NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
439508 |
2k6s   |
15880 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k6s
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 618
_Distance_constraint_stats_list.Viol_count 509
_Distance_constraint_stats_list.Viol_total 3265.103
_Distance_constraint_stats_list.Viol_max 1.169
_Distance_constraint_stats_list.Viol_rms 0.0679
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0059
_Distance_constraint_stats_list.Viol_average_violations_only 0.2138
_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 2 SER 33.222 1.148 25 30 [*************-**********+*****]
1 3 LEU 0.021 0.021 4 0 "[ . 1 . 2 . 3]"
1 4 THR 2.871 0.337 14 0 "[ . 1 . 2 . 3]"
1 5 TYR 73.104 1.169 14 30 [*************+**********-*****]
1 6 GLU 1.421 0.337 14 0 "[ . 1 . 2 . 3]"
1 7 GLU 0.426 0.085 14 0 "[ . 1 . 2 . 3]"
1 8 VAL 14.954 0.675 15 4 "[ . 1 + 2 - * *3]"
1 9 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 10 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 11 GLU 0.046 0.046 22 0 "[ . 1 . 2 . 3]"
1 12 LEU 2.085 0.415 1 0 "[ . 1 . 2 . 3]"
1 13 VAL 0.018 0.016 7 0 "[ . 1 . 2 . 3]"
1 14 LYS 0.046 0.046 22 0 "[ . 1 . 2 . 3]"
1 15 HIS 2.454 0.415 1 0 "[ . 1 . 2 . 3]"
1 16 LYS 0.361 0.085 21 0 "[ . 1 . 2 . 3]"
1 17 GLU 0.018 0.016 7 0 "[ . 1 . 2 . 3]"
1 18 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 19 LEU 0.009 0.009 4 0 "[ . 1 . 2 . 3]"
1 20 ARG 0.711 0.071 25 0 "[ . 1 . 2 . 3]"
1 21 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 22 LYS 0.183 0.075 12 0 "[ . 1 . 2 . 3]"
1 23 ASP 0.611 0.071 25 0 "[ . 1 . 2 . 3]"
1 24 THR 4.859 0.549 3 4 "[ + . * * . - 2 . 3]"
1 25 HIS 1.430 0.086 27 0 "[ . 1 . 2 . 3]"
1 26 ILE 0.108 0.046 11 0 "[ . 1 . 2 . 3]"
1 27 ARG 0.008 0.008 26 0 "[ . 1 . 2 . 3]"
1 28 GLU 6.580 0.549 3 4 "[ + . * * . - 2 . 3]"
1 29 LEU 0.030 0.015 6 0 "[ . 1 . 2 . 3]"
1 30 GLU 0.013 0.008 26 0 "[ . 1 . 2 . 3]"
1 31 ASP 0.667 0.101 5 0 "[ . 1 . 2 . 3]"
1 32 TYR 0.015 0.009 7 0 "[ . 1 . 2 . 3]"
1 33 ILE 0.005 0.005 29 0 "[ . 1 . 2 . 3]"
1 34 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 35 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 38 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 39 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 40 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
2 2 SER 33.446 1.169 14 30 [*************+*************-**]
2 3 LEU 0.062 0.027 9 0 "[ . 1 . 2 . 3]"
2 4 THR 12.804 0.675 15 4 "[ . 1 + 2 * * -3]"
2 5 TYR 68.190 1.169 14 30 [*************+****************]
2 6 GLU 1.761 0.352 10 0 "[ . 1 . 2 . 3]"
2 7 GLU 1.171 0.082 10 0 "[ . 1 . 2 . 3]"
2 8 VAL 10.205 0.675 15 4 "[ . 1 + 2 * * -3]"
2 9 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
2 10 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
2 11 GLU 0.046 0.046 22 0 "[ . 1 . 2 . 3]"
2 12 LEU 2.087 0.414 1 0 "[ . 1 . 2 . 3]"
2 13 VAL 0.019 0.016 7 0 "[ . 1 . 2 . 3]"
2 14 LYS 0.046 0.046 22 0 "[ . 1 . 2 . 3]"
2 15 HIS 2.431 0.414 1 0 "[ . 1 . 2 . 3]"
2 16 LYS 0.325 0.081 21 0 "[ . 1 . 2 . 3]"
2 17 GLU 0.019 0.016 7 0 "[ . 1 . 2 . 3]"
2 18 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
2 19 LEU 0.020 0.016 4 0 "[ . 1 . 2 . 3]"
2 20 ARG 0.707 0.070 25 0 "[ . 1 . 2 . 3]"
2 21 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
2 22 LYS 0.179 0.072 12 0 "[ . 1 . 2 . 3]"
2 23 ASP 0.607 0.070 25 0 "[ . 1 . 2 . 3]"
2 24 THR 4.856 0.549 3 4 "[ + . * * . - 2 . 3]"
2 25 HIS 1.465 0.087 27 0 "[ . 1 . 2 . 3]"
2 26 ILE 0.106 0.047 11 0 "[ . 1 . 2 . 3]"
2 27 ARG 0.011 0.011 26 0 "[ . 1 . 2 . 3]"
2 28 GLU 6.621 0.549 3 4 "[ + . * * . - 2 . 3]"
2 29 LEU 0.031 0.013 6 0 "[ . 1 . 2 . 3]"
2 30 GLU 0.018 0.011 26 0 "[ . 1 . 2 . 3]"
2 31 ASP 0.671 0.101 5 0 "[ . 1 . 2 . 3]"
2 32 TYR 0.018 0.010 7 0 "[ . 1 . 2 . 3]"
2 33 ILE 0.006 0.006 29 0 "[ . 1 . 2 . 3]"
2 34 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
2 35 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
2 38 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
2 39 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
2 40 VAL 0.000 0.000 . 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 2 SER H 1 3 LEU H 4.000 . 5.000 2.290 2.137 2.605 . 0 0 "[ . 1 . 2 . 3]" 1
2 1 2 SER HA 1 2 SER HB2 3.000 . 5.000 3.000 2.795 3.034 . 0 0 "[ . 1 . 2 . 3]" 1
3 1 2 SER HA 1 2 SER HB3 3.000 . 5.000 2.596 2.437 2.907 . 0 0 "[ . 1 . 2 . 3]" 1
4 1 2 SER HA 1 3 LEU H 3.000 . 3.750 3.404 3.006 3.532 . 0 0 "[ . 1 . 2 . 3]" 1
5 1 2 SER HA 1 4 THR H 3.000 . 5.000 3.808 3.232 4.236 . 0 0 "[ . 1 . 2 . 3]" 1
6 1 2 SER HA 1 5 TYR H 4.000 . 5.500 6.607 6.574 6.648 1.148 25 30 [*************-**********+*****] 1
7 1 2 SER QB 1 3 LEU H 3.000 . 4.750 3.155 2.736 3.753 . 0 0 "[ . 1 . 2 . 3]" 1
8 1 2 SER QB 1 4 THR H 3.000 . 5.000 4.332 4.131 4.622 . 0 0 "[ . 1 . 2 . 3]" 1
9 1 3 LEU H 1 3 LEU HA 3.000 . 3.750 2.880 2.824 2.942 . 0 0 "[ . 1 . 2 . 3]" 1
10 1 3 LEU H 1 4 THR H 3.000 . 5.000 3.609 2.901 3.931 . 0 0 "[ . 1 . 2 . 3]" 1
11 1 3 LEU HA 1 3 LEU HG 4.000 . 5.000 3.584 3.190 3.667 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 3 LEU HA 1 4 THR H 2.000 . 5.000 2.466 2.313 2.774 . 0 0 "[ . 1 . 2 . 3]" 1
13 1 3 LEU HA 1 4 THR MG 3.000 . 5.000 4.454 3.931 5.021 0.021 4 0 "[ . 1 . 2 . 3]" 1
14 1 3 LEU HA 1 7 GLU H 3.000 . 6.000 4.738 4.433 5.789 . 0 0 "[ . 1 . 2 . 3]" 1
15 1 3 LEU QB 1 4 THR H 3.000 . 5.000 3.900 3.815 4.001 . 0 0 "[ . 1 . 2 . 3]" 1
16 1 3 LEU QD 1 4 THR H 2.000 . 4.800 4.429 4.121 4.569 . 0 0 "[ . 1 . 2 . 3]" 1
17 1 4 THR H 1 4 THR MG 2.000 . 5.000 3.331 2.843 3.910 . 0 0 "[ . 1 . 2 . 3]" 1
18 1 4 THR H 1 7 GLU H 3.000 . 5.000 2.997 2.618 3.718 . 0 0 "[ . 1 . 2 . 3]" 1
19 1 4 THR H 2 2 SER HA 3.000 . 5.000 3.722 3.176 4.258 . 0 0 "[ . 1 . 2 . 3]" 1
20 1 4 THR H 2 2 SER QB 3.000 . 5.000 3.993 3.743 4.195 . 0 0 "[ . 1 . 2 . 3]" 1
21 1 4 THR HA 1 6 GLU H 3.000 . 5.000 4.837 4.462 5.337 0.337 14 0 "[ . 1 . 2 . 3]" 1
22 1 4 THR HA 1 7 GLU H 4.000 . 5.000 4.526 4.366 5.082 0.082 14 0 "[ . 1 . 2 . 3]" 1
23 1 4 THR HA 2 5 TYR QE 4.000 . 7.000 3.925 2.914 4.699 . 0 0 "[ . 1 . 2 . 3]" 1
24 1 4 THR HB 1 5 TYR H 3.000 . 5.000 1.749 1.662 1.838 0.128 2 0 "[ . 1 . 2 . 3]" 1
25 1 4 THR HB 1 6 GLU H 4.000 2.790 6.000 3.635 3.156 4.012 . 0 0 "[ . 1 . 2 . 3]" 1
26 1 4 THR HB 1 7 GLU H 3.000 . 5.000 4.742 4.204 5.064 0.064 6 0 "[ . 1 . 2 . 3]" 1
27 1 4 THR HB 1 7 GLU QB 4.000 . 6.000 5.141 4.769 5.546 . 0 0 "[ . 1 . 2 . 3]" 1
28 1 4 THR HB 1 8 VAL MG1 4.000 . 6.500 5.760 5.255 6.494 . 0 0 "[ . 1 . 2 . 3]" 1
