 PRO HA 1 62 CYS HB2 . . 4.800 4.618 4.362 4.856 0.056 10 0 "[ . 1 . 2 . 3]" 1
362 1 31 PRO HA 1 62 CYS HB3 . . 4.800 4.195 3.816 4.499 . 0 0 "[ . 1 . 2 . 3]" 1
363 1 31 PRO QB 1 32 LEU H . . 4.600 3.152 2.730 3.785 . 0 0 "[ . 1 . 2 . 3]" 1
364 1 31 PRO QB 1 43 CYS HB3 . . 5.800 4.209 3.902 4.505 . 0 0 "[ . 1 . 2 . 3]" 1
365 1 31 PRO QB 1 62 CYS H . . 5.800 4.774 4.319 5.165 . 0 0 "[ . 1 . 2 . 3]" 1
366 1 31 PRO QB 1 62 CYS HB2 . . 3.800 2.512 2.198 3.358 . 0 0 "[ . 1 . 2 . 3]" 1
367 1 31 PRO QB 1 62 CYS HB3 . . 4.600 2.576 2.229 3.016 . 0 0 "[ . 1 . 2 . 3]" 1
368 1 31 PRO QD 1 32 LEU H . . 4.600 3.184 2.810 3.506 . 0 0 "[ . 1 . 2 . 3]" 1
369 1 31 PRO QG 1 32 LEU H . . 5.800 4.146 2.830 4.554 . 0 0 "[ . 1 . 2 . 3]" 1
370 1 32 LEU H 1 32 LEU MD1 . . 5.800 4.441 4.354 4.522 . 0 0 "[ . 1 . 2 . 3]" 1
371 1 32 LEU H 1 32 LEU MD2 . . 5.800 4.405 4.315 4.523 . 0 0 "[ . 1 . 2 . 3]" 1
372 1 32 LEU H 1 33 GLN H . . 4.800 4.394 4.217 4.484 . 0 0 "[ . 1 . 2 . 3]" 1
373 1 32 LEU H 1 62 CYS HB2 . . 4.800 3.868 3.314 4.705 . 0 0 "[ . 1 . 2 . 3]" 1
374 1 32 LEU HA 1 33 GLN H . . 2.800 2.216 2.186 2.249 . 0 0 "[ . 1 . 2 . 3]" 1
375 1 32 LEU HA 1 43 CYS HA . . 2.800 2.251 2.184 2.302 . 0 0 "[ . 1 . 2 . 3]" 1
376 1 32 LEU HA 1 44 VAL H . . 3.600 3.512 3.401 3.626 0.026 27 0 "[ . 1 . 2 . 3]" 1
377 1 32 LEU QB 1 32 LEU HG . . 2.800 2.472 2.456 2.488 . 0 0 "[ . 1 . 2 . 3]" 1
378 1 32 LEU QB 1 33 GLN H . . 4.600 3.766 3.694 3.885 . 0 0 "[ . 1 . 2 . 3]" 1
379 1 32 LEU QB 1 41 CYS HB3 . . 5.800 4.978 4.730 5.183 . 0 0 "[ . 1 . 2 . 3]" 1
380 1 32 LEU MD1 1 33 GLN H . . 4.600 2.879 2.702 3.012 . 0 0 "[ . 1 . 2 . 3]" 1
381 1 32 LEU MD1 1 41 CYS HA . . 5.800 4.300 4.179 4.470 . 0 0 "[ . 1 . 2 . 3]" 1
382 1 32 LEU MD1 1 41 CYS HB2 . . 4.600 2.920 2.638 3.173 . 0 0 "[ . 1 . 2 . 3]" 1
383 1 32 LEU MD1 1 41 CYS HB3 . . 3.800 2.264 2.149 2.448 . 0 0 "[ . 1 . 2 . 3]" 1
384 1 32 LEU MD1 1 42 TRP H . . 4.600 3.248 3.140 3.378 . 0 0 "[ . 1 . 2 . 3]" 1
385 1 32 LEU MD1 1 43 CYS HA . . 4.600 3.086 2.978 3.215 . 0 0 "[ . 1 . 2 . 3]" 1
386 1 32 LEU MD1 1 59 HIS HA . . 5.800 2.599 2.296 3.378 . 0 0 "[ . 1 . 2 . 3]" 1
387 1 32 LEU MD1 1 59 HIS QB . . 6.800 3.709 3.070 4.854 . 0 0 "[ . 1 . 2 . 3]" 1
388 1 32 LEU MD1 1 59 HIS HD2 . . 5.800 3.860 3.417 4.476 . 0 0 "[ . 1 . 2 . 3]" 1
389 1 32 LEU MD1 1 60 HIS H . . 5.800 2.196 2.031 2.664 . 0 0 "[ . 1 . 2 . 3]" 1
390 1 32 LEU MD1 1 60 HIS QB . . 5.600 3.784 3.557 3.980 . 0 0 "[ . 1 . 2 . 3]" 1
391 1 32 LEU MD1 1 60 HIS HD2 . . 4.600 2.132 2.087 2.186 . 0 0 "[ . 1 . 2 . 3]" 1
392 1 32 LEU MD1 1 60 HIS HE1 . . 4.600 4.067 3.833 4.282 . 0 0 "[ . 1 . 2 . 3]" 1
393 1 32 LEU MD1 1 62 CYS H . . 5.800 3.341 2.688 3.751 . 0 0 "[ . 1 . 2 . 3]" 1
394 1 32 LEU MD2 1 41 CYS HB2 . . 5.800 4.136 3.701 4.431 . 0 0 "[ . 1 . 2 . 3]" 1
395 1 32 LEU MD2 1 41 CYS HB3 . . 4.600 3.450 3.174 3.734 . 0 0 "[ . 1 . 2 . 3]" 1
396 1 32 LEU MD2 1 59 HIS H . . 5.800 4.685 4.262 5.470 . 0 0 "[ . 1 . 2 . 3]" 1
397 1 32 LEU MD2 1 59 HIS HA . . 4.600 2.695 2.260 3.241 . 0 0 "[ . 1 . 2 . 3]" 1
398 1 32 LEU MD2 1 59 HIS QB . . 5.600 2.788 2.234 4.084 . 0 0 "[ . 1 . 2 . 3]" 1
399 1 32 LEU MD2 1 59 HIS HD2 . . 4.600 2.230 2.010 2.915 . 0 0 "[ . 1 . 2 . 3]" 1
400 1 32 LEU MD2 1 59 HIS HE1 . . 5.800 4.905 3.123 5.511 . 0 0 "[ . 1 . 2 . 3]" 1
401 1 32 LEU MD2 1 60 HIS H . . 3.800 2.721 2.317 3.161 . 0 0 "[ . 1 . 2 . 3]" 1
402 1 32 LEU MD2 1 60 HIS QB . . 6.800 5.116 4.803 5.488 . 0 0 "[ . 1 . 2 . 3]" 1
403 1 32 LEU MD2 1 60 HIS HD2 . . 4.600 4.304 4.197 4.395 . 0 0 "[ . 1 . 2 . 3]" 1
404 1 32 LEU HG 1 33 GLN H . . 3.600 2.785 2.622 3.069 . 0 0 "[ . 1 . 2 . 3]" 1
405 1 32 LEU HG 1 34 CYS H . . 4.800 4.758 4.561 4.832 0.032 23 0 "[ . 1 . 2 . 3]" 1
406 1 32 LEU HG 1 41 CYS HB2 . . 4.800 4.587 4.180 4.814 0.014 30 0 "[ . 1 . 2 . 3]" 1
407 1 32 LEU HG 1 41 CYS HB3 . . 3.600 3.081 2.735 3.308 . 0 0 "[ . 1 . 2 . 3]" 1
408 1 32 LEU HG 1 42 TRP H . . 4.800 4.038 3.808 4.344 . 0 0 "[ . 1 . 2 . 3]" 1
409 1 32 LEU HG 1 43 CYS HA . . 4.800 4.821 4.697 4.854 0.054 3 0 "[ . 1 . 2 . 3]" 1
410 1 32 LEU HG 1 59 HIS HD2 . . 4.800 4.250 3.787 4.847 0.047 10 0 "[ . 1 . 2 . 3]" 1
411 1 32 LEU HG 1 60 HIS H . . 4.800 4.585 4.245 4.873 0.073 9 0 "[ . 1 . 2 . 3]" 1