29 1 4 THR HB 2 5 TYR QE 4.000 . 7.000 4.994 3.528 5.889 . 0 0 "[ . 1 . 2 . 3]" 1
30 1 4 THR MG 1 5 TYR H 3.000 . 5.000 3.260 2.467 3.552 . 0 0 "[ . 1 . 2 . 3]" 1
31 1 4 THR MG 1 5 TYR QD 4.000 . 8.000 5.147 4.386 5.852 . 0 0 "[ . 1 . 2 . 3]" 1
32 1 4 THR MG 1 5 TYR QE 4.000 . 8.000 4.687 2.825 5.773 . 0 0 "[ . 1 . 2 . 3]" 1
33 1 4 THR MG 1 6 GLU H 3.000 . 5.500 4.782 4.403 5.043 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 4 THR MG 1 7 GLU H 3.000 . 5.500 5.210 4.612 5.394 . 0 0 "[ . 1 . 2 . 3]" 1
35 1 4 THR MG 1 7 GLU QB 3.000 . 7.000 4.717 4.112 5.080 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 5 TYR H 1 5 TYR QB 3.000 . 5.000 2.216 2.065 2.317 . 0 0 "[ . 1 . 2 . 3]" 1
37 1 5 TYR H 1 5 TYR QD 3.000 . 5.500 4.103 3.639 4.228 . 0 0 "[ . 1 . 2 . 3]" 1
38 1 5 TYR H 1 6 GLU H 2.000 . 5.000 3.051 2.412 3.237 . 0 0 "[ . 1 . 2 . 3]" 1
39 1 5 TYR H 1 7 GLU H 4.000 . 5.000 4.194 3.729 4.294 . 0 0 "[ . 1 . 2 . 3]" 1
40 1 5 TYR H 2 2 SER HA 4.000 . 5.500 6.615 6.592 6.669 1.169 14 30 [*************+*************-**] 1
41 1 5 TYR H 2 5 TYR QE 3.000 . 5.500 3.894 2.537 4.886 . 0 0 "[ . 1 . 2 . 3]" 1
42 1 5 TYR HA 1 5 TYR QD 4.000 . 6.500 2.311 1.837 3.147 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 5 TYR HA 1 5 TYR QE 4.000 . 6.500 4.456 4.203 5.094 . 0 0 "[ . 1 . 2 . 3]" 1
44 1 5 TYR HA 1 6 GLU H 2.000 . 5.000 3.578 3.501 3.632 . 0 0 "[ . 1 . 2 . 3]" 1
45 1 5 TYR HA 1 8 VAL H 3.000 . 5.000 3.548 3.138 3.835 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 5 TYR HA 1 8 VAL HA 3.000 . 6.000 5.677 5.159 6.001 0.001 25 0 "[ . 1 . 2 . 3]" 1
47 1 5 TYR HA 1 8 VAL MG1 3.000 . 6.000 2.329 1.918 2.980 . 0 0 "[ . 1 . 2 . 3]" 1
48 1 5 TYR HA 1 8 VAL QG 3.000 . 6.150 2.322 1.916 2.947 . 0 0 "[ . 1 . 2 . 3]" 1
49 1 5 TYR HA 1 8 VAL MG2 3.000 . 6.000 4.762 4.197 5.111 . 0 0 "[ . 1 . 2 . 3]" 1
50 1 5 TYR HA 1 9 LEU QD 3.000 . 7.000 4.636 3.600 5.543 . 0 0 "[ . 1 . 2 . 3]" 1
51 1 5 TYR QB 1 5 TYR QE 4.000 . 5.500 3.955 3.932 3.988 . 0 0 "[ . 1 . 2 . 3]" 1
52 1 5 TYR QB 1 6 GLU H 2.000 . 5.000 2.606 2.090 3.243 . 0 0 "[ . 1 . 2 . 3]" 1
53 1 5 TYR QB 1 7 GLU H 4.000 . 5.500 4.536 4.345 4.715 . 0 0 "[ . 1 . 2 . 3]" 1
54 1 5 TYR QB 1 8 VAL MG2 4.000 . 6.000 6.092 5.480 6.503 0.503 25 1 "[ . 1 . 2 + 3]" 1
55 1 5 TYR QB 1 9 LEU MD1 3.000 . 8.000 4.191 3.476 5.270 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 5 TYR QB 1 9 LEU MD2 3.000 . 7.000 5.998 5.258 6.586 . 0 0 "[ . 1 . 2 . 3]" 1
57 1 5 TYR QD 1 6 GLU H 4.000 . 5.500 3.932 2.639 4.479 . 0 0 "[ . 1 . 2 . 3]" 1
58 1 5 TYR QD 1 6 GLU QG 3.000 . 8.000 4.219 3.226 5.597 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 5 TYR QD 1 7 GLU H 4.000 . 7.000 5.336 4.801 5.590 . 0 0 "[ . 1 . 2 . 3]" 1
60 1 5 TYR QD 1 8 VAL H 4.000 . 7.500 5.005 3.972 5.581 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 5 TYR QD 1 8 VAL HB 3.000 . 7.000 4.982 3.691 5.996 . 0 0 "[ . 1 . 2 . 3]" 1
62 1 5 TYR QD 1 8 VAL MG2 4.000 . 5.500 4.816 4.179 5.670 0.170 25 0 "[ . 1 . 2 . 3]" 1
63 1 5 TYR QD 1 9 LEU H 3.000 . 6.500 4.684 3.990 5.266 . 0 0 "[ . 1 . 2 . 3]" 1
64 1 5 TYR QD 1 9 LEU MD1 3.000 . 6.000 3.268 2.466 4.517 . 0 0 "[ . 1 . 2 . 3]" 1
65 1 5 TYR QD 1 9 LEU HG 3.000 . 6.500 4.014 2.867 4.984 . 0 0 "[ . 1 . 2 . 3]" 1
66 1 5 TYR QD 2 4 THR MG 4.000 . 8.000 5.363 4.515 5.962 . 0 0 "[ . 1 . 2 . 3]" 1
67 1 5 TYR QD 2 8 VAL HA 3.000 . 8.000 6.589 6.046 7.705 . 0 0 "[ . 1 . 2 . 3]" 1
68 1 5 TYR QD 2 8 VAL MG2 4.000 . 6.500 4.311 3.706 4.967 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 5 TYR HD1 1 8 VAL QG 3.000 . 9.150 2.668 1.945 3.395 . 0 0 "[ . 1 . 2 . 3]" 1
70 1 5 TYR QE 1 6 GLU H 4.000 . 6.500 5.803 4.697 6.494 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 5 TYR QE 1 6 GLU QG 3.000 . 8.000 5.276 3.412 6.468 . 0 0 "[ . 1 . 2 . 3]" 1
72 1 5 TYR QE 1 9 LEU H 3.000 . 7.000 5.338 4.805 5.932 . 0 0 "[ . 1 . 2 . 3]" 1
73 1 5 TYR QE 1 9 LEU MD1 3.000 . 5.500 2.913 2.055 4.123 . 0 0 "[ . 1 . 2 . 3]" 1
74 1 5 TYR QE 1 9 LEU HG 3.000 . 6.500 3.493 2.724 4.561 . 0 0 "[ . 1 . 2 . 3]" 1
75 1 5 TYR QE 2 4 THR HA 4.000 . 7.000 4.288 3.244 5.187 . 0 0 "[ . 1 . 2 . 3]" 1
76 1 5 TYR QE 2 4 THR HB 4.000 . 7.000 5.394 3.371 6.348 . 0 0 "[ . 1 . 2 . 3]" 1
77 1 5 TYR QE 2 4 THR MG 4.000 . 8.000 5.133 3.431 6.142 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 5 TYR QE 2 5 TYR H 3.000 . 5.500 4.303 2.718 5.318 . 0 0 "[ . 1 . 2 . 3]" 1
79 1 5 TYR QE 2 8 VAL H 4.000 . 7.000 4.260 3.741 5.657 . 0 0 "[ . 1 . 2 . 3]" 1
80 1 5 TYR QE 2 8 VAL HB 3.000 . 7.000 2.926 2.265 4.085 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 5 TYR QE 2 8 VAL MG1 4.000 . 5.500 2.461 1.843 3.804 . 0 0 "[ . 1 . 2 . 3]" 1
82 1 5 TYR QE 2 8 VAL MG2 4.000 . 6.500 3.514 2.427 4.410 . 0 0 "[ . 1 . 2 . 3]" 1
83 1 6 GLU H 1 6 GLU HA 3.000 . 5.000 2.818 2.654 2.865 . 0 0 "[ . 1 . 2 . 3]" 1
84 1 6 GLU H 1 6 GLU HG2 4.000 . 6.000 4.158 3.480 4.578 . 0 0 "[ . 1 . 2 . 3]" 1
85 1 6 GLU H 1 6 GLU HG3 4.000 . 6.000 3.472 2.202 4.274 . 0 0 "[ . 1 . 2 . 3]" 1
86 1 6 GLU H 1 7 GLU H 3.000 . 5.000 2.659 2.505 3.079 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 6 GLU H 1 7 GLU HA 3.000 . 5.500 5.219 5.078 5.585 0.085 14 0 "[ . 1 . 2 . 3]" 1
88 1 6 GLU H 1 8 VAL H 3.000 . 5.000 4.481 4.182 4.733 . 0 0 "[ . 1 . 2 . 3]" 1
89 1 6 GLU H 1 9 LEU QD 2.000 . 6.800 4.408 3.849 5.579 . 0 0 "[ . 1 . 2 . 3]" 1
90 1 6 GLU HA 1 7 GLU H 2.000 . 5.000 3.436 3.358 3.526 . 0 0 "[ . 1 . 2 . 3]" 1
91 1 6 GLU HA 1 8 VAL H 3.000 . 5.000 4.599 3.904 4.975 . 0 0 "[ . 1 . 2 . 3]" 1
92 1 7 GLU H 1 7 GLU QB 3.000 . 5.000 2.236 2.158 2.381 . 0 0 "[ . 1 . 2 . 3]" 1
93 1 7 GLU H 1 8 VAL H 3.000 . 5.000 2.468 2.163 2.664 . 0 0 "[ . 1 . 2 . 3]" 1
94 1 7 GLU H 1 9 LEU H 3.000 . 5.000 3.830 3.705 4.256 . 0 0 "[ . 1 . 2 . 3]" 1
95 1 7 GLU QB 1 8 VAL H 3.000 . 5.000 2.569 2.299 3.086 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 8 VAL H 1 8 VAL HA 3.000 . 5.000 2.829 2.675 2.919 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 8 VAL H 1 8 VAL MG1 3.500 . 5.875 2.258 2.043 2.713 . 0 0 "[ . 1 . 2 . 3]" 1
98 1 8 VAL H 1 8 VAL MG2 3.500 . 5.875 3.749 3.650 3.841 . 0 0 "[ . 1 . 2 . 3]" 1
99 1 8 VAL H 1 9 LEU H 3.000 . 5.000 2.601 2.220 3.258 . 0 0 "[ . 1 . 2 . 3]" 1
100 1 8 VAL H 1 10 GLN H 4.000 . 5.000 4.583 4.194 4.880 . 0 0 "[ . 1 . 2 . 3]" 1
101 1 8 VAL H 2 5 TYR QE 4.000 . 7.000 4.164 3.626 5.336 . 0 0 "[ . 1 . 2 . 3]" 1
102 1 8 VAL HA 1 10 GLN H 4.000 . 5.000 4.599 4.239 4.879 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 8 VAL HA 2 5 TYR HA 3.000 . 6.000 5.692 5.171 6.022 0.022 29 0 "[ . 1 . 2 . 3]" 1
104 1 8 VAL HA 2 5 TYR QD 3.000 . 8.000 6.803 6.237 7.806 . 0 0 "[ . 1 . 2 . 3]" 1
105 1 8 VAL HA 2 12 LEU MD1 4.000 . 8.000 5.444 4.658 6.311 . 0 0 "[ . 1 . 2 . 3]" 1
106 1 8 VAL HA 2 12 LEU MD2 4.000 . 8.000 4.028 3.377 5.364 . 0 0 "[ . 1 . 2 . 3]" 1
107 1 8 VAL HB 2 5 TYR QE 3.000 . 7.000 3.082 2.327 4.146 . 0 0 "[ . 1 . 2 . 3]" 1
108 1 8 VAL MG1 2 4 THR HB 4.000 . 6.500 6.822 6.342 7.175 0.675 15 4 "[ . 1 + 2 * * -3]" 1
109 1 8 VAL MG1 2 5 TYR QD 4.000 . 6.500 2.801 2.176 4.363 . 0 0 "[ . 1 . 2 . 3]" 1
110 1 8 VAL MG1 2 5 TYR QE 4.000 . 6.500 2.567 1.997 3.883 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 8 VAL MG2 1 10 GLN H 4.000 . 6.000 5.402 5.206 5.718 . 0 0 "[ . 1 . 2 . 3]" 1
112 1 8 VAL MG2 2 5 TYR QE 4.000 . 5.500 3.804 2.805 4.788 . 0 0 "[ . 1 . 2 . 3]" 1
113 1 9 LEU H 1 10 GLN H 2.000 . 5.000 2.922 2.722 3.016 . 0 0 "[ . 1 . 2 . 3]" 1
114 1 9 LEU HA 1 10 GLN H 4.000 . 5.000 3.586 3.538 3.613 . 0 0 "[ . 1 . 2 . 3]" 1
115 1 10 GLN H 1 10 GLN QB 2.000 . 5.000 2.242 2.078 2.531 . 0 0 "[ . 1 . 2 . 3]" 1
116 1 10 GLN H 1 10 GLN QG 3.500 . 5.375 2.680 2.181 3.210 . 0 0 "[ . 1 . 2 . 3]" 1
117 1 10 GLN H 1 12 LEU H 3.000 . 5.000 4.388 3.989 4.827 . 0 0 "[ . 1 . 2 . 3]" 1
118 1 10 GLN H 2 12 LEU MD2 4.000 . 7.500 6.391 5.870 6.979 . 0 0 "[ . 1 . 2 . 3]" 1
119 1 10 GLN HA 1 12 LEU H 3.000 . 5.000 4.246 3.829 4.857 . 0 0 "[ . 1 . 2 . 3]" 1
120 1 10 GLN HA 1 13 VAL HB 4.000 . 5.000 4.042 3.119 4.636 . 0 0 "[ . 1 . 2 . 3]" 1
121 1 11 GLU HA 1 11 GLU HG2 3.000 . 5.000 2.461 2.109 2.861 . 0 0 "[ . 1 . 2 . 3]" 1
122 1 11 GLU HA 1 14 LYS HB2 4.000 . 5.000 2.993 2.413 3.800 . 0 0 "[ . 1 . 2 . 3]" 1
123 1 11 GLU HA 1 14 LYS HD2 4.000 . 5.000 4.041 2.844 4.978 . 0 0 "[ . 1 . 2 . 3]" 1
124 1 11 GLU HA 1 14 LYS QD 2.000 . 5.000 3.309 2.502 3.885 . 0 0 "[ . 1 . 2 . 3]" 1
125 1 11 GLU HA 1 14 LYS HD3 4.000 . 5.000 3.643 2.563 4.815 . 0 0 "[ . 1 . 2 . 3]" 1
126 1 11 GLU HA 1 14 LYS QE 4.000 . 6.000 5.311 4.441 5.957 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 11 GLU HA 1 14 LYS QG 4.000 . 5.000 4.348 2.902 5.046 0.046 22 0 "[ . 1 . 2 . 3]" 1
128 1 12 LEU H 1 12 LEU MD1 4.000 . 6.000 4.291 4.117 4.367 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 12 LEU H 1 12 LEU MD2 4.000 . 6.000 3.433 2.598 3.913 . 0 0 "[ . 1 . 2 . 3]" 1
130 1 12 LEU HA 1 13 VAL H 2.000 . 5.000 3.577 3.547 3.644 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 12 LEU HA 1 15 HIS H 3.000 . 5.000 3.697 3.361 4.012 . 0 0 "[ . 1 . 2 . 3]" 1
132 1 12 LEU HA 1 15 HIS HB2 3.000 . 5.000 3.064 2.709 3.425 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 12 LEU HA 1 15 HIS HB3 3.000 . 5.000 4.683 4.292 5.039 0.039 18 0 "[ . 1 . 2 . 3]" 1
134 1 12 LEU HA 1 15 HIS HD2 3.000 . 5.000 4.251 2.369 5.017 0.017 18 0 "[ . 1 . 2 . 3]" 1
135 1 12 LEU HA 1 16 LYS H 4.000 . 6.000 4.332 3.767 4.737 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 12 LEU QD 2 15 HIS HD1 3.000 . 7.000 3.377 2.120 4.949 . 0 0 "[ . 1 . 2 . 3]" 1
137 1 12 LEU MD1 1 16 LYS QE 4.000 . 7.000 3.223 2.134 3.755 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 12 LEU MD1 2 8 VAL HA 4.000 . 8.000 5.877 5.177 6.832 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 12 LEU MD1 2 15 HIS HD2 4.000 . 6.000 4.423 2.675 5.890 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 12 LEU MD2 1 15 HIS H 3.000 . 6.000 4.937 4.483 5.386 . 0 0 "[ . 1 . 2 . 3]" 1
141 1 12 LEU MD2 1 15 HIS HB3 4.000 . 5.000 4.710 3.751 5.415 0.415 1 0 "[ . 1 . 2 . 3]" 1
142 1 12 LEU MD2 1 16 LYS H 4.000 . 6.000 4.938 3.939 5.475 . 0 0 "[ . 1 . 2 . 3]" 1
143 1 12 LEU MD2 1 16 LYS QE 4.000 . 7.000 5.309 4.382 5.819 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 12 LEU MD2 2 8 VAL HA 4.000 . 8.000 4.367 3.647 5.777 . 0 0 "[ . 1 . 2 . 3]" 1
145 1 12 LEU MD2 2 10 GLN H 4.000 . 7.500 6.690 6.188 7.260 . 0 0 "[ . 1 . 2 . 3]" 1
146 1 12 LEU MD2 2 15 HIS HB2 4.000 . 5.000 3.844 3.097 4.544 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 12 LEU MD2 2 15 HIS HD2 4.000 . 5.000 3.610 1.912 4.684 . 0 0 "[ . 1 . 2 . 3]" 1
148 1 12 LEU HG 1 16 LYS QE 4.000 . 7.000 5.588 4.352 6.399 . 0 0 "[ . 1 . 2 . 3]" 1
149 1 13 VAL HA 1 14 LYS H 3.000 . 5.000 3.519 3.344 3.618 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 13 VAL HA 1 16 LYS H 4.000 . 5.500 3.615 3.183 4.161 . 0 0 "[ . 1 . 2 . 3]" 1
151 1 13 VAL HA 1 16 LYS QB 4.000 . 5.000 2.704 1.931 3.877 . 0 0 "[ . 1 . 2 . 3]" 1
152 1 13 VAL HA 1 16 LYS HD2 4.000 . 5.000 4.199 3.322 4.862 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 13 VAL HA 1 16 LYS HD3 4.000 . 5.000 2.882 2.302 3.654 . 0 0 "[ . 1 . 2 . 3]" 1
154 1 13 VAL HA 1 16 LYS QG 4.000 2.790 6.000 4.102 3.119 4.915 . 0 0 "[ . 1 . 2 . 3]" 1
155 1 13 VAL HA 1 17 GLU HB2 4.000 . 7.000 5.228 4.314 6.892 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 13 VAL HA 1 17 GLU HB3 3.000 2.790 6.000 5.418 4.623 6.016 0.016 7 0 "[ . 1 . 2 . 3]" 1
157 1 13 VAL HB 1 14 LYS H 3.000 . 5.000 3.941 3.506 4.244 . 0 0 "[ . 1 . 2 . 3]" 1
158 1 13 VAL QG 1 15 HIS HA 4.000 . 7.000 5.924 5.690 6.239 . 0 0 "[ . 1 . 2 . 3]" 1
159 1 13 VAL QG 1 15 HIS HB3 4.000 . 8.000 6.545 6.228 6.910 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 13 VAL MG1 1 14 LYS H 3.500 . 5.375 2.154 1.801 2.741 . 0 0 "[ . 1 . 2 . 3]" 1
161 1 13 VAL MG2 1 14 LYS H 3.500 . 5.375 3.732 3.031 4.292 . 0 0 "[ . 1 . 2 . 3]" 1
162 1 14 LYS H 1 14 LYS QB 3.000 . 4.750 2.219 2.040 2.425 . 0 0 "[ . 1 . 2 . 3]" 1
163 1 14 LYS H 1 14 LYS QD 4.000 . 6.000 4.151 3.614 4.457 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 14 LYS H 1 15 HIS H 2.000 . 5.000 2.752 2.326 3.072 . 0 0 "[ . 1 . 2 . 3]" 1
165 1 14 LYS HE2 1 18 LEU MD2 3.000 . 7.000 5.118 3.961 6.887 . 0 0 "[ . 1 . 2 . 3]" 1
166 1 14 LYS HE3 1 18 LEU MD1 3.000 . 7.000 4.087 3.153 4.921 . 0 0 "[ . 1 . 2 . 3]" 1
167 1 14 LYS HE3 1 18 LEU MD2 3.000 . 7.000 5.287 4.360 6.608 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 14 LYS QG 1 18 LEU MD1 4.000 . 7.000 2.903 1.971 4.615 . 0 0 "[ . 1 . 2 . 3]" 1
169 1 14 LYS QG 1 18 LEU MD2 4.000 . 7.000 4.613 3.592 6.391 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 15 HIS HA 1 15 HIS HB2 3.000 . 5.000 3.009 2.992 3.037 . 0 0 "[ . 1 . 2 . 3]" 1
171 1 15 HIS HA 1 15 HIS HB3 3.000 . 5.000 2.588 2.488 2.653 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 15 HIS HA 1 15 HIS HD2 4.000 . 5.000 3.375 2.662 4.569 . 0 0 "[ . 1 . 2 . 3]" 1
173 1 15 HIS HA 1 19 LEU H 4.000 . 5.000 4.306 3.926 5.009 0.009 4 0 "[ . 1 . 2 . 3]" 1