412 1 32 LEU HG 1 60 HIS HD2 . . 4.800 4.846 4.780 4.898 0.098 14 0 "[ . 1 . 2 . 3]" 1
413 1 33 GLN H 1 33 GLN HB2 . . 3.600 2.691 2.573 2.765 . 0 0 "[ . 1 . 2 . 3]" 1
414 1 33 GLN H 1 42 TRP H . . 3.600 2.966 2.869 3.037 . 0 0 "[ . 1 . 2 . 3]" 1
415 1 33 GLN H 1 43 CYS HA . . 3.600 3.255 3.165 3.451 . 0 0 "[ . 1 . 2 . 3]" 1
416 1 33 GLN H 1 44 VAL H . . 4.800 4.418 4.219 4.594 . 0 0 "[ . 1 . 2 . 3]" 1
417 1 33 GLN HA 1 33 GLN HB3 . . 2.800 2.479 2.447 2.511 . 0 0 "[ . 1 . 2 . 3]" 1
418 1 33 GLN HA 1 34 CYS H . . 2.800 2.300 2.211 2.347 . 0 0 "[ . 1 . 2 . 3]" 1
419 1 33 GLN HB2 1 34 CYS H . . 4.800 3.897 3.764 4.076 . 0 0 "[ . 1 . 2 . 3]" 1
420 1 33 GLN HB2 1 42 TRP H . . 4.800 3.764 3.507 3.977 . 0 0 "[ . 1 . 2 . 3]" 1
421 1 33 GLN HB2 1 42 TRP HD1 . . 4.800 3.682 3.499 3.981 . 0 0 "[ . 1 . 2 . 3]" 1
422 1 33 GLN HB2 1 42 TRP HE1 . . 4.800 2.852 2.658 3.039 . 0 0 "[ . 1 . 2 . 3]" 1
423 1 33 GLN HB2 1 42 TRP HZ2 . . 4.800 3.655 3.310 3.955 . 0 0 "[ . 1 . 2 . 3]" 1
424 1 33 GLN HB2 1 44 VAL QG . . 7.000 2.681 2.509 2.931 . 0 0 "[ . 1 . 2 . 3]" 1
425 1 33 GLN HB3 1 34 CYS H . . 3.600 2.848 2.719 3.041 . 0 0 "[ . 1 . 2 . 3]" 1
426 1 33 GLN HB3 1 42 TRP HZ2 . . 3.600 3.469 3.160 3.620 0.020 12 0 "[ . 1 . 2 . 3]" 1
427 1 33 GLN HB3 1 44 VAL QG . . 5.800 3.626 3.496 3.766 . 0 0 "[ . 1 . 2 . 3]" 1
428 1 33 GLN QE 1 44 VAL MG2 . . 5.600 2.630 2.430 3.302 . 0 0 "[ . 1 . 2 . 3]" 1
429 1 33 GLN QG 1 42 TRP HE1 . . 5.800 3.083 2.717 3.293 . 0 0 "[ . 1 . 2 . 3]" 1
430 1 33 GLN QG 1 42 TRP HZ2 . . 5.800 4.121 3.708 4.486 . 0 0 "[ . 1 . 2 . 3]" 1
431 1 33 GLN QG 1 44 VAL QG . . 6.000 1.813 1.766 1.873 . 0 0 "[ . 1 . 2 . 3]" 1
432 1 34 CYS H 1 34 CYS HB2 . . 3.600 2.735 2.652 2.817 . 0 0 "[ . 1 . 2 . 3]" 1
433 1 34 CYS H 1 41 CYS HA . . 4.800 4.624 4.512 4.686 . 0 0 "[ . 1 . 2 . 3]" 1
434 1 34 CYS HA 1 34 CYS HB3 . . 2.800 2.485 2.463 2.513 . 0 0 "[ . 1 . 2 . 3]" 1
435 1 34 CYS HA 1 35 TYR H . . 2.800 2.146 2.017 2.289 . 0 0 "[ . 1 . 2 . 3]" 1
436 1 34 CYS HA 1 41 CYS HA . . 2.800 1.996 1.935 2.044 . 0 0 "[ . 1 . 2 . 3]" 1
437 1 34 CYS HA 1 42 TRP H . . 3.600 3.553 3.471 3.615 0.015 27 0 "[ . 1 . 2 . 3]" 1
438 1 34 CYS HA 1 42 TRP HE3 . . 4.800 4.272 3.673 4.816 0.016 18 0 "[ . 1 . 2 . 3]" 1
439 1 34 CYS HA 1 42 TRP HZ3 . . 4.800 3.978 3.221 4.802 0.002 18 0 "[ . 1 . 2 . 3]" 1
440 1 34 CYS HB2 1 35 TYR H . . 4.800 4.021 3.687 4.344 . 0 0 "[ . 1 . 2 . 3]" 1
441 1 34 CYS HB3 1 35 TYR H . . 3.600 2.983 2.556 3.472 . 0 0 "[ . 1 . 2 . 3]" 1
442 1 34 CYS HB3 1 41 CYS HA . . 4.800 3.824 3.596 4.148 . 0 0 "[ . 1 . 2 . 3]" 1
443 1 35 TYR H 1 35 TYR HB2 . . 3.600 2.867 2.486 3.287 . 0 0 "[ . 1 . 2 . 3]" 1
444 1 35 TYR H 1 35 TYR HB3 . . 3.600 2.567 2.387 2.834 . 0 0 "[ . 1 . 2 . 3]" 1
445 1 35 TYR H 1 36 GLY H . . 4.800 3.577 3.184 4.200 . 0 0 "[ . 1 . 2 . 3]" 1
446 1 35 TYR H 1 40 TYR H . . 4.800 3.769 3.259 4.139 . 0 0 "[ . 1 . 2 . 3]" 1
447 1 35 TYR H 1 41 CYS HA . . 3.600 3.210 2.842 3.560 . 0 0 "[ . 1 . 2 . 3]" 1
448 1 35 TYR H 1 42 TRP HE3 . . 4.800 4.493 4.062 4.816 0.016 20 0 "[ . 1 . 2 . 3]" 1
449 1 35 TYR H 1 42 TRP HH2 . . 4.800 4.195 3.333 4.784 . 0 0 "[ . 1 . 2 . 3]" 1
450 1 35 TYR H 1 42 TRP HZ3 . . 3.600 3.169 2.337 3.616 0.016 9 0 "[ . 1 . 2 . 3]" 1
451 1 35 TYR HA 1 35 TYR HB2 . . 2.800 2.462 2.402 2.536 . 0 0 "[ . 1 . 2 . 3]" 1
452 1 35 TYR HA 1 36 GLY H . . 2.800 2.298 2.119 2.441 . 0 0 "[ . 1 . 2 . 3]" 1
453 1 35 TYR HA 1 42 TRP HH2 . . 4.800 4.190 3.473 4.800 0.000 20 0 "[ . 1 . 2 . 3]" 1
454 1 35 TYR HB2 1 38 ILE QG . . 5.800 4.088 3.872 5.185 . 0 0 "[ . 1 . 2 . 3]" 1
455 1 35 TYR HB2 1 42 TRP HH2 . . 2.800 2.227 2.082 2.482 . 0 0 "[ . 1 . 2 . 3]" 1
456 1 35 TYR HB2 1 42 TRP HZ2 . . 4.800 4.626 4.395 4.814 0.014 25 0 "[ . 1 . 2 . 3]" 1
457 1 35 TYR HB2 1 42 TRP HZ3 . . 3.600 2.512 2.244 2.999 . 0 0 "[ . 1 . 2 . 3]" 1
458 1 35 TYR HB3 1 38 ILE QG . . 4.600 2.778 2.397 3.999 . 0 0 "[ . 1 . 2 . 3]" 1
459 1 35 TYR HB3 1 42 TRP HH2 . . 3.600 3.640 3.496 3.709 0.109 23 0 "[ . 1 . 2 . 3]" 1
460 1 35 TYR HB3 1 42 TRP HZ3 . . 3.600 2.614 2.375 2.969 . 0 0 "[ . 1 . 2 . 3]" 1
461 1 35 TYR QD 1 36 GLY H . . 5.800 3.583 2.640 4.044 . 0 0 "[ . 1 . 2 . 3]" 1
462 1 35 TYR QD 1 42 TRP HH2 . . 5.800 3.263 2.378 4.120 . 0 0 "[ . 1 . 2 . 3]" 1