174 1 15 HIS HA 2 13 VAL QG 4.000 . 7.000 5.923 5.690 6.240 . 0 0 "[ . 1 . 2 . 3]" 1
175 1 15 HIS HB2 1 15 HIS HD2 4.000 . 5.000 3.143 2.685 3.606 . 0 0 "[ . 1 . 2 . 3]" 1
176 1 15 HIS HB2 1 19 LEU QD 3.000 . 7.000 4.843 3.894 5.556 . 0 0 "[ . 1 . 2 . 3]" 1
177 1 15 HIS HB2 2 12 LEU MD2 4.000 . 5.000 4.003 3.340 4.735 . 0 0 "[ . 1 . 2 . 3]" 1
178 1 15 HIS HB3 1 15 HIS HD2 4.000 . 5.000 3.878 3.574 3.978 . 0 0 "[ . 1 . 2 . 3]" 1
179 1 15 HIS HB3 1 19 LEU QD 3.000 . 7.000 3.608 2.826 4.266 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 15 HIS HD1 2 12 LEU QD 3.000 . 7.000 3.604 2.420 5.077 . 0 0 "[ . 1 . 2 . 3]" 1
181 1 15 HIS HD2 1 16 LYS H 4.000 . 5.000 4.923 4.696 5.085 0.085 21 0 "[ . 1 . 2 . 3]" 1
182 1 15 HIS HD2 2 12 LEU MD1 4.000 . 6.000 4.288 2.546 5.764 . 0 0 "[ . 1 . 2 . 3]" 1
183 1 15 HIS HD2 2 12 LEU MD2 4.000 . 5.000 3.714 2.045 4.798 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 16 LYS H 1 16 LYS HA 3.000 . 5.000 2.795 2.673 2.874 . 0 0 "[ . 1 . 2 . 3]" 1
185 1 16 LYS H 1 17 GLU H 2.000 . 5.000 2.806 2.470 3.175 . 0 0 "[ . 1 . 2 . 3]" 1
186 1 16 LYS HA 1 19 LEU QB 2.000 . 5.000 2.904 2.255 3.571 . 0 0 "[ . 1 . 2 . 3]" 1
187 1 17 GLU H 1 19 LEU H 4.000 . 5.000 4.183 4.016 4.363 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 17 GLU HA 1 20 ARG QB 2.000 . 5.000 2.484 2.111 3.307 . 0 0 "[ . 1 . 2 . 3]" 1
189 1 18 LEU HA 1 18 LEU MD1 3.500 . 5.000 3.799 3.713 3.873 . 0 0 "[ . 1 . 2 . 3]" 1
190 1 18 LEU HA 1 18 LEU MD2 3.500 . 5.000 2.276 2.070 2.637 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 18 LEU HA 1 20 ARG H 3.000 . 5.000 4.257 4.084 4.447 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 18 LEU HA 1 21 ARG QB 2.000 . 5.000 3.240 2.897 3.518 . 0 0 "[ . 1 . 2 . 3]" 1
193 1 18 LEU HA 1 21 ARG QG 4.000 2.790 7.000 5.157 3.881 5.610 . 0 0 "[ . 1 . 2 . 3]" 1
194 1 19 LEU H 1 19 LEU HA 3.000 . 5.000 2.844 2.805 2.900 . 0 0 "[ . 1 . 2 . 3]" 1
195 1 19 LEU H 1 20 ARG H 3.000 . 5.000 2.531 2.281 2.660 . 0 0 "[ . 1 . 2 . 3]" 1
196 1 19 LEU H 1 21 ARG H 3.000 . 5.000 4.596 4.336 4.779 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 19 LEU HA 1 19 LEU MD1 4.000 . 5.000 3.730 3.617 3.888 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 19 LEU HA 1 19 LEU MD2 4.000 . 5.000 2.575 2.280 2.777 . 0 0 "[ . 1 . 2 . 3]" 1
199 1 19 LEU HA 1 20 ARG H 4.000 . 5.000 3.513 3.451 3.534 . 0 0 "[ . 1 . 2 . 3]" 1
200 1 19 LEU HA 1 22 LYS H 3.000 . 5.000 3.695 3.498 3.920 . 0 0 "[ . 1 . 2 . 3]" 1
201 1 19 LEU HA 1 22 LYS QB 2.000 . 5.000 2.635 2.277 2.981 . 0 0 "[ . 1 . 2 . 3]" 1
202 1 19 LEU MD1 2 22 LYS QE 3.000 . 6.500 4.705 3.788 5.598 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 19 LEU MD2 2 22 LYS QE 3.000 . 6.500 2.972 2.147 3.894 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 20 ARG H 1 21 ARG H 4.000 . 5.000 2.870 2.603 2.965 . 0 0 "[ . 1 . 2 . 3]" 1
205 1 20 ARG H 1 22 LYS H 3.000 . 5.000 4.058 3.888 4.238 . 0 0 "[ . 1 . 2 . 3]" 1
206 1 20 ARG HA 1 20 ARG HB2 3.000 . 5.000 2.935 2.607 3.029 . 0 0 "[ . 1 . 2 . 3]" 1
207 1 20 ARG HA 1 20 ARG HB3 3.000 . 5.000 2.681 2.388 3.000 . 0 0 "[ . 1 . 2 . 3]" 1
208 1 20 ARG HA 1 20 ARG HD2 3.500 . 5.000 4.197 1.911 4.835 . 0 0 "[ . 1 . 2 . 3]" 1
209 1 20 ARG HA 1 20 ARG HD3 3.500 . 5.000 3.998 1.947 4.693 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 20 ARG HA 1 23 ASP HB2 2.000 . 5.000 3.417 2.843 4.526 . 0 0 "[ . 1 . 2 . 3]" 1
211 1 20 ARG HA 1 23 ASP HB3 2.000 . 5.000 4.761 3.996 5.071 0.071 25 0 "[ . 1 . 2 . 3]" 1
212 1 20 ARG HA 1 24 THR HB 2.500 . 6.000 5.906 5.358 6.027 0.027 4 0 "[ . 1 . 2 . 3]" 1
213 1 20 ARG HA 1 24 THR MG 3.000 . 7.000 6.397 6.009 6.699 . 0 0 "[ . 1 . 2 . 3]" 1
214 1 21 ARG H 1 22 LYS H 4.000 . 5.000 2.875 2.708 3.033 . 0 0 "[ . 1 . 2 . 3]" 1
215 1 21 ARG HA 1 21 ARG HB2 3.000 . 5.000 2.663 2.257 2.994 . 0 0 "[ . 1 . 2 . 3]" 1
216 1 21 ARG HA 1 21 ARG HB3 3.000 . 5.000 2.935 2.615 3.025 . 0 0 "[ . 1 . 2 . 3]" 1
217 1 21 ARG HA 1 21 ARG QD 4.000 . 5.000 3.914 2.901 4.140 . 0 0 "[ . 1 . 2 . 3]" 1
218 1 21 ARG HA 1 21 ARG QG 3.000 . 5.000 2.336 2.008 3.218 . 0 0 "[ . 1 . 2 . 3]" 1
219 1 21 ARG HA 1 24 THR HA 4.000 . 5.500 5.009 4.736 5.267 . 0 0 "[ . 1 . 2 . 3]" 1
220 1 21 ARG HA 1 24 THR HB 2.000 . 5.000 2.301 2.061 2.635 . 0 0 "[ . 1 . 2 . 3]" 1
221 1 21 ARG QB 1 21 ARG QD 3.000 . 5.000 2.098 2.004 2.301 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 21 ARG QB 1 24 THR HB 4.000 . 5.000 4.296 3.967 4.550 . 0 0 "[ . 1 . 2 . 3]" 1
223 1 21 ARG HB2 1 24 THR HB 4.000 . 6.000 4.839 4.134 5.562 . 0 0 "[ . 1 . 2 . 3]" 1
224 1 21 ARG HB3 1 24 THR HB 3.000 . 6.000 4.869 4.501 5.333 . 0 0 "[ . 1 . 2 . 3]" 1
225 1 21 ARG HG3 1 24 THR HB 4.000 . 5.000 3.940 3.057 4.777 . 0 0 "[ . 1 . 2 . 3]" 1
226 1 22 LYS H 1 22 LYS HA 3.000 . 5.000 2.746 2.700 2.812 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 22 LYS H 1 25 HIS H 4.000 . 5.000 4.778 4.626 5.075 0.075 12 0 "[ . 1 . 2 . 3]" 1
228 1 22 LYS HA 1 25 HIS QB 3.000 2.790 5.000 3.132 2.806 3.495 . 0 0 "[ . 1 . 2 . 3]" 1
229 1 22 LYS HA 1 26 ILE H 4.000 . 5.000 4.460 4.159 4.774 . 0 0 "[ . 1 . 2 . 3]" 1
230 1 22 LYS QE 2 19 LEU MD1 3.000 . 6.500 4.937 4.001 5.860 . 0 0 "[ . 1 . 2 . 3]" 1
231 1 22 LYS QE 2 19 LEU MD2 3.000 . 6.500 3.127 2.431 4.037 . 0 0 "[ . 1 . 2 . 3]" 1
232 1 23 ASP H 1 24 THR H 3.000 . 5.000 2.580 2.258 2.750 . 0 0 "[ . 1 . 2 . 3]" 1
233 1 23 ASP HA 1 23 ASP HB2 3.000 . 5.000 2.929 2.598 3.030 . 0 0 "[ . 1 . 2 . 3]" 1
234 1 23 ASP HA 1 23 ASP HB3 3.000 . 5.000 2.721 2.527 3.011 . 0 0 "[ . 1 . 2 . 3]" 1
235 1 23 ASP HA 1 26 ILE H 3.000 . 5.000 3.612 3.419 3.958 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 23 ASP HA 1 26 ILE HB 3.000 . 5.000 4.910 4.680 5.046 0.046 11 0 "[ . 1 . 2 . 3]" 1
237 1 23 ASP HA 1 26 ILE MD 3.000 . 7.400 2.611 2.279 2.872 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 23 ASP HA 1 26 ILE MG 3.000 . 5.000 3.629 3.333 4.021 . 0 0 "[ . 1 . 2 . 3]" 1
239 1 23 ASP QB 1 24 THR HB 4.000 . 6.000 4.804 4.346 5.035 . 0 0 "[ . 1 . 2 . 3]" 1
240 1 23 ASP HB2 1 24 THR H 2.000 . 5.000 2.957 2.176 3.669 . 0 0 "[ . 1 . 2 . 3]" 1
241 1 23 ASP HB2 1 26 ILE MD 3.000 . 6.000 4.729 4.115 4.993 . 0 0 "[ . 1 . 2 . 3]" 1
242 1 23 ASP HB2 1 26 ILE MG 3.000 . 7.000 6.043 5.583 6.544 . 0 0 "[ . 1 . 2 . 3]" 1
243 1 23 ASP HB3 1 24 THR H 2.000 . 5.000 3.179 2.140 3.992 . 0 0 "[ . 1 . 2 . 3]" 1
244 1 23 ASP HB3 1 26 ILE MD 3.000 . 7.000 4.010 3.478 4.847 . 0 0 "[ . 1 . 2 . 3]" 1