463 1 35 TYR QD 1 42 TRP HZ3 . . 7.000 3.375 2.544 4.172 . 0 0 "[ . 1 . 2 . 3]" 1
464 1 35 TYR QE 1 37 SER H . . 7.000 4.036 3.063 4.495 . 0 0 "[ . 1 . 2 . 3]" 1
465 1 35 TYR QE 1 37 SER QB . . 6.800 2.775 2.023 4.088 . 0 0 "[ . 1 . 2 . 3]" 1
466 1 35 TYR QE 1 38 ILE QG . . 8.000 3.523 2.930 3.922 . 0 0 "[ . 1 . 2 . 3]" 1
467 1 35 TYR QE 1 38 ILE MG . . 8.000 3.357 2.486 5.453 . 0 0 "[ . 1 . 2 . 3]" 1
468 1 36 GLY H 1 37 SER H . . 4.800 3.130 2.969 3.444 . 0 0 "[ . 1 . 2 . 3]" 1
469 1 36 GLY QA 1 37 SER H . . 4.600 2.797 2.370 3.009 . 0 0 "[ . 1 . 2 . 3]" 1
470 1 36 GLY QA 1 39 GLY H . . 5.800 2.966 2.629 3.779 . 0 0 "[ . 1 . 2 . 3]" 1
471 1 37 SER H 1 38 ILE H . . 3.600 2.908 2.471 3.047 . 0 0 "[ . 1 . 2 . 3]" 1
472 1 37 SER H 1 38 ILE QG . . 5.800 4.231 3.664 4.495 . 0 0 "[ . 1 . 2 . 3]" 1
473 1 37 SER H 1 39 GLY H . . 4.800 3.962 3.567 4.239 . 0 0 "[ . 1 . 2 . 3]" 1
474 1 37 SER HA 1 38 ILE H . . 3.600 3.527 3.483 3.589 . 0 0 "[ . 1 . 2 . 3]" 1
475 1 37 SER QB 1 38 ILE H . . 5.800 3.310 2.853 3.904 . 0 0 "[ . 1 . 2 . 3]" 1
476 1 38 ILE H 1 38 ILE HB . . 3.600 3.681 2.649 3.754 0.154 9 0 "[ . 1 . 2 . 3]" 1
477 1 38 ILE H 1 38 ILE MD . . 5.800 3.902 3.783 3.998 . 0 0 "[ . 1 . 2 . 3]" 1
478 1 38 ILE H 1 38 ILE QG . . 4.600 2.199 2.051 2.601 . 0 0 "[ . 1 . 2 . 3]" 1
479 1 38 ILE H 1 38 ILE MG . . 4.600 3.011 2.673 3.893 . 0 0 "[ . 1 . 2 . 3]" 1
480 1 38 ILE H 1 39 GLY H . . 2.800 2.087 1.919 2.410 . 0 0 "[ . 1 . 2 . 3]" 1
481 1 38 ILE H 1 40 TYR H . . 4.800 3.486 3.100 3.908 . 0 0 "[ . 1 . 2 . 3]" 1
482 1 38 ILE HA 1 39 GLY H . . 3.600 3.288 3.134 3.489 . 0 0 "[ . 1 . 2 . 3]" 1
483 1 38 ILE HB 1 39 GLY H . . 4.800 4.263 3.049 4.432 . 0 0 "[ . 1 . 2 . 3]" 1
484 1 38 ILE HB 1 40 TYR QD . . 5.800 3.028 2.321 4.384 . 0 0 "[ . 1 . 2 . 3]" 1
485 1 38 ILE HB 1 40 TYR QE . . 7.000 3.873 3.189 6.397 . 0 0 "[ . 1 . 2 . 3]" 1
486 1 38 ILE MD 1 40 TYR QD . . 6.000 2.696 2.076 4.396 . 0 0 "[ . 1 . 2 . 3]" 1
487 1 38 ILE MD 1 40 TYR QE . . 6.800 3.621 3.200 5.659 . 0 0 "[ . 1 . 2 . 3]" 1
488 1 38 ILE MD 1 42 TRP HH2 . . 5.800 5.103 4.365 5.461 . 0 0 "[ . 1 . 2 . 3]" 1
489 1 38 ILE MD 1 42 TRP HZ3 . . 5.800 3.902 2.877 4.711 . 0 0 "[ . 1 . 2 . 3]" 1
490 1 38 ILE QG 1 39 GLY H . . 4.600 3.201 2.601 4.079 . 0 0 "[ . 1 . 2 . 3]" 1
491 1 38 ILE QG 1 40 TYR H . . 4.600 2.278 1.939 4.439 . 0 0 "[ . 1 . 2 . 3]" 1
492 1 38 ILE QG 1 40 TYR QD . . 8.000 2.736 2.249 5.612 . 0 0 "[ . 1 . 2 . 3]" 1
493 1 38 ILE MG 1 39 GLY H . . 4.600 4.330 3.909 4.403 . 0 0 "[ . 1 . 2 . 3]" 1
494 1 38 ILE MG 1 40 TYR QD . . 6.800 4.313 2.913 4.950 . 0 0 "[ . 1 . 2 . 3]" 1
495 1 38 ILE MG 1 40 TYR QE . . 6.800 4.891 4.504 5.368 . 0 0 "[ . 1 . 2 . 3]" 1
496 1 39 GLY H 1 40 TYR H . . 2.800 2.787 2.378 2.860 0.060 3 0 "[ . 1 . 2 . 3]" 1
497 1 39 GLY QA 1 40 TYR H . . 4.600 2.906 2.533 2.991 . 0 0 "[ . 1 . 2 . 3]" 1
498 1 40 TYR HA 1 41 CYS H . . 2.800 2.234 2.078 2.365 . 0 0 "[ . 1 . 2 . 3]" 1
499 1 40 TYR HA 1 57 ARG HA . . 3.600 2.755 1.993 3.371 . 0 0 "[ . 1 . 2 . 3]" 1
500 1 40 TYR HA 1 58 GLY H . . 3.600 3.598 3.366 3.653 0.053 26 0 "[ . 1 . 2 . 3]" 1
501 1 40 TYR QB 1 42 TRP HZ3 . . 4.600 3.070 2.665 3.514 . 0 0 "[ . 1 . 2 . 3]" 1
502 1 40 TYR QB 1 55 ARG HE . . 5.800 5.219 4.293 5.665 . 0 0 "[ . 1 . 2 . 3]" 1
503 1 40 TYR QB 1 56 SER H . . 5.800 4.236 3.548 5.452 . 0 0 "[ . 1 . 2 . 3]" 1
504 1 40 TYR QD 1 41 CYS H . . 5.800 3.560 2.802 4.293 . 0 0 "[ . 1 . 2 . 3]" 1
505 1 40 TYR QD 1 55 ARG HA . . 7.000 4.343 3.508 5.292 . 0 0 "[ . 1 . 2 . 3]" 1
506 1 40 TYR QD 1 56 SER H . . 5.800 3.700 2.820 4.892 . 0 0 "[ . 1 . 2 . 3]" 1
507 1 40 TYR QD 1 56 SER HA . . 5.800 4.098 2.712 5.406 . 0 0 "[ . 1 . 2 . 3]" 1
508 1 40 TYR QD 1 56 SER QB . . 8.000 5.033 4.388 6.010 . 0 0 "[ . 1 . 2 . 3]" 1
509 1 40 TYR QD 1 57 ARG HA . . 5.800 3.393 2.464 4.170 . 0 0 "[ . 1 . 2 . 3]" 1
510 1 40 TYR QE 1 55 ARG HE . . 7.000 4.550 3.050 6.220 . 0 0 "[ . 1 . 2 . 3]" 1
511 1 40 TYR QE 1 56 SER HA . . 5.800 4.075 3.070 5.549 . 0 0 "[ . 1 . 2 . 3]" 1
512 1 40 TYR QE 1 56 SER QB . . 8.000 5.624 4.797 6.674 . 0 0 "[ . 1 . 2 . 3]" 1
513 1 40 TYR QE 1 57 ARG H . . 7.000 4.613 3.523 5.707 . 0 0 "[ . 1 . 2 . 3]" 1
514 1 40 TYR QE 1 57 ARG QG . . 5.800 3.351 2.248 4.985 . 0 0 "[ . 1 . 2 . 3]" 1
515 1 41 CYS H 1 41 CYS HB2 . . 3.600 2.902 2.635 3.002 . 0 0 "[ . 1 . 2 . 3]" 1
516 1 41 CYS H 1 56 SER H . . 3.600 3.007 2.795 3.306 . 0 0 "[ . 1 . 2 . 3]" 1
517 1 41 CYS H 1 57 ARG HA . . 4.800 4.118 3.303 4.612 . 0 0 "[ . 1 . 2 . 3]" 1
518 1 41 CYS H 1 58 GLY H . . 4.800 3.273 3.012 3.579 . 0 0 "[ . 1 . 2 . 3]" 1
519 1 41 CYS HA 1 41 CYS HB3 . . 2.800 2.431 2.408 2.453 . 0 0 "[ . 1 . 2 . 3]" 1
520 1 41 CYS HA 1 42 TRP H . . 2.800 2.309 2.268 2.349 . 0 0 "[ . 1 . 2 . 3]" 1
521 1 41 CYS HA 1 42 TRP HE3 . . 4.800 3.096 2.753 3.380 . 0 0 "[ . 1 . 2 . 3]" 1
522 1 41 CYS HA 1 42 TRP HZ3 . . 4.800 3.896 3.609 4.236 . 0 0 "[ . 1 . 2 . 3]" 1
523 1 41 CYS HB2 1 42 TRP H . . 3.600 3.531 3.456 3.615 0.015 13 0 "[ . 1 . 2 . 3]" 1
524 1 41 CYS HB2 1 60 HIS HD2 . . 4.800 4.845 4.814 4.877 0.077 5 0 "[ . 1 . 2 . 3]" 1
525 1 41 CYS HB2 1 60 HIS HE1 . . 3.600 3.091 2.726 3.456 . 0 0 "[ . 1 . 2 . 3]" 1
526 1 41 CYS HB3 1 42 TRP H . . 3.600 2.419 2.343 2.524 . 0 0 "[ . 1 . 2 . 3]" 1
527 1 41 CYS HB3 1 60 HIS HD2 . . 4.800 4.699 4.521 4.817 0.017 12 0 "[ . 1 . 2 . 3]" 1
528 1 41 CYS HB3 1 60 HIS HE1 . . 4.800 4.132 3.743 4.531 . 0 0 "[ . 1 . 2 . 3]" 1
529 1 42 TRP H 1 42 TRP HE3 . . 3.600 3.365 3.134 3.604 0.004 21 0 "[ . 1 . 2 . 3]" 1
530 1 42 TRP H 1 43 CYS H . . 4.800 4.338 4.292 4.372 . 0 0 "[ . 1 . 2 . 3]" 1
531 1 42 TRP HA 1 42 TRP HD1 . . 4.800 4.454 4.398 4.491 . 0 0 "[ . 1 . 2 . 3]" 1
532 1 42 TRP HA 1 42 TRP HE3 . . 4.800 4.258 4.171 4.336 . 0 0 "[ . 1 . 2 . 3]" 1
533 1 42 TRP HA 1 43 CYS H . . 2.800 2.397 2.337 2.446 . 0 0 "[ . 1 . 2 . 3]" 1
534 1 42 TRP HA 1 54 THR HB . . 4.800 2.849 2.653 3.039 . 0 0 "[ . 1 . 2 . 3]" 1
535 1 42 TRP HA 1 55 ARG H . . 4.800 4.173 3.873 4.749 . 0 0 "[ . 1 . 2 . 3]" 1
536 1 42 TRP HA 1 55 ARG HA . . 3.600 2.990 2.762 3.340 . 0 0 "[ . 1 . 2 . 3]" 1
537 1 42 TRP HA 1 56 SER H . . 4.800 3.645 3.490 3.827 . 0 0 "[ . 1 . 2 . 3]" 1
538 1 42 TRP HA 1 60 HIS HD2 . . 4.800 4.173 3.916 4.416 . 0 0 "[ . 1 . 2 . 3]" 1
539 1 42 TRP HA 1 60 HIS HE1 . . 3.600 2.897 2.734 3.089 . 0 0 "[ . 1 . 2 . 3]" 1
540 1 42 TRP QB 1 43 CYS H . . 4.600 2.406 2.330 2.513 . 0 0 "[ . 1 . 2 . 3]" 1
541 1 42 TRP QB 1 50 GLU QG . . 5.600 2.543 2.042 4.154 . 0 0 "[ . 1 . 2 . 3]" 1
542 1 42 TRP QB 1 55 ARG H . . 5.800 3.425 3.017 4.005 . 0 0 "[ . 1 . 2 . 3]" 1
543 1 42 TRP QB 1 55 ARG HA . . 4.600 2.251 2.010 2.636 . 0 0 "[ . 1 . 2 . 3]" 1
544 1 42 TRP QB 1 55 ARG QB . . 5.600 2.922 2.265 3.999 . 0 0 "[ . 1 . 2 . 3]" 1
545 1 42 TRP QB 1 55 ARG QG . . 6.800 3.254 2.093 4.482 . 0 0 "[ . 1 . 2 . 3]" 1
546 1 42 TRP QB 1 56 SER H . . 5.800 3.777 3.505 4.067 . 0 0 "[ . 1 . 2 . 3]" 1
547 1 42 TRP HD1 1 43 CYS H . . 3.600 3.654 3.622 3.679 0.079 24 0 "[ . 1 . 2 . 3]" 1
548 1 42 TRP HD1 1 44 VAL H . . 4.800 4.447 4.383 4.558 . 0 0 "[ . 1 . 2 . 3]" 1
549 1 42 TRP HD1 1 44 VAL HA . . 3.600 3.682 3.635 3.714 0.114 7 0 "[ . 1 . 2 . 3]" 1
550 1 42 TRP HD1 1 44 VAL HB . . 4.800 4.719 4.603 4.805 0.005 20 0 "[ . 1 . 2 . 3]" 1
551 1 42 TRP HD1 1 44 VAL MG1 . . 3.800 2.176 2.057 2.268 . 0 0 "[ . 1 . 2 . 3]" 1
552 1 42 TRP HD1 1 50 GLU H . . 4.800 4.785 4.642 4.820 0.020 24 0 "[ . 1 . 2 . 3]" 1
553 1 42 TRP HD1 1 50 GLU HA . . 2.800 2.610 2.432 2.800 . 0 0 "[ . 1 . 2 . 3]" 1
554 1 42 TRP HD1 1 50 GLU QB . . 4.600 2.909 2.186 3.237 . 0 0 "[ . 1 . 2 . 3]" 1
555 1 42 TRP HD1 1 50 GLU QG . . 4.600 2.706 2.264 4.409 . 0 0 "[ . 1 . 2 . 3]" 1
556 1 42 TRP HD1 1 51 VAL H . . 3.600 3.382 3.151 3.558 . 0 0 "[ . 1 . 2 . 3]" 1
557 1 42 TRP HD1 1 51 VAL MG2 . . 5.800 4.843 4.716 4.961 . 0 0 "[ . 1 . 2 . 3]" 1
558 1 42 TRP HE1 1 44 VAL MG1 . . 3.800 2.205 2.074 2.324 . 0 0 "[ . 1 . 2 . 3]" 1
559 1 42 TRP HE1 1 44 VAL MG2 . . 5.800 4.337 4.203 4.513 . 0 0 "[ . 1 . 2 . 3]" 1
560 1 42 TRP HE1 1 50 GLU HA . . 4.800 3.943 3.693 4.147 . 0 0 "[ . 1 . 2 . 3]" 1
561 1 42 TRP HE1 1 50 GLU QB . . 5.800 3.206 2.832 3.608 . 0 0 "[ . 1 . 2 . 3]" 1
562 1 42 TRP HE1 1 50 GLU QG . . 5.800 4.315 3.847 5.242 . 0 0 "[ . 1 . 2 . 3]" 1
563 1 42 TRP HE3 1 55 ARG HA . . 4.800 3.710 3.153 4.216 . 0 0 "[ . 1 . 2 . 3]" 1
564 1 42 TRP HE3 1 55 ARG QB . . 5.800 4.360 2.575 5.271 . 0 0 "[ . 1 . 2 . 3]" 1
565 1 42 TRP HZ2 1 44 VAL MG1 . . 5.800 4.286 4.065 4.469 . 0 0 "[ . 1 . 2 . 3]" 1
566 1 43 CYS H 1 43 CYS HB2 . . 3.600 2.576 2.477 2.671 . 0 0 "[ . 1 . 2 . 3]" 1