245 1 24 THR H 1 24 THR MG 4.000 . 5.000 3.749 3.609 3.804 . 0 0 "[ . 1 . 2 . 3]" 1
246 1 24 THR H 1 25 HIS H 3.000 . 5.000 2.712 2.238 3.012 . 0 0 "[ . 1 . 2 . 3]" 1
247 1 24 THR HA 1 24 THR HB 3.000 . 5.000 3.022 2.991 3.028 . 0 0 "[ . 1 . 2 . 3]" 1
248 1 24 THR HA 1 28 GLU HB2 3.000 . 7.000 6.422 5.192 6.975 . 0 0 "[ . 1 . 2 . 3]" 1
249 1 24 THR HA 1 28 GLU HB3 4.000 . 6.500 4.956 4.405 5.490 . 0 0 "[ . 1 . 2 . 3]" 1
250 1 24 THR HB 1 27 ARG H 4.000 . 6.000 5.472 5.243 5.847 . 0 0 "[ . 1 . 2 . 3]" 1
251 1 24 THR MG 1 25 HIS HA 4.000 . 5.000 3.730 3.205 4.159 . 0 0 "[ . 1 . 2 . 3]" 1
252 1 24 THR MG 1 28 GLU HG3 4.000 . 5.000 4.829 4.060 5.549 0.549 3 4 "[ + . * * . - 2 . 3]" 1
253 1 25 HIS H 1 26 ILE H 4.000 . 5.000 2.689 2.399 3.211 . 0 0 "[ . 1 . 2 . 3]" 1
254 1 25 HIS HA 1 25 HIS HD2 4.000 . 5.000 4.033 2.652 4.707 . 0 0 "[ . 1 . 2 . 3]" 1
255 1 25 HIS HA 1 28 GLU HA 4.000 . 5.500 5.502 5.187 5.586 0.086 27 0 "[ . 1 . 2 . 3]" 1
256 1 25 HIS HA 1 28 GLU QB 4.000 . 5.000 3.478 2.324 3.912 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 25 HIS HA 1 28 GLU QG 4.000 . 5.000 2.311 1.802 4.159 . 0 0 "[ . 1 . 2 . 3]" 1
258 1 25 HIS HA 1 29 LEU H 4.000 . 5.000 3.859 3.411 4.405 . 0 0 "[ . 1 . 2 . 3]" 1
259 1 25 HIS QB 1 26 ILE H 3.000 . 7.400 2.539 2.311 2.794 . 0 0 "[ . 1 . 2 . 3]" 1
260 1 26 ILE H 1 27 ARG H 3.000 . 5.000 2.566 2.346 2.801 . 0 0 "[ . 1 . 2 . 3]" 1
261 1 26 ILE H 1 28 GLU H 4.000 . 5.000 4.236 4.030 4.401 . 0 0 "[ . 1 . 2 . 3]" 1
262 1 26 ILE H 1 29 LEU H 4.000 . 5.000 4.839 4.677 5.015 0.015 6 0 "[ . 1 . 2 . 3]" 1
263 1 26 ILE HA 1 29 LEU QB 2.000 . 5.000 2.926 2.402 3.332 . 0 0 "[ . 1 . 2 . 3]" 1
264 1 26 ILE HA 1 29 LEU QD 3.000 . 6.150 3.762 3.230 4.219 . 0 0 "[ . 1 . 2 . 3]" 1
265 1 27 ARG H 1 27 ARG QD 2.000 . 6.000 4.368 3.720 4.764 . 0 0 "[ . 1 . 2 . 3]" 1
266 1 27 ARG H 1 27 ARG QG 2.000 . 6.000 3.981 3.823 4.064 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 27 ARG H 1 28 GLU H 3.000 . 5.000 2.468 2.230 2.842 . 0 0 "[ . 1 . 2 . 3]" 1
268 1 27 ARG H 1 29 LEU H 4.000 . 5.000 3.958 3.760 4.414 . 0 0 "[ . 1 . 2 . 3]" 1
269 1 27 ARG H 1 30 GLU H 4.000 . 5.000 4.662 4.451 5.008 0.008 26 0 "[ . 1 . 2 . 3]" 1
270 1 27 ARG HA 1 27 ARG QD 4.000 . 5.000 3.822 3.160 4.140 . 0 0 "[ . 1 . 2 . 3]" 1
271 1 27 ARG HA 1 29 LEU H 3.000 . 5.000 4.585 4.158 4.819 . 0 0 "[ . 1 . 2 . 3]" 1
272 1 27 ARG HA 1 30 GLU H 2.000 . 5.000 3.554 3.350 3.747 . 0 0 "[ . 1 . 2 . 3]" 1
273 1 27 ARG HA 1 30 GLU HB2 4.000 . 5.000 2.543 2.215 3.232 . 0 0 "[ . 1 . 2 . 3]" 1
274 1 27 ARG HA 1 30 GLU QB 2.000 . 5.000 2.513 2.194 3.168 . 0 0 "[ . 1 . 2 . 3]" 1
275 1 27 ARG HA 1 30 GLU HB3 4.000 . 5.000 3.941 3.412 4.648 . 0 0 "[ . 1 . 2 . 3]" 1
276 1 27 ARG HA 1 30 GLU HG2 3.000 . 5.000 3.996 2.751 4.992 . 0 0 "[ . 1 . 2 . 3]" 1
277 1 27 ARG HA 1 30 GLU HG3 3.000 . 5.000 3.378 2.525 3.996 . 0 0 "[ . 1 . 2 . 3]" 1
278 1 27 ARG QB 1 27 ARG HD3 3.000 . 5.000 2.511 1.935 3.329 . 0 0 "[ . 1 . 2 . 3]" 1
279 1 28 GLU H 1 29 LEU H 3.000 . 5.000 2.625 2.519 2.772 . 0 0 "[ . 1 . 2 . 3]" 1
280 1 28 GLU H 1 30 GLU H 3.000 . 5.000 3.839 3.702 4.369 . 0 0 "[ . 1 . 2 . 3]" 1
281 1 28 GLU HA 1 28 GLU HB2 3.000 . 5.000 2.405 2.234 2.558 . 0 0 "[ . 1 . 2 . 3]" 1
282 1 28 GLU HA 1 28 GLU HG2 4.000 . 5.000 4.000 3.243 4.248 . 0 0 "[ . 1 . 2 . 3]" 1
283 1 28 GLU HA 1 31 ASP HA 4.000 . 6.000 5.942 5.482 6.062 0.062 19 0 "[ . 1 . 2 . 3]" 1
284 1 28 GLU HA 1 31 ASP HB2 2.000 . 5.000 3.512 3.033 4.121 . 0 0 "[ . 1 . 2 . 3]" 1
285 1 28 GLU HA 1 31 ASP HB3 2.000 . 5.000 4.669 3.779 5.101 0.101 5 0 "[ . 1 . 2 . 3]" 1
286 1 28 GLU HB2 1 31 ASP H 4.000 . 6.000 5.386 5.136 5.930 . 0 0 "[ . 1 . 2 . 3]" 1
287 1 28 GLU QG 1 29 LEU H 3.000 . 6.000 2.122 1.878 2.892 . 0 0 "[ . 1 . 2 . 3]" 1
288 1 29 LEU H 1 29 LEU HG 3.000 . 5.000 4.182 3.829 4.403 . 0 0 "[ . 1 . 2 . 3]" 1
289 1 29 LEU H 1 30 GLU H 3.000 . 5.000 2.628 2.505 2.738 . 0 0 "[ . 1 . 2 . 3]" 1
290 1 29 LEU HA 1 29 LEU MD1 4.000 . 5.000 3.023 2.734 3.407 . 0 0 "[ . 1 . 2 . 3]" 1
291 1 29 LEU HA 1 29 LEU MD2 4.000 . 5.000 3.513 3.146 3.727 . 0 0 "[ . 1 . 2 . 3]" 1
292 1 29 LEU HA 1 32 TYR QB 2.000 . 5.000 2.479 1.781 3.968 0.009 7 0 "[ . 1 . 2 . 3]" 1
293 1 30 GLU H 1 31 ASP H 3.000 . 5.000 2.512 2.258 2.987 . 0 0 "[ . 1 . 2 . 3]" 1
294 1 30 GLU H 1 32 TYR H 4.000 . 5.000 3.932 3.563 4.758 . 0 0 "[ . 1 . 2 . 3]" 1
295 1 30 GLU HA 1 30 GLU HB2 3.000 . 5.000 2.900 2.758 3.017 . 0 0 "[ . 1 . 2 . 3]" 1
296 1 30 GLU HA 1 30 GLU HB3 3.000 . 5.000 2.783 2.561 2.943 . 0 0 "[ . 1 . 2 . 3]" 1
297 1 30 GLU HA 1 30 GLU HG2 4.000 . 5.000 2.465 2.140 3.406 . 0 0 "[ . 1 . 2 . 3]" 1
298 1 30 GLU HA 1 30 GLU HG3 4.000 . 5.000 3.557 2.982 3.721 . 0 0 "[ . 1 . 2 . 3]" 1
299 1 30 GLU HA 1 33 ILE HB 2.000 . 5.000 3.206 2.395 3.981 . 0 0 "[ . 1 . 2 . 3]" 1
300 1 30 GLU HA 1 33 ILE MD 3.000 . 6.000 2.796 2.025 3.529 . 0 0 "[ . 1 . 2 . 3]" 1
301 1 30 GLU HA 1 33 ILE MG 2.000 . 5.000 4.520 3.655 5.005 0.005 29 0 "[ . 1 . 2 . 3]" 1
302 1 30 GLU QG 1 33 ILE MD 3.000 . 6.000 3.801 2.915 4.725 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 30 GLU QG 1 33 ILE MG 4.000 . 7.000 5.521 4.365 6.295 . 0 0 "[ . 1 . 2 . 3]" 1
304 1 31 ASP H 1 31 ASP HA 3.000 . 5.000 2.858 2.678 2.914 . 0 0 "[ . 1 . 2 . 3]" 1
305 1 31 ASP H 1 32 TYR H 3.000 . 5.000 2.479 2.179 3.053 . 0 0 "[ . 1 . 2 . 3]" 1
306 1 31 ASP H 1 34 ASP H 4.000 . 5.000 4.654 4.419 4.956 . 0 0 "[ . 1 . 2 . 3]" 1
307 1 31 ASP HA 1 32 TYR H 3.000 . 5.000 3.501 3.428 3.695 . 0 0 "[ . 1 . 2 . 3]" 1
308 1 31 ASP HA 1 32 TYR QD 4.000 . 7.000 5.895 4.892 6.559 . 0 0 "[ . 1 . 2 . 3]" 1
309 1 31 ASP HA 1 34 ASP H 4.000 . 5.000 3.293 3.092 3.699 . 0 0 "[ . 1 . 2 . 3]" 1
310 1 31 ASP HA 1 34 ASP HB2 3.000 . 5.000 2.255 1.896 3.023 . 0 0 "[ . 1 . 2 . 3]" 1
311 1 31 ASP HA 1 34 ASP HB3 3.000 . 5.000 3.575 2.810 4.288 . 0 0 "[ . 1 . 2 . 3]" 1
312 1 31 ASP QB 1 34 ASP H 3.000 . 6.000 4.757 4.535 4.993 . 0 0 "[ . 1 . 2 . 3]" 1
313 1 31 ASP QB 1 34 ASP QB 3.000 . 6.000 4.041 3.608 4.608 . 0 0 "[ . 1 . 2 . 3]" 1
314 1 32 TYR H 1 32 TYR QD 4.000 . 7.000 3.171 2.110 4.188 . 0 0 "[ . 1 . 2 . 3]" 1
315 1 32 TYR H 1 32 TYR QE 4.000 . 6.500 4.976 4.077 6.234 . 0 0 "[ . 1 . 2 . 3]" 1
316 1 34 ASP H 1 34 ASP HB2 3.000 . 5.000 2.134 2.054 2.325 . 0 0 "[ . 1 . 2 . 3]" 1
317 1 34 ASP H 1 35 ASN H 2.000 . 5.000 2.735 2.421 3.068 . 0 0 "[ . 1 . 2 . 3]" 1
318 1 34 ASP HA 1 34 ASP HB2 3.000 . 5.000 2.851 2.592 3.016 . 0 0 "[ . 1 . 2 . 3]" 1
319 1 34 ASP HA 1 35 ASN H 3.000 . 5.000 3.511 3.433 3.544 . 0 0 "[ . 1 . 2 . 3]" 1
320 1 35 ASN H 1 35 ASN HA 3.000 . 5.000 2.696 2.649 2.773 . 0 0 "[ . 1 . 2 . 3]" 1
321 1 35 ASN H 1 35 ASN HB3 3.000 . 5.000 3.568 3.221 3.629 . 0 0 "[ . 1 . 2 . 3]" 1
322 1 35 ASN HA 1 35 ASN HB2 3.000 . 5.000 2.978 2.745 3.028 . 0 0 "[ . 1 . 2 . 3]" 1
323 1 35 ASN HA 1 35 ASN HB3 3.000 . 5.000 2.642 2.491 2.937 . 0 0 "[ . 1 . 2 . 3]" 1
324 1 38 VAL H 1 39 ARG H 3.000 . 5.000 4.373 4.311 4.416 . 0 0 "[ . 1 . 2 . 3]" 1
325 1 38 VAL HA 1 39 ARG H 4.000 . 5.000 2.619 2.351 2.710 . 0 0 "[ . 1 . 2 . 3]" 1
326 1 38 VAL HB 1 39 ARG H 4.000 . 5.000 3.838 3.731 4.119 . 0 0 "[ . 1 . 2 . 3]" 1
327 1 39 ARG HA 1 39 ARG HB2 3.000 . 5.000 2.399 2.232 2.604 . 0 0 "[ . 1 . 2 . 3]" 1
328 1 39 ARG HA 1 39 ARG HB3 3.000 . 5.000 3.010 2.847 3.028 . 0 0 "[ . 1 . 2 . 3]" 1
329 1 39 ARG HA 1 39 ARG QD 4.000 . 5.000 2.710 1.990 4.141 . 0 0 "[ . 1 . 2 . 3]" 1
330 1 39 ARG HA 1 39 ARG HG2 4.000 . 5.000 3.793 2.690 4.146 . 0 0 "[ . 1 . 2 . 3]" 1
331 1 39 ARG HA 1 39 ARG HG3 4.000 . 5.000 2.975 2.261 3.509 . 0 0 "[ . 1 . 2 . 3]" 1
332 1 39 ARG HA 1 40 VAL H 3.000 . 5.000 2.160 2.137 2.214 . 0 0 "[ . 1 . 2 . 3]" 1
333 2 2 SER H 2 3 LEU H 4.000 . 5.000 2.482 2.206 2.923 . 0 0 "[ . 1 . 2 . 3]" 1
334 2 2 SER HA 2 2 SER HB2 3.000 . 5.000 3.024 2.989 3.035 . 0 0 "[ . 1 . 2 . 3]" 1
335 2 2 SER HA 2 2 SER HB3 3.000 . 5.000 2.511 2.323 2.663 . 0 0 "[ . 1 . 2 . 3]" 1
336 2 2 SER HA 2 3 LEU H 3.000 . 3.750 3.018 2.712 3.391 . 0 0 "[ . 1 . 2 . 3]" 1
337 2 2 SER QB 2 3 LEU H 3.000 . 4.750 3.728 3.279 3.911 . 0 0 "[ . 1 . 2 . 3]" 1
338 2 3 LEU H 2 3 LEU HA 3.000 . 3.750 2.898 2.847 2.941 . 0 0 "[ . 1 . 2 . 3]" 1
339 2 3 LEU H 2 4 THR H 3.000 . 5.000 3.507 2.935 3.921 . 0 0 "[ . 1 . 2 . 3]" 1
340 2 3 LEU HA 2 3 LEU HG 4.000 . 5.000 2.307 2.227 2.416 . 0 0 "[ . 1 . 2 . 3]" 1
341 2 3 LEU HA 2 4 THR H 2.000 . 5.000 2.521 2.321 2.776 . 0 0 "[ . 1 . 2 . 3]" 1
342 2 3 LEU HA 2 4 THR MG 3.000 . 5.000 4.420 3.992 5.027 0.027 9 0 "[ . 1 . 2 . 3]" 1
343 2 3 LEU HA 2 7 GLU H 3.000 . 6.000 4.703 4.391 5.546 . 0 0 "[ . 1 . 2 . 3]" 1
344 2 3 LEU QB 2 4 THR H 3.000 . 5.000 3.893 3.820 3.927 . 0 0 "[ . 1 . 2 . 3]" 1
345 2 3 LEU QD 2 4 THR H 2.000 . 4.800 4.400 4.196 4.564 . 0 0 "[ . 1 . 2 . 3]" 1
346 2 4 THR H 2 4 THR MG 2.000 . 5.000 3.189 2.682 3.854 . 0 0 "[ . 1 . 2 . 3]" 1
347 2 4 THR H 2 7 GLU H 3.000 . 5.000 3.050 2.712 3.596 . 0 0 "[ . 1 . 2 . 3]" 1
348 2 4 THR H 2 8 VAL H 3.000 . 5.000 4.560 3.820 5.174 0.174 8 0 "[ . 1 . 2 . 3]" 1
349 2 4 THR HA 2 6 GLU H 3.000 . 5.000 4.834 4.465 5.352 0.352 10 0 "[ . 1 . 2 . 3]" 1
350 2 4 THR HA 2 7 GLU H 4.000 . 5.000 4.531 4.379 5.027 0.027 10 0 "[ . 1 . 2 . 3]" 1
351 2 4 THR HB 2 5 TYR H 3.000 . 5.000 1.777 1.677 1.842 0.113 19 0 "[ . 1 . 2 . 3]" 1
352 2 4 THR HB 2 6 GLU H 4.000 2.790 6.000 3.707 2.457 4.163 0.333 9 0 "[ . 1 . 2 . 3]" 1
353 2 4 THR HB 2 7 GLU H 3.000 . 5.000 4.794 3.647 5.036 0.036 12 0 "[ . 1 . 2 . 3]" 1
354 2 4 THR HB 2 7 GLU QB 4.000 . 6.000 5.163 4.234 5.506 . 0 0 "[ . 1 . 2 . 3]" 1
355 2 4 THR MG 2 5 TYR H 3.000 . 5.000 3.324 2.474 3.555 . 0 0 "[ . 1 . 2 . 3]" 1
356 2 4 THR MG 2 6 GLU H 3.000 . 5.500 4.756 3.993 5.084 . 0 0 "[ . 1 . 2 . 3]" 1
357 2 4 THR MG 2 7 GLU H 3.000 . 5.500 5.180 4.754 5.411 . 0 0 "[ . 1 . 2 . 3]" 1
358 2 4 THR MG 2 7 GLU QB 3.000 . 7.000 4.666 4.100 4.965 . 0 0 "[ . 1 . 2 . 3]" 1
359 2 5 TYR H 2 5 TYR HB2 3.000 . 5.000 2.421 2.090 2.930 . 0 0 "[ . 1 . 2 . 3]" 1
360 2 5 TYR H 2 5 TYR HB3 3.000 . 5.000 2.670 2.115 3.241 . 0 0 "[ . 1 . 2 . 3]" 1
361 2 5 TYR H 2 5 TYR QD 3.000 . 5.500 4.103 3.639 4.230 . 0 0 "[ . 1 . 2 . 3]" 1
362 2 5 TYR H 2 6 GLU H 2.000 . 5.000 3.047 2.392 3.233 . 0 0 "[ . 1 . 2 . 3]" 1
363 2 5 TYR H 2 7 GLU H 4.000 . 5.000 4.198 3.812 4.292 . 0 0 "[ . 1 . 2 . 3]" 1
364 2 5 TYR HA 2 5 TYR HB2 3.000 . 5.000 2.470 2.260 2.750 . 0 0 "[ . 1 . 2 . 3]" 1
365 2 5 TYR HA 2 5 TYR HB3 3.000 . 5.000 3.015 2.924 3.028 . 0 0 "[ . 1 . 2 . 3]" 1
366 2 5 TYR HA 2 5 TYR QD 4.000 . 6.500 2.312 1.838 3.144 . 0 0 "[ . 1 . 2 . 3]" 1
367 2 5 TYR HA 2 5 TYR QE 4.000 . 6.500 4.457 4.203 5.092 . 0 0 "[ . 1 . 2 . 3]" 1
368 2 5 TYR HA 2 6 GLU H 2.000 . 5.000 3.573 3.498 3.622 . 0 0 "[ . 1 . 2 . 3]" 1
369 2 5 TYR HA 2 8 VAL H 3.000 . 5.000 3.549 3.148 3.830 . 0 0 "[ . 1 . 2 . 3]" 1
370 2 5 TYR HA 2 8 VAL MG1 3.000 . 6.000 2.329 1.918 2.982 . 0 0 "[ . 1 . 2 . 3]" 1
371 2 5 TYR HA 2 8 VAL QG 3.000 . 6.150 2.322 1.916 2.949 . 0 0 "[ . 1 . 2 . 3]" 1
372 2 5 TYR HA 2 8 VAL MG2 3.000 . 6.000 4.763 4.198 5.110 . 0 0 "[ . 1 . 2 . 3]" 1
373 2 5 TYR HA 2 9 LEU QD 3.000 . 7.000 4.637 3.599 5.544 . 0 0 "[ . 1 . 2 . 3]" 1
374 2 5 TYR QB 2 9 LEU MD1 3.000 . 8.000 4.191 3.476 5.270 . 0 0 "[ . 1 . 2 . 3]" 1
375 2 5 TYR QB 2 9 LEU MD2 3.000 . 7.000 5.998 5.258 6.586 . 0 0 "[ . 1 . 2 . 3]" 1
376 2 5 TYR HB2 2 6 GLU H 2.000 . 5.000 3.901 3.451 4.397 . 0 0 "[ . 1 . 2 . 3]" 1
377 2 5 TYR HB2 2 7 GLU H 4.000 . 5.500 5.505 5.301 5.572 0.072 4 0 "[ . 1 . 2 . 3]" 1
378 2 5 TYR HB2 2 8 VAL MG1 4.000 . 6.000 4.264 3.439 4.856 . 0 0 "[ . 1 . 2 . 3]" 1
379 2 5 TYR HB3 2 6 GLU H 2.000 . 5.000 2.648 2.134 3.324 . 0 0 "[ . 1 . 2 . 3]" 1
380 2 5 TYR HB3 2 7 GLU H 4.000 . 5.500 4.822 4.595 5.127 . 0 0 "[ . 1 . 2 . 3]" 1
381 2 5 TYR HB3 2 8 VAL MG1 4.000 . 6.000 4.596 4.384 4.956 . 0 0 "[ . 1 . 2 . 3]" 1
382 2 5 TYR QD 2 6 GLU H 4.000 . 5.500 3.929 2.642 4.470 . 0 0 "[ . 1 . 2 . 3]" 1
383 2 5 TYR QD 2 6 GLU QG 3.000 . 8.000 4.219 3.226 5.597 . 0 0 "[ . 1 . 2 . 3]" 1
384 2 5 TYR QD 2 7 GLU H 4.000 . 7.000 5.326 4.791 5.581 . 0 0 "[ . 1 . 2 . 3]" 1
385 2 5 TYR QD 2 8 VAL H 4.000 . 7.500 5.007 3.975 5.582 . 0 0 "[ . 1 . 2 . 3]" 1
386 2 5 TYR QD 2 8 VAL HB 3.000 . 7.000 4.983 3.691 5.997 . 0 0 "[ . 1 . 2 . 3]" 1
387 2 5 TYR QD 2 8 VAL MG1 4.000 . 5.500 2.668 1.947 3.374 . 0 0 "[ . 1 . 2 . 3]" 1
388 2 5 TYR QD 2 9 LEU H 3.000 . 6.500 4.686 3.994 5.266 . 0 0 "[ . 1 . 2 . 3]" 1
389 2 5 TYR QD 2 9 LEU MD1 3.000 . 6.000 3.268 2.466 4.516 . 0 0 "[ . 1 . 2 . 3]" 1
390 2 5 TYR QD 2 9 LEU HG 3.000 . 6.500 4.014 2.868 4.984 . 0 0 "[ . 1 . 2 . 3]" 1
391 2 5 TYR HD1 2 8 VAL QG 3.000 . 9.150 2.668 1.945 3.395 . 0 0 "[ . 1 . 2 . 3]" 1
392 2 5 TYR QE 2 6 GLU H 4.000 . 6.500 5.801 4.700 6.491 . 0 0 "[ . 1 . 2 . 3]" 1
393 2 5 TYR QE 2 6 GLU QG 3.000 . 8.000 5.276 3.412 6.467 . 0 0 "[ . 1 . 2 . 3]" 1
394 2 5 TYR QE 2 9 LEU H 3.000 . 7.000 5.340 4.807 5.933 . 0 0 "[ . 1 . 2 . 3]" 1
395 2 5 TYR QE 2 9 LEU MD1 3.000 . 5.500 2.913 2.055 4.122 . 0 0 "[ . 1 . 2 . 3]" 1
396 2 5 TYR QE 2 9 LEU HG 3.000 . 6.500 3.493 2.724 4.561 . 0 0 "[ . 1 . 2 . 3]" 1
397 2 6 GLU H 2 6 GLU HA 3.000 . 5.000 2.821 2.654 2.868 . 0 0 "[ . 1 . 2 . 3]" 1