567 1 43 CYS H 1 44 VAL QG . . 7.000 4.455 4.349 4.536 . 0 0 "[ . 1 . 2 . 3]" 1
568 1 43 CYS H 1 50 GLU QG . . 5.800 4.056 3.409 5.656 . 0 0 "[ . 1 . 2 . 3]" 1
569 1 43 CYS H 1 51 VAL HB . . 4.800 3.441 3.248 3.625 . 0 0 "[ . 1 . 2 . 3]" 1
570 1 43 CYS H 1 51 VAL MG2 . . 5.800 4.307 4.031 4.530 . 0 0 "[ . 1 . 2 . 3]" 1
571 1 43 CYS H 1 54 THR HA . . 4.800 4.767 4.612 4.841 0.041 30 0 "[ . 1 . 2 . 3]" 1
572 1 43 CYS H 1 54 THR HB . . 2.800 2.589 2.370 2.800 . 0 0 "[ . 1 . 2 . 3]" 1
573 1 43 CYS H 1 54 THR MG . . 4.600 2.955 2.847 3.176 . 0 0 "[ . 1 . 2 . 3]" 1
574 1 43 CYS H 1 55 ARG HA . . 4.800 4.814 4.695 4.889 0.089 24 0 "[ . 1 . 2 . 3]" 1
575 1 43 CYS H 1 60 HIS HD2 . . 4.800 4.171 3.950 4.451 . 0 0 "[ . 1 . 2 . 3]" 1
576 1 43 CYS HA 1 43 CYS HB3 . . 2.800 2.458 2.430 2.491 . 0 0 "[ . 1 . 2 . 3]" 1
577 1 43 CYS HA 1 44 VAL H . . 2.800 2.309 2.277 2.354 . 0 0 "[ . 1 . 2 . 3]" 1
578 1 43 CYS HA 1 44 VAL HA . . 4.800 4.524 4.498 4.548 . 0 0 "[ . 1 . 2 . 3]" 1
579 1 43 CYS HA 1 44 VAL QG . . 5.800 3.376 3.260 3.454 . 0 0 "[ . 1 . 2 . 3]" 1
580 1 43 CYS HA 1 51 VAL MG2 . . 5.800 4.357 4.146 4.765 . 0 0 "[ . 1 . 2 . 3]" 1
581 1 43 CYS HA 1 54 THR MG . . 5.800 4.507 4.426 4.607 . 0 0 "[ . 1 . 2 . 3]" 1
582 1 43 CYS HA 1 62 CYS HB3 . . 4.800 3.747 3.463 4.352 . 0 0 "[ . 1 . 2 . 3]" 1
583 1 43 CYS HB2 1 44 VAL H . . 4.800 3.791 3.712 3.882 . 0 0 "[ . 1 . 2 . 3]" 1
584 1 43 CYS HB2 1 51 VAL HB . . 3.600 2.185 2.052 2.479 . 0 0 "[ . 1 . 2 . 3]" 1
585 1 43 CYS HB2 1 51 VAL MG1 . . 4.600 3.378 3.135 3.661 . 0 0 "[ . 1 . 2 . 3]" 1
586 1 43 CYS HB2 1 51 VAL MG2 . . 4.600 2.666 2.376 3.029 . 0 0 "[ . 1 . 2 . 3]" 1
587 1 43 CYS HB2 1 54 THR MG . . 3.800 2.191 2.095 2.338 . 0 0 "[ . 1 . 2 . 3]" 1
588 1 43 CYS HB3 1 44 VAL H . . 3.600 2.671 2.574 2.775 . 0 0 "[ . 1 . 2 . 3]" 1
589 1 43 CYS HB3 1 51 VAL HB . . 4.800 3.607 3.280 4.047 . 0 0 "[ . 1 . 2 . 3]" 1
590 1 43 CYS HB3 1 51 VAL MG2 . . 3.800 2.873 2.526 3.398 . 0 0 "[ . 1 . 2 . 3]" 1
591 1 43 CYS HB3 1 54 THR MG . . 4.600 3.609 3.513 3.689 . 0 0 "[ . 1 . 2 . 3]" 1
592 1 44 VAL H 1 44 VAL MG1 . . 4.600 3.125 3.067 3.162 . 0 0 "[ . 1 . 2 . 3]" 1
593 1 44 VAL H 1 44 VAL MG2 . . 3.800 2.335 2.265 2.398 . 0 0 "[ . 1 . 2 . 3]" 1
594 1 44 VAL H 1 45 PHE H . . 4.800 4.444 4.418 4.506 . 0 0 "[ . 1 . 2 . 3]" 1
595 1 44 VAL H 1 51 VAL MG2 . . 5.800 3.614 3.321 3.993 . 0 0 "[ . 1 . 2 . 3]" 1
596 1 44 VAL H 1 62 CYS HB3 . . 4.800 3.998 3.682 4.491 . 0 0 "[ . 1 . 2 . 3]" 1
597 1 44 VAL HA 1 45 PHE H . . 2.800 2.266 2.162 2.335 . 0 0 "[ . 1 . 2 . 3]" 1
598 1 44 VAL HA 1 45 PHE QD . . 7.000 4.215 4.046 4.726 . 0 0 "[ . 1 . 2 . 3]" 1
599 1 44 VAL HA 1 49 THR H . . 4.800 4.854 4.828 4.881 0.081 27 0 "[ . 1 . 2 . 3]" 1
600 1 44 VAL HA 1 50 GLU HA . . 3.600 2.336 2.025 2.599 . 0 0 "[ . 1 . 2 . 3]" 1
601 1 44 VAL HA 1 51 VAL H . . 3.600 2.837 2.646 3.232 . 0 0 "[ . 1 . 2 . 3]" 1
602 1 44 VAL HA 1 51 VAL MG2 . . 4.600 2.664 2.414 3.124 . 0 0 "[ . 1 . 2 . 3]" 1
603 1 44 VAL HB 1 45 PHE H . . 2.800 2.544 2.353 2.707 . 0 0 "[ . 1 . 2 . 3]" 1
604 1 44 VAL HB 1 45 PHE QD . . 7.000 4.984 4.765 5.410 . 0 0 "[ . 1 . 2 . 3]" 1
605 1 44 VAL HB 1 48 GLY H . . 4.800 3.280 3.190 3.413 . 0 0 "[ . 1 . 2 . 3]" 1
606 1 44 VAL HB 1 48 GLY QA . . 4.600 2.598 2.446 2.765 . 0 0 "[ . 1 . 2 . 3]" 1
607 1 44 VAL HB 1 49 THR H . . 4.800 3.472 3.307 3.739 . 0 0 "[ . 1 . 2 . 3]" 1
608 1 44 VAL HB 1 51 VAL MG2 . . 5.800 4.708 4.433 5.184 . 0 0 "[ . 1 . 2 . 3]" 1
609 1 44 VAL QG 1 45 PHE H . . 5.000 3.249 3.130 3.342 . 0 0 "[ . 1 . 2 . 3]" 1
610 1 44 VAL QG 1 50 GLU HA . . 7.000 2.114 2.040 2.248 . 0 0 "[ . 1 . 2 . 3]" 1
611 1 44 VAL MG2 1 48 GLY H . . 4.600 3.496 3.260 3.978 . 0 0 "[ . 1 . 2 . 3]" 1
612 1 45 PHE H 1 45 PHE HB2 . . 2.800 2.388 2.339 2.493 . 0 0 "[ . 1 . 2 . 3]" 1
613 1 45 PHE H 1 46 PRO QD . . 5.800 4.510 4.474 4.542 . 0 0 "[ . 1 . 2 . 3]" 1
614 1 45 PHE H 1 47 ASN H . . 4.800 4.770 4.438 4.824 0.024 5 0 "[ . 1 . 2 . 3]" 1
615 1 45 PHE H 1 49 THR H . . 4.800 3.360 3.218 3.449 . 0 0 "[ . 1 . 2 . 3]" 1
616 1 45 PHE H 1 49 THR HA . . 4.800 4.635 4.459 4.784 . 0 0 "[ . 1 . 2 . 3]" 1
617 1 45 PHE H 1 49 THR HB . . 4.800 3.369 2.926 3.727 . 0 0 "[ . 1 . 2 . 3]" 1
618 1 45 PHE H 1 50 GLU HA . . 4.800 3.953 3.552 4.150 . 0 0 "[ . 1 . 2 . 3]" 1