398 2 6 GLU H 2 6 GLU HG2 4.000 . 6.000 4.161 3.486 4.575 . 0 0 "[ . 1 . 2 . 3]" 1
399 2 6 GLU H 2 6 GLU HG3 4.000 . 6.000 3.475 2.206 4.258 . 0 0 "[ . 1 . 2 . 3]" 1
400 2 6 GLU H 2 7 GLU H 3.000 . 5.000 2.656 2.514 3.067 . 0 0 "[ . 1 . 2 . 3]" 1
401 2 6 GLU H 2 7 GLU HA 3.000 . 5.500 5.222 5.090 5.582 0.082 10 0 "[ . 1 . 2 . 3]" 1
402 2 6 GLU H 2 8 VAL H 3.000 . 5.000 4.478 4.180 4.731 . 0 0 "[ . 1 . 2 . 3]" 1
403 2 6 GLU H 2 9 LEU QD 2.000 . 6.800 4.408 3.847 5.577 . 0 0 "[ . 1 . 2 . 3]" 1
404 2 6 GLU HA 2 7 GLU H 2.000 . 5.000 3.429 3.344 3.520 . 0 0 "[ . 1 . 2 . 3]" 1
405 2 6 GLU HA 2 8 VAL H 3.000 . 5.000 4.598 3.899 4.974 . 0 0 "[ . 1 . 2 . 3]" 1
406 2 7 GLU H 2 7 GLU QB 3.000 . 5.000 2.244 2.172 2.396 . 0 0 "[ . 1 . 2 . 3]" 1
407 2 7 GLU H 2 8 VAL H 3.000 . 5.000 2.457 2.139 2.661 . 0 0 "[ . 1 . 2 . 3]" 1
408 2 7 GLU H 2 9 LEU H 3.000 . 5.000 3.818 3.697 4.231 . 0 0 "[ . 1 . 2 . 3]" 1
409 2 7 GLU QB 2 8 VAL H 3.000 . 5.000 2.566 2.300 3.090 . 0 0 "[ . 1 . 2 . 3]" 1
410 2 8 VAL H 2 8 VAL HA 3.000 . 5.000 2.830 2.676 2.920 . 0 0 "[ . 1 . 2 . 3]" 1
411 2 8 VAL H 2 8 VAL MG1 3.500 . 5.875 2.261 2.047 2.712 . 0 0 "[ . 1 . 2 . 3]" 1
412 2 8 VAL H 2 8 VAL MG2 3.500 . 5.875 3.752 3.656 3.843 . 0 0 "[ . 1 . 2 . 3]" 1
413 2 8 VAL H 2 9 LEU H 3.000 . 5.000 2.602 2.204 3.247 . 0 0 "[ . 1 . 2 . 3]" 1
414 2 8 VAL H 2 10 GLN H 4.000 . 5.000 4.578 4.192 4.877 . 0 0 "[ . 1 . 2 . 3]" 1
415 2 8 VAL HA 2 10 GLN H 4.000 . 5.000 4.594 4.247 4.878 . 0 0 "[ . 1 . 2 . 3]" 1
416 2 8 VAL MG1 2 10 GLN H 4.000 . 6.000 4.575 4.112 4.779 . 0 0 "[ . 1 . 2 . 3]" 1
417 2 9 LEU H 2 10 GLN H 2.000 . 5.000 2.914 2.712 3.011 . 0 0 "[ . 1 . 2 . 3]" 1
418 2 9 LEU HA 2 10 GLN H 4.000 . 5.000 3.581 3.537 3.603 . 0 0 "[ . 1 . 2 . 3]" 1
419 2 10 GLN H 2 10 GLN QB 2.000 . 5.000 2.246 2.077 2.535 . 0 0 "[ . 1 . 2 . 3]" 1
420 2 10 GLN H 2 10 GLN QG 3.500 . 5.375 2.686 2.178 3.211 . 0 0 "[ . 1 . 2 . 3]" 1
421 2 10 GLN H 2 12 LEU H 3.000 . 5.000 4.380 3.987 4.819 . 0 0 "[ . 1 . 2 . 3]" 1
422 2 10 GLN HA 2 12 LEU H 3.000 . 5.000 4.241 3.822 4.854 . 0 0 "[ . 1 . 2 . 3]" 1
423 2 10 GLN HA 2 13 VAL HB 4.000 . 5.000 4.043 3.120 4.635 . 0 0 "[ . 1 . 2 . 3]" 1
424 2 11 GLU HA 2 11 GLU HG2 3.000 . 5.000 2.461 2.110 2.861 . 0 0 "[ . 1 . 2 . 3]" 1
425 2 11 GLU HA 2 14 LYS HB2 4.000 . 5.000 2.992 2.411 3.801 . 0 0 "[ . 1 . 2 . 3]" 1
426 2 11 GLU HA 2 14 LYS HD2 4.000 . 5.000 4.041 2.843 4.979 . 0 0 "[ . 1 . 2 . 3]" 1
427 2 11 GLU HA 2 14 LYS QD 2.000 . 5.000 3.309 2.501 3.885 . 0 0 "[ . 1 . 2 . 3]" 1
428 2 11 GLU HA 2 14 LYS HD3 4.000 . 5.000 3.643 2.563 4.815 . 0 0 "[ . 1 . 2 . 3]" 1
429 2 11 GLU HA 2 14 LYS QE 4.000 . 6.000 5.311 4.440 5.958 . 0 0 "[ . 1 . 2 . 3]" 1
430 2 11 GLU HA 2 14 LYS QG 4.000 . 5.000 4.347 2.903 5.046 0.046 22 0 "[ . 1 . 2 . 3]" 1
431 2 12 LEU H 2 12 LEU MD1 4.000 . 6.000 4.297 4.124 4.376 . 0 0 "[ . 1 . 2 . 3]" 1
432 2 12 LEU H 2 12 LEU MD2 4.000 . 6.000 3.440 2.607 3.913 . 0 0 "[ . 1 . 2 . 3]" 1
433 2 12 LEU HA 2 13 VAL H 2.000 . 5.000 3.575 3.512 3.640 . 0 0 "[ . 1 . 2 . 3]" 1
434 2 12 LEU HA 2 15 HIS H 3.000 . 5.000 3.700 3.364 4.013 . 0 0 "[ . 1 . 2 . 3]" 1
435 2 12 LEU HA 2 15 HIS HB2 3.000 . 5.000 3.065 2.710 3.426 . 0 0 "[ . 1 . 2 . 3]" 1
436 2 12 LEU HA 2 15 HIS HB3 3.000 . 5.000 4.683 4.292 5.039 0.039 18 0 "[ . 1 . 2 . 3]" 1
437 2 12 LEU HA 2 15 HIS HD2 3.000 . 5.000 4.252 2.370 5.018 0.018 14 0 "[ . 1 . 2 . 3]" 1
438 2 12 LEU HA 2 16 LYS H 4.000 . 6.000 4.336 3.768 4.742 . 0 0 "[ . 1 . 2 . 3]" 1
439 2 12 LEU MD1 2 16 LYS QE 4.000 . 7.000 3.223 2.134 3.755 . 0 0 "[ . 1 . 2 . 3]" 1
440 2 12 LEU MD2 2 15 HIS H 3.000 . 6.000 4.938 4.482 5.386 . 0 0 "[ . 1 . 2 . 3]" 1
441 2 12 LEU MD2 2 15 HIS HB3 4.000 . 5.000 4.710 3.751 5.414 0.414 1 0 "[ . 1 . 2 . 3]" 1
442 2 12 LEU MD2 2 16 LYS H 4.000 . 6.000 4.943 3.938 5.493 . 0 0 "[ . 1 . 2 . 3]" 1
443 2 12 LEU MD2 2 16 LYS QE 4.000 . 7.000 5.309 4.382 5.819 . 0 0 "[ . 1 . 2 . 3]" 1
444 2 12 LEU HG 2 16 LYS QE 4.000 . 7.000 5.588 4.352 6.399 . 0 0 "[ . 1 . 2 . 3]" 1
445 2 13 VAL HA 2 14 LYS H 3.000 . 5.000 3.517 3.337 3.626 . 0 0 "[ . 1 . 2 . 3]" 1
446 2 13 VAL HA 2 16 LYS H 4.000 . 5.500 3.614 3.185 4.157 . 0 0 "[ . 1 . 2 . 3]" 1
447 2 13 VAL HA 2 16 LYS QB 4.000 . 5.000 2.704 1.931 3.875 . 0 0 "[ . 1 . 2 . 3]" 1
448 2 13 VAL HA 2 16 LYS HD2 4.000 . 5.000 4.199 3.323 4.863 . 0 0 "[ . 1 . 2 . 3]" 1
449 2 13 VAL HA 2 16 LYS HD3 4.000 . 5.000 2.881 2.302 3.655 . 0 0 "[ . 1 . 2 . 3]" 1
450 2 13 VAL HA 2 16 LYS QG 4.000 2.790 6.000 4.103 3.135 4.915 . 0 0 "[ . 1 . 2 . 3]" 1
451 2 13 VAL HA 2 17 GLU HB2 4.000 . 7.000 5.227 4.313 6.891 . 0 0 "[ . 1 . 2 . 3]" 1
452 2 13 VAL HA 2 17 GLU HB3 3.000 2.790 6.000 5.417 4.623 6.016 0.016 7 0 "[ . 1 . 2 . 3]" 1
453 2 13 VAL HB 2 14 LYS H 3.000 . 5.000 3.940 3.507 4.239 . 0 0 "[ . 1 . 2 . 3]" 1
454 2 13 VAL QG 2 15 HIS HB3 4.000 . 8.000 6.545 6.228 6.910 . 0 0 "[ . 1 . 2 . 3]" 1
455 2 13 VAL MG1 2 14 LYS H 3.500 . 5.375 2.156 1.800 2.746 . 0 0 "[ . 1 . 2 . 3]" 1
456 2 13 VAL MG2 2 14 LYS H 3.500 . 5.375 3.731 3.031 4.289 . 0 0 "[ . 1 . 2 . 3]" 1
457 2 14 LYS H 2 14 LYS QB 3.000 . 4.750 2.222 2.034 2.422 . 0 0 "[ . 1 . 2 . 3]" 1
458 2 14 LYS H 2 14 LYS QD 4.000 . 6.000 4.154 3.615 4.469 . 0 0 "[ . 1 . 2 . 3]" 1
459 2 14 LYS H 2 15 HIS H 2.000 . 5.000 2.749 2.315 3.070 . 0 0 "[ . 1 . 2 . 3]" 1
460 2 14 LYS HE2 2 18 LEU MD2 3.000 . 7.000 5.118 3.960 6.887 . 0 0 "[ . 1 . 2 . 3]" 1
461 2 14 LYS HE3 2 18 LEU MD1 3.000 . 7.000 4.087 3.152 4.922 . 0 0 "[ . 1 . 2 . 3]" 1
462 2 14 LYS HE3 2 18 LEU MD2 3.000 . 7.000 5.287 4.360 6.608 . 0 0 "[ . 1 . 2 . 3]" 1
463 2 14 LYS QG 2 18 LEU MD1 4.000 . 7.000 2.902 1.972 4.614 . 0 0 "[ . 1 . 2 . 3]" 1
464 2 14 LYS QG 2 18 LEU MD2 4.000 . 7.000 4.613 3.591 6.390 . 0 0 "[ . 1 . 2 . 3]" 1
465 2 15 HIS HA 2 15 HIS HB2 3.000 . 5.000 3.009 2.992 3.038 . 0 0 "[ . 1 . 2 . 3]" 1
466 2 15 HIS HA 2 15 HIS HB3 3.000 . 5.000 2.588 2.489 2.653 . 0 0 "[ . 1 . 2 . 3]" 1
467 2 15 HIS HA 2 15 HIS HD2 4.000 . 5.000 3.376 2.663 4.569 . 0 0 "[ . 1 . 2 . 3]" 1
468 2 15 HIS HA 2 19 LEU H 4.000 . 5.000 4.306 3.923 5.016 0.016 4 0 "[ . 1 . 2 . 3]" 1
469 2 15 HIS HB2 2 15 HIS HD2 4.000 . 5.000 3.143 2.685 3.606 . 0 0 "[ . 1 . 2 . 3]" 1
470 2 15 HIS HB2 2 19 LEU QD 3.000 . 7.000 4.843 3.894 5.556 . 0 0 "[ . 1 . 2 . 3]" 1
471 2 15 HIS HB3 2 15 HIS HD2 4.000 . 5.000 3.878 3.575 3.978 . 0 0 "[ . 1 . 2 . 3]" 1
472 2 15 HIS HB3 2 19 LEU QD 3.000 . 7.000 3.608 2.826 4.265 . 0 0 "[ . 1 . 2 . 3]" 1
473 2 15 HIS HD2 2 16 LYS H 4.000 . 5.000 4.922 4.704 5.081 0.081 21 0 "[ . 1 . 2 . 3]" 1