619 1 45 PHE H 1 51 VAL MG2 . . 4.600 3.390 3.130 4.011 . 0 0 "[ . 1 . 2 . 3]" 1
620 1 45 PHE HA 1 45 PHE HB3 . . 2.800 2.521 2.485 2.556 . 0 0 "[ . 1 . 2 . 3]" 1
621 1 45 PHE HA 1 46 PRO QD . . 3.800 2.136 2.071 2.329 . 0 0 "[ . 1 . 2 . 3]" 1
622 1 45 PHE HA 1 47 ASN H . . 4.800 4.464 4.346 4.572 . 0 0 "[ . 1 . 2 . 3]" 1
623 1 45 PHE HB2 1 46 PRO QD . . 4.600 3.590 3.473 3.719 . 0 0 "[ . 1 . 2 . 3]" 1
624 1 45 PHE HB2 1 47 ASN H . . 3.600 3.448 3.338 3.568 . 0 0 "[ . 1 . 2 . 3]" 1
625 1 45 PHE HB2 1 48 GLY H . . 4.800 3.953 3.750 4.225 . 0 0 "[ . 1 . 2 . 3]" 1
626 1 45 PHE HB2 1 49 THR H . . 3.600 3.089 2.936 3.210 . 0 0 "[ . 1 . 2 . 3]" 1
627 1 45 PHE HB2 1 49 THR HB . . 4.800 2.482 2.184 2.869 . 0 0 "[ . 1 . 2 . 3]" 1
628 1 45 PHE HB2 1 51 VAL MG2 . . 5.800 4.670 4.401 5.036 . 0 0 "[ . 1 . 2 . 3]" 1
629 1 45 PHE HB3 1 46 PRO QD . . 3.800 2.267 2.146 2.460 . 0 0 "[ . 1 . 2 . 3]" 1
630 1 45 PHE HB3 1 46 PRO QG . . 5.800 4.276 3.870 4.499 . 0 0 "[ . 1 . 2 . 3]" 1
631 1 45 PHE HB3 1 47 ASN H . . 3.600 3.397 3.014 3.613 0.013 5 0 "[ . 1 . 2 . 3]" 1
632 1 45 PHE HB3 1 49 THR H . . 4.800 4.587 4.404 4.740 . 0 0 "[ . 1 . 2 . 3]" 1
633 1 45 PHE HB3 1 51 VAL MG2 . . 5.800 5.106 4.678 5.454 . 0 0 "[ . 1 . 2 . 3]" 1
634 1 45 PHE QD 1 46 PRO QD . . 6.000 2.986 2.704 3.358 . 0 0 "[ . 1 . 2 . 3]" 1
635 1 45 PHE QD 1 46 PRO QG . . 8.000 4.747 4.461 5.154 . 0 0 "[ . 1 . 2 . 3]" 1
636 1 45 PHE QD 1 47 ASN H . . 7.000 5.179 4.955 5.340 . 0 0 "[ . 1 . 2 . 3]" 1
637 1 45 PHE QD 1 49 THR H . . 7.000 4.192 4.003 4.456 . 0 0 "[ . 1 . 2 . 3]" 1
638 1 45 PHE QD 1 49 THR HB . . 5.000 2.281 2.113 2.468 . 0 0 "[ . 1 . 2 . 3]" 1
639 1 45 PHE QD 1 49 THR MG . . 6.000 2.659 2.338 3.064 . 0 0 "[ . 1 . 2 . 3]" 1
640 1 45 PHE QD 1 51 VAL HA . . 5.800 4.446 4.008 5.381 . 0 0 "[ . 1 . 2 . 3]" 1
641 1 45 PHE QD 1 51 VAL MG1 . . 8.000 4.992 4.557 5.396 . 0 0 "[ . 1 . 2 . 3]" 1
642 1 45 PHE QD 1 51 VAL MG2 . . 6.800 3.354 3.153 3.616 . 0 0 "[ . 1 . 2 . 3]" 1
643 1 45 PHE QD 1 52 PRO QD . . 8.000 5.051 4.500 5.940 . 0 0 "[ . 1 . 2 . 3]" 1
644 1 45 PHE QE 1 49 THR MG . . 6.800 3.432 3.073 3.768 . 0 0 "[ . 1 . 2 . 3]" 1
645 1 45 PHE QE 1 51 VAL HA . . 5.000 3.119 2.514 4.511 . 0 0 "[ . 1 . 2 . 3]" 1
646 1 45 PHE QE 1 51 VAL HB . . 7.000 5.286 5.080 5.429 . 0 0 "[ . 1 . 2 . 3]" 1
647 1 45 PHE QE 1 51 VAL MG1 . . 6.000 3.705 3.359 4.060 . 0 0 "[ . 1 . 2 . 3]" 1
648 1 45 PHE QE 1 51 VAL MG2 . . 6.800 2.846 2.675 3.015 . 0 0 "[ . 1 . 2 . 3]" 1
649 1 45 PHE QE 1 52 PRO QD . . 6.000 3.591 2.536 4.760 . 0 0 "[ . 1 . 2 . 3]" 1
650 1 46 PRO HA 1 47 ASN H . . 3.600 3.494 3.382 3.546 . 0 0 "[ . 1 . 2 . 3]" 1
651 1 46 PRO HA 1 48 GLY H . . 4.800 3.773 3.567 3.889 . 0 0 "[ . 1 . 2 . 3]" 1
652 1 46 PRO QB 1 47 ASN H . . 5.800 3.106 2.827 3.721 . 0 0 "[ . 1 . 2 . 3]" 1
653 1 46 PRO QD 1 47 ASN H . . 5.600 3.158 2.993 3.438 . 0 0 "[ . 1 . 2 . 3]" 1
654 1 47 ASN H 1 47 ASN HA . . 2.800 2.892 2.874 2.933 0.133 19 0 "[ . 1 . 2 . 3]" 1
655 1 47 ASN H 1 47 ASN HB3 . . 3.600 2.574 2.395 2.885 . 0 0 "[ . 1 . 2 . 3]" 1
656 1 47 ASN H 1 48 GLY H . . 2.800 2.565 2.203 2.721 . 0 0 "[ . 1 . 2 . 3]" 1
657 1 47 ASN H 1 49 THR H . . 4.800 3.642 3.066 3.954 . 0 0 "[ . 1 . 2 . 3]" 1
658 1 47 ASN HA 1 47 ASN HB2 . . 2.800 2.394 2.331 2.493 . 0 0 "[ . 1 . 2 . 3]" 1
659 1 47 ASN HA 1 47 ASN HB3 . . 2.800 2.517 2.402 2.588 . 0 0 "[ . 1 . 2 . 3]" 1
660 1 47 ASN HA 1 47 ASN QD . . 4.600 4.267 4.210 4.410 . 0 0 "[ . 1 . 2 . 3]" 1
661 1 47 ASN HA 1 48 GLY H . . 3.600 3.381 3.273 3.435 . 0 0 "[ . 1 . 2 . 3]" 1
662 1 47 ASN QD 1 49 THR HB . . 5.800 3.228 2.606 3.832 . 0 0 "[ . 1 . 2 . 3]" 1
663 1 47 ASN QD 1 49 THR MG . . 5.600 3.754 3.401 4.382 . 0 0 "[ . 1 . 2 . 3]" 1
664 1 48 GLY H 1 49 THR H . . 2.800 2.486 2.401 2.617 . 0 0 "[ . 1 . 2 . 3]" 1
665 1 48 GLY QA 1 49 THR H . . 4.600 2.995 2.971 3.023 . 0 0 "[ . 1 . 2 . 3]" 1
666 1 49 THR H 1 49 THR HB . . 2.800 2.550 2.420 2.684 . 0 0 "[ . 1 . 2 . 3]" 1
667 1 49 THR H 1 50 GLU H . . 4.800 4.518 4.394 4.644 . 0 0 "[ . 1 . 2 . 3]" 1
668 1 49 THR HA 1 50 GLU H . . 2.800 2.188 2.129 2.272 . 0 0 "[ . 1 . 2 . 3]" 1
669 1 49 THR HB 1 50 GLU H . . 4.800 4.310 4.110 4.438 . 0 0 "[ . 1 . 2 . 3]" 1
670 1 49 THR MG 1 50 GLU H . . 3.800 2.959 2.672 3.208 . 0 0 "[ . 1 . 2 . 3]" 1
671 1 50 GLU H 1 50 GLU QB . . 3.800 2.242 2.140 2.599 . 0 0 "[ . 1 . 2 . 3]" 1
672 1 50 GLU HA 1 51 VAL H . . 2.800 2.149 2.085 2.307 . 0 0 "[ . 1 . 2 . 3]" 1
673 1 50 GLU HA 1 51 VAL MG2 . . 5.800 3.664 3.592 3.787 . 0 0 "[ . 1 . 2 . 3]" 1
674 1 50 GLU QG 1 51 VAL H . . 5.800 2.644 2.317 3.560 . 0 0 "[ . 1 . 2 . 3]" 1
675 1 50 GLU QG 1 53 ASN H . . 5.800 4.656 4.034 5.161 . 0 0 "[ . 1 . 2 . 3]" 1
676 1 51 VAL H 1 54 THR MG . . 5.800 4.285 4.092 4.669 . 0 0 "[ . 1 . 2 . 3]" 1
677 1 51 VAL HA 1 52 PRO QD . . 3.800 2.080 2.007 2.195 . 0 0 "[ . 1 . 2 . 3]" 1
678 1 51 VAL HA 1 54 THR MG . . 5.800 4.592 4.457 4.852 . 0 0 "[ . 1 . 2 . 3]" 1
679 1 51 VAL HB 1 52 PRO QD . . 5.800 4.330 4.229 4.517 . 0 0 "[ . 1 . 2 . 3]" 1
680 1 51 VAL HB 1 54 THR MG . . 4.600 2.457 2.285 2.777 . 0 0 "[ . 1 . 2 . 3]" 1
681 1 51 VAL QG 1 52 PRO QD . . 6.000 2.747 2.518 3.174 . 0 0 "[ . 1 . 2 . 3]" 1
682 1 51 VAL MG1 1 52 PRO QD . . 5.600 2.820 2.563 3.324 . 0 0 "[ . 1 . 2 . 3]" 1
683 1 51 VAL MG1 1 54 THR MG . . 4.800 2.352 2.201 2.590 . 0 0 "[ . 1 . 2 . 3]" 1
684 1 51 VAL MG2 1 52 PRO QD . . 6.800 3.830 3.670 4.058 . 0 0 "[ . 1 . 2 . 3]" 1
685 1 51 VAL MG2 1 54 THR MG . . 5.600 3.502 3.194 3.720 . 0 0 "[ . 1 . 2 . 3]" 1
686 1 51 VAL MG2 1 62 CYS HB3 . . 5.800 4.832 4.296 5.470 . 0 0 "[ . 1 . 2 . 3]" 1
687 1 52 PRO HA 1 53 ASN H . . 2.800 2.513 2.044 3.140 0.340 5 0 "[ . 1 . 2 . 3]" 1
688 1 52 PRO HA 1 53 ASN HA . . 4.800 4.408 4.217 4.712 . 0 0 "[ . 1 . 2 . 3]" 1
689 1 52 PRO HA 1 54 THR H . . 3.600 3.466 3.220 3.657 0.057 23 0 "[ . 1 . 2 . 3]" 1
690 1 52 PRO QB 1 53 ASN H . . 4.600 3.144 2.571 3.967 . 0 0 "[ . 1 . 2 . 3]" 1
691 1 52 PRO QB 1 53 ASN QD . . 5.600 3.605 2.709 5.224 . 0 0 "[ . 1 . 2 . 3]" 1
692 1 52 PRO QD 1 53 ASN H . . 5.800 4.315 2.850 4.943 . 0 0 "[ . 1 . 2 . 3]" 1
693 1 53 ASN H 1 53 ASN HA . . 2.800 2.485 2.210 2.939 0.139 2 0 "[ . 1 . 2 . 3]" 1
694 1 53 ASN H 1 53 ASN HB2 . . 3.600 3.305 2.639 3.717 0.117 14 0 "[ . 1 . 2 . 3]" 1
695 1 53 ASN H 1 54 THR H . . 3.600 2.713 1.790 3.174 . 0 0 "[ . 1 . 2 . 3]" 1
696 1 53 ASN HA 1 53 ASN HB3 . . 2.800 2.463 2.393 2.577 . 0 0 "[ . 1 . 2 . 3]" 1
697 1 53 ASN HA 1 54 THR H . . 3.600 3.319 3.109 3.418 . 0 0 "[ . 1 . 2 . 3]" 1
698 1 53 ASN HA 1 55 ARG H . . 3.600 3.611 3.356 3.714 0.114 5 0 "[ . 1 . 2 . 3]" 1
699 1 53 ASN HB2 1 54 THR H . . 4.800 3.719 3.274 4.179 . 0 0 "[ . 1 . 2 . 3]" 1
700 1 53 ASN HB2 1 54 THR MG . . 5.800 4.107 3.124 4.829 . 0 0 "[ . 1 . 2 . 3]" 1
701 1 53 ASN HB3 1 54 THR H . . 4.800 4.405 4.221 4.576 . 0 0 "[ . 1 . 2 . 3]" 1
702 1 54 THR H 1 54 THR MG . . 3.800 2.535 2.394 2.713 . 0 0 "[ . 1 . 2 . 3]" 1
703 1 54 THR H 1 55 ARG H . . 2.800 2.388 2.258 2.493 . 0 0 "[ . 1 . 2 . 3]" 1
704 1 54 THR H 1 55 ARG HA . . 4.800 4.832 4.605 4.904 0.104 18 0 "[ . 1 . 2 . 3]" 1
705 1 54 THR H 1 55 ARG QB . . 5.800 4.142 3.928 4.730 . 0 0 "[ . 1 . 2 . 3]" 1
706 1 54 THR HA 1 55 ARG H . . 3.600 3.450 3.299 3.530 . 0 0 "[ . 1 . 2 . 3]" 1
707 1 54 THR HB 1 55 ARG H . . 4.800 4.040 3.852 4.433 . 0 0 "[ . 1 . 2 . 3]" 1
708 1 54 THR HB 1 60 HIS HD2 . . 3.600 3.657 3.627 3.691 0.091 25 0 "[ . 1 . 2 . 3]" 1
709 1 54 THR HB 1 60 HIS HE1 . . 3.600 3.674 3.639 3.710 0.110 14 0 "[ . 1 . 2 . 3]" 1
710 1 54 THR MG 1 55 ARG H . . 5.800 4.152 3.997 4.314 . 0 0 "[ . 1 . 2 . 3]" 1
711 1 54 THR MG 1 60 HIS HD2 . . 5.800 4.183 4.063 4.338 . 0 0 "[ . 1 . 2 . 3]" 1
712 1 54 THR MG 1 60 HIS HE1 . . 5.800 5.098 4.999 5.147 . 0 0 "[ . 1 . 2 . 3]" 1
713 1 55 ARG H 1 55 ARG QB . . 3.800 2.258 2.116 2.705 . 0 0 "[ . 1 . 2 . 3]" 1
714 1 55 ARG H 1 55 ARG QD . . 5.800 4.543 2.892 4.901 . 0 0 "[ . 1 . 2 . 3]" 1
715 1 55 ARG H 1 55 ARG HE . . 4.800 4.502 3.147 4.905 0.105 3 0 "[ . 1 . 2 . 3]" 1
716 1 55 ARG H 1 56 SER H . . 4.800 4.351 4.196 4.477 . 0 0 "[ . 1 . 2 . 3]" 1
717 1 55 ARG HA 1 55 ARG HE . . 4.800 3.731 3.083 4.339 . 0 0 "[ . 1 . 2 . 3]" 1
718 1 55 ARG HA 1 56 SER H . . 2.800 2.130 2.030 2.231 . 0 0 "[ . 1 . 2 . 3]" 1
719 1 55 ARG HA 1 56 SER HA . . 4.800 4.478 4.424 4.519 . 0 0 "[ . 1 . 2 . 3]" 1
720 1 55 ARG HA 1 60 HIS HE1 . . 4.800 3.596 3.120 4.163 . 0 0 "[ . 1 . 2 . 3]" 1
721 1 55 ARG QB 1 55 ARG HE . . 3.800 2.403 1.883 3.860 0.060 24 0 "[ . 1 . 2 . 3]" 1
722 1 55 ARG QB 1 56 SER H . . 5.800 3.859 3.079 4.062 . 0 0 "[ . 1 . 2 . 3]" 1
723 1 55 ARG QG 1 56 SER H . . 4.600 3.703 2.977 4.587 . 0 0 "[ . 1 . 2 . 3]" 1
724 1 56 SER H 1 57 ARG H . . 4.800 4.442 4.359 4.528 . 0 0 "[ . 1 . 2 . 3]" 1
725 1 56 SER H 1 60 HIS HE1 . . 3.600 2.448 2.159 2.694 . 0 0 "[ . 1 . 2 . 3]" 1
726 1 56 SER HA 1 57 ARG H . . 2.800 2.351 2.239 2.474 . 0 0 "[ . 1 . 2 . 3]" 1
727 1 56 SER HA 1 60 HIS HE1 . . 4.800 4.515 4.277 4.808 0.008 20 0 "[ . 1 . 2 . 3]" 1
728 1 56 SER QB 1 57 ARG H . . 4.600 2.762 2.248 3.430 . 0 0 "[ . 1 . 2 . 3]" 1
729 1 56 SER QB 1 58 GLY H . . 5.800 2.773 2.435 3.177 . 0 0 "[ . 1 . 2 . 3]" 1
730 1 56 SER QB 1 60 HIS HD2 . . 5.800 5.616 5.439 5.680 . 0 0 "[ . 1 . 2 . 3]" 1
731 1 57 ARG H 1 57 ARG HB2 . . 2.800 2.301 1.949 2.680 . 0 0 "[ . 1 . 2 . 3]" 1
732 1 57 ARG H 1 57 ARG HE . . 4.800 4.181 2.484 4.863 0.063 24 0 "[ . 1 . 2 . 3]" 1
733 1 57 ARG H 1 58 GLY H . . 2.800 2.859 2.806 2.928 0.128 24 0 "[ . 1 . 2 . 3]" 1
734 1 57 ARG HA 1 57 ARG HB3 . . 2.800 2.643 2.367 2.968 0.168 8 0 "[ . 1 . 2 . 3]" 1
735 1 57 ARG HA 1 58 GLY H . . 3.600 3.121 2.655 3.401 . 0 0 "[ . 1 . 2 . 3]" 1
736 1 57 ARG HB3 1 58 GLY H . . 4.800 4.153 3.536 4.513 . 0 0 "[ . 1 . 2 . 3]" 1
737 1 57 ARG QD 1 58 GLY H . . 5.800 5.215 4.343 5.706 . 0 0 "[ . 1 . 2 . 3]" 1
738 1 57 ARG QG 1 58 GLY H . . 5.800 4.715 4.201 4.944 . 0 0 "[ . 1 . 2 . 3]" 1
739 1 58 GLY H 1 59 HIS H . . 4.800 4.388 4.322 4.439 . 0 0 "[ . 1 . 2 . 3]" 1
740 1 58 GLY QA 1 59 HIS H . . 3.800 2.233 2.151 2.283 . 0 0 "[ . 1 . 2 . 3]" 1
741 1 58 GLY QA 1 59 HIS HD2 . . 5.800 5.033 3.318 5.688 . 0 0 "[ . 1 . 2 . 3]" 1
742 1 59 HIS H 1 59 HIS QB . . 3.800 2.455 2.054 2.661 . 0 0 "[ . 1 . 2 . 3]" 1
743 1 59 HIS HA 1 59 HIS HD2 . . 3.600 2.994 2.588 3.386 . 0 0 "[ . 1 . 2 . 3]" 1
744 1 59 HIS HA 1 60 HIS H . . 2.800 2.356 2.241 2.456 . 0 0 "[ . 1 . 2 . 3]" 1
745 1 59 HIS HA 1 60 HIS HA . . 4.800 4.561 4.496 4.608 . 0 0 "[ . 1 . 2 . 3]" 1
746 1 59 HIS QB 1 60 HIS H . . 4.600 2.736 2.386 3.528 . 0 0 "[ . 1 . 2 . 3]" 1
747 1 60 HIS H 1 61 ASN H . . 4.800 4.369 4.287 4.416 . 0 0 "[ . 1 . 2 . 3]" 1
748 1 60 HIS HA 1 61 ASN H . . 2.800 2.486 2.362 2.752 . 0 0 "[ . 1 . 2 . 3]" 1
749 1 60 HIS QB 1 61 ASN H . . 3.800 2.398 2.075 2.577 . 0 0 "[ . 1 . 2 . 3]" 1
750 1 60 HIS QB 1 61 ASN HB3 . . 5.800 5.529 5.400 5.666 . 0 0 "[ . 1 . 2 . 3]" 1
751 1 60 HIS HD2 1 61 ASN H . . 4.800 4.663 3.823 4.831 0.031 25 0 "[ . 1 . 2 . 3]" 1
752 1 61 ASN H 1 61 ASN HA . . 2.800 2.879 2.825 2.930 0.130 27 0 "[ . 1 . 2 . 3]" 1
753 1 61 ASN H 1 61 ASN HB2 . . 2.800 2.402 2.310 2.639 . 0 0 "[ . 1 . 2 . 3]" 1
754 1 61 ASN H 1 62 CYS H . . 3.600 3.597 3.102 3.666 0.066 20 0 "[ . 1 . 2 . 3]" 1
755 1 61 ASN H 1 62 CYS HA . . 4.800 4.865 4.650 4.929 0.129 15 0 "[ . 1 . 2 . 3]" 1
756 1 61 ASN HA 1 62 CYS H . . 2.800 2.484 2.083 2.832 0.032 10 0 "[ . 1 . 2 . 3]" 1
757 1 61 ASN HB3 1 62 CYS H . . 4.800 4.366 3.973 4.525 . 0 0 "[ . 1 . 2 . 3]" 1
758 1 62 CYS H 1 62 CYS HB2 . . 2.800 2.626 2.465 2.721 . 0 0 "[ . 1 . 2 . 3]" 1
759 1 62 CYS H 1 63 SER H . . 4.800 4.501 4.166 4.760 . 0 0 "[ . 1 . 2 . 3]" 1
760 1 62 CYS HA 1 62 CYS HB3 . . 2.800 2.456 2.364 2.515 . 0 0 "[ . 1 . 2 . 3]" 1
761 1 62 CYS HA 1 63 SER H . . 2.800 2.256 2.020 2.670 . 0 0 "[ . 1 . 2 . 3]" 1
762 1 62 CYS HA 1 63 SER QB . . 5.800 4.417 4.046 4.890 . 0 0 "[ . 1 . 2 . 3]" 1
763 1 62 CYS HA 1 64 GLU H . . 4.800 4.102 3.172 4.816 0.016 6 0 "[ . 1 . 2 . 3]" 1
764 1 62 CYS HB3 1 63 SER H . . 3.600 3.191 2.156 3.714 0.114 24 0 "[ . 1 . 2 . 3]" 1
765 1 62 CYS HB3 1 64 GLU H . . 4.800 3.941 2.831 4.954 0.154 4 0 "[ . 1 . 2 . 3]" 1
766 1 63 SER H 1 63 SER HA . . 2.800 2.783 2.230 2.942 0.142 12 0 "[ . 1 . 2 . 3]" 1
767 1 63 SER HA 1 64 GLU H . . 2.800 2.722 2.335 2.926 0.126 13 0 "[ . 1 . 2 . 3]" 1
768 1 63 SER QB 1 64 GLU H . . 4.600 3.853 3.714 4.051 . 0 0 "[ . 1 . 2 . 3]" 1
769 1 64 GLU H 1 65 SER H . . 3.600 2.826 1.956 3.746 0.146 6 0 "[ . 1 . 2 . 3]" 1
770 1 64 GLU HA 1 65 SER H . . 2.800 2.848 2.380 2.957 0.157 28 0 "[ . 1 . 2 . 3]" 1
771 1 64 GLU QB 1 65 SER H . . 4.600 3.802 3.483 4.004 . 0 0 "[ . 1 . 2 . 3]" 1
772 1 64 GLU QG 1 65 SER H . . 5.800 4.517 3.499 4.966 . 0 0 "[ . 1 . 2 . 3]" 1
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