474 2 16 LYS H 2 16 LYS HA 3.000 . 5.000 2.798 2.677 2.879 . 0 0 "[ . 1 . 2 . 3]" 1
475 2 16 LYS H 2 17 GLU H 2.000 . 5.000 2.798 2.461 3.165 . 0 0 "[ . 1 . 2 . 3]" 1
476 2 16 LYS HA 2 19 LEU QB 2.000 . 5.000 2.904 2.255 3.571 . 0 0 "[ . 1 . 2 . 3]" 1
477 2 17 GLU H 2 19 LEU H 4.000 . 5.000 4.179 4.014 4.356 . 0 0 "[ . 1 . 2 . 3]" 1
478 2 17 GLU HA 2 20 ARG QB 2.000 . 5.000 2.484 2.111 3.308 . 0 0 "[ . 1 . 2 . 3]" 1
479 2 18 LEU HA 2 18 LEU MD1 3.500 . 5.000 3.799 3.713 3.874 . 0 0 "[ . 1 . 2 . 3]" 1
480 2 18 LEU HA 2 18 LEU MD2 3.500 . 5.000 2.276 2.071 2.637 . 0 0 "[ . 1 . 2 . 3]" 1
481 2 18 LEU HA 2 20 ARG H 3.000 . 5.000 4.254 4.092 4.438 . 0 0 "[ . 1 . 2 . 3]" 1
482 2 18 LEU HA 2 21 ARG QB 2.000 . 5.000 3.240 2.897 3.517 . 0 0 "[ . 1 . 2 . 3]" 1
483 2 18 LEU HA 2 21 ARG QG 4.000 2.790 7.000 5.157 3.880 5.610 . 0 0 "[ . 1 . 2 . 3]" 1
484 2 19 LEU H 2 19 LEU HA 3.000 . 5.000 2.847 2.809 2.903 . 0 0 "[ . 1 . 2 . 3]" 1
485 2 19 LEU H 2 20 ARG H 3.000 . 5.000 2.529 2.261 2.660 . 0 0 "[ . 1 . 2 . 3]" 1
486 2 19 LEU H 2 21 ARG H 3.000 . 5.000 4.591 4.327 4.775 . 0 0 "[ . 1 . 2 . 3]" 1
487 2 19 LEU HA 2 19 LEU MD1 4.000 . 5.000 3.730 3.616 3.887 . 0 0 "[ . 1 . 2 . 3]" 1
488 2 19 LEU HA 2 19 LEU MD2 4.000 . 5.000 2.574 2.280 2.777 . 0 0 "[ . 1 . 2 . 3]" 1
489 2 19 LEU HA 2 20 ARG H 4.000 . 5.000 3.513 3.449 3.532 . 0 0 "[ . 1 . 2 . 3]" 1
490 2 19 LEU HA 2 22 LYS H 3.000 . 5.000 3.696 3.501 3.918 . 0 0 "[ . 1 . 2 . 3]" 1
491 2 19 LEU HA 2 22 LYS QB 2.000 . 5.000 2.636 2.279 2.982 . 0 0 "[ . 1 . 2 . 3]" 1
492 2 20 ARG H 2 21 ARG H 4.000 . 5.000 2.866 2.605 2.963 . 0 0 "[ . 1 . 2 . 3]" 1
493 2 20 ARG H 2 22 LYS H 3.000 . 5.000 4.056 3.886 4.236 . 0 0 "[ . 1 . 2 . 3]" 1
494 2 20 ARG HA 2 20 ARG HB2 3.000 . 5.000 2.935 2.606 3.029 . 0 0 "[ . 1 . 2 . 3]" 1
495 2 20 ARG HA 2 20 ARG HB3 3.000 . 5.000 2.681 2.387 3.001 . 0 0 "[ . 1 . 2 . 3]" 1
496 2 20 ARG HA 2 20 ARG HD2 3.500 . 5.000 4.197 1.910 4.835 . 0 0 "[ . 1 . 2 . 3]" 1
497 2 20 ARG HA 2 20 ARG HD3 3.500 . 5.000 3.998 1.947 4.692 . 0 0 "[ . 1 . 2 . 3]" 1
498 2 20 ARG HA 2 23 ASP HB2 2.000 . 5.000 3.417 2.841 4.526 . 0 0 "[ . 1 . 2 . 3]" 1
499 2 20 ARG HA 2 23 ASP HB3 2.000 . 5.000 4.761 3.996 5.070 0.070 25 0 "[ . 1 . 2 . 3]" 1
500 2 20 ARG HA 2 24 THR HB 2.500 . 6.000 5.906 5.357 6.028 0.028 4 0 "[ . 1 . 2 . 3]" 1
501 2 20 ARG HA 2 24 THR MG 3.000 . 7.000 6.397 6.008 6.699 . 0 0 "[ . 1 . 2 . 3]" 1
502 2 21 ARG H 2 22 LYS H 4.000 . 5.000 2.874 2.710 3.031 . 0 0 "[ . 1 . 2 . 3]" 1
503 2 21 ARG HA 2 21 ARG HB2 3.000 . 5.000 2.663 2.257 2.994 . 0 0 "[ . 1 . 2 . 3]" 1
504 2 21 ARG HA 2 21 ARG HB3 3.000 . 5.000 2.935 2.615 3.025 . 0 0 "[ . 1 . 2 . 3]" 1
505 2 21 ARG HA 2 21 ARG QD 4.000 . 5.000 3.914 2.902 4.141 . 0 0 "[ . 1 . 2 . 3]" 1
506 2 21 ARG HA 2 21 ARG QG 3.000 . 5.000 2.336 2.010 3.218 . 0 0 "[ . 1 . 2 . 3]" 1
507 2 21 ARG HA 2 24 THR HA 4.000 . 5.500 5.009 4.735 5.266 . 0 0 "[ . 1 . 2 . 3]" 1
508 2 21 ARG HA 2 24 THR HB 2.000 . 5.000 2.301 2.061 2.636 . 0 0 "[ . 1 . 2 . 3]" 1
509 2 21 ARG QB 2 21 ARG QD 3.000 . 5.000 2.098 2.005 2.300 . 0 0 "[ . 1 . 2 . 3]" 1
510 2 21 ARG QB 2 24 THR HB 4.000 . 5.000 4.296 3.965 4.550 . 0 0 "[ . 1 . 2 . 3]" 1
511 2 21 ARG HB2 2 24 THR HB 4.000 . 6.000 4.839 4.133 5.562 . 0 0 "[ . 1 . 2 . 3]" 1
512 2 21 ARG HB3 2 24 THR HB 3.000 . 6.000 4.869 4.500 5.334 . 0 0 "[ . 1 . 2 . 3]" 1
513 2 21 ARG HG3 2 24 THR HB 4.000 . 5.000 3.940 3.057 4.776 . 0 0 "[ . 1 . 2 . 3]" 1
514 2 22 LYS H 2 22 LYS HA 3.000 . 5.000 2.746 2.699 2.812 . 0 0 "[ . 1 . 2 . 3]" 1
515 2 22 LYS H 2 25 HIS H 4.000 . 5.000 4.780 4.630 5.072 0.072 12 0 "[ . 1 . 2 . 3]" 1
516 2 22 LYS HA 2 25 HIS QB 3.000 2.790 5.000 3.131 2.806 3.495 . 0 0 "[ . 1 . 2 . 3]" 1
517 2 22 LYS HA 2 26 ILE H 4.000 . 5.000 4.459 4.158 4.774 . 0 0 "[ . 1 . 2 . 3]" 1
518 2 23 ASP H 2 24 THR H 3.000 . 5.000 2.571 2.238 2.746 . 0 0 "[ . 1 . 2 . 3]" 1
519 2 23 ASP HA 2 23 ASP HB2 3.000 . 5.000 2.928 2.599 3.030 . 0 0 "[ . 1 . 2 . 3]" 1
520 2 23 ASP HA 2 23 ASP HB3 3.000 . 5.000 2.720 2.526 3.010 . 0 0 "[ . 1 . 2 . 3]" 1
521 2 23 ASP HA 2 26 ILE H 3.000 . 5.000 3.613 3.418 3.961 . 0 0 "[ . 1 . 2 . 3]" 1
522 2 23 ASP HA 2 26 ILE HB 3.000 . 5.000 4.910 4.680 5.047 0.047 11 0 "[ . 1 . 2 . 3]" 1
523 2 23 ASP HA 2 26 ILE MD 3.000 . 7.400 2.611 2.279 2.872 . 0 0 "[ . 1 . 2 . 3]" 1
524 2 23 ASP HA 2 26 ILE MG 3.000 . 5.000 3.630 3.334 4.021 . 0 0 "[ . 1 . 2 . 3]" 1
525 2 23 ASP QB 2 24 THR HB 4.000 . 6.000 4.804 4.346 5.036 . 0 0 "[ . 1 . 2 . 3]" 1
526 2 23 ASP HB2 2 24 THR H 2.000 . 5.000 2.956 2.182 3.655 . 0 0 "[ . 1 . 2 . 3]" 1
527 2 23 ASP HB2 2 26 ILE MD 3.000 . 6.000 4.729 4.116 4.993 . 0 0 "[ . 1 . 2 . 3]" 1
528 2 23 ASP HB2 2 26 ILE MG 3.000 . 7.000 6.043 5.584 6.544 . 0 0 "[ . 1 . 2 . 3]" 1
529 2 23 ASP HB3 2 24 THR H 2.000 . 5.000 3.179 2.147 3.981 . 0 0 "[ . 1 . 2 . 3]" 1
530 2 23 ASP HB3 2 26 ILE MD 3.000 . 7.000 4.011 3.479 4.847 . 0 0 "[ . 1 . 2 . 3]" 1
531 2 24 THR H 2 24 THR MG 4.000 . 5.000 3.749 3.619 3.809 . 0 0 "[ . 1 . 2 . 3]" 1
532 2 24 THR H 2 25 HIS H 3.000 . 5.000 2.704 2.238 3.000 . 0 0 "[ . 1 . 2 . 3]" 1
533 2 24 THR HA 2 24 THR HB 3.000 . 5.000 3.022 2.991 3.029 . 0 0 "[ . 1 . 2 . 3]" 1
534 2 24 THR HA 2 28 GLU HB2 3.000 . 7.000 6.420 5.191 6.973 . 0 0 "[ . 1 . 2 . 3]" 1
535 2 24 THR HA 2 28 GLU HB3 4.000 . 6.500 4.954 4.404 5.487 . 0 0 "[ . 1 . 2 . 3]" 1
536 2 24 THR HB 2 27 ARG H 4.000 . 6.000 5.474 5.243 5.844 . 0 0 "[ . 1 . 2 . 3]" 1
537 2 24 THR MG 2 25 HIS HA 4.000 . 5.000 3.731 3.205 4.160 . 0 0 "[ . 1 . 2 . 3]" 1
538 2 24 THR MG 2 28 GLU HG3 4.000 . 5.000 4.829 4.060 5.549 0.549 3 4 "[ + . * * . - 2 . 3]" 1
539 2 25 HIS H 2 26 ILE H 4.000 . 5.000 2.685 2.388 3.207 . 0 0 "[ . 1 . 2 . 3]" 1
540 2 25 HIS HA 2 25 HIS HD2 4.000 . 5.000 4.032 2.650 4.705 . 0 0 "[ . 1 . 2 . 3]" 1
541 2 25 HIS HA 2 28 GLU HA 4.000 . 5.500 5.504 5.186 5.587 0.087 27 0 "[ . 1 . 2 . 3]" 1
542 2 25 HIS HA 2 28 GLU QB 4.000 . 5.000 3.479 2.325 3.913 . 0 0 "[ . 1 . 2 . 3]" 1
543 2 25 HIS HA 2 28 GLU QG 4.000 . 5.000 2.312 1.803 4.159 . 0 0 "[ . 1 . 2 . 3]" 1
544 2 25 HIS HA 2 29 LEU H 4.000 . 5.000 3.864 3.415 4.410 . 0 0 "[ . 1 . 2 . 3]" 1
545 2 25 HIS QB 2 26 ILE H 3.000 . 7.400 2.539 2.311 2.793 . 0 0 "[ . 1 . 2 . 3]" 1
546 2 26 ILE H 2 27 ARG H 3.000 . 5.000 2.567 2.347 2.801 . 0 0 "[ . 1 . 2 . 3]" 1
547 2 26 ILE H 2 28 GLU H 4.000 . 5.000 4.237 4.032 4.401 . 0 0 "[ . 1 . 2 . 3]" 1
548 2 26 ILE H 2 29 LEU H 4.000 . 5.000 4.838 4.678 5.013 0.013 6 0 "[ . 1 . 2 . 3]" 1
549 2 26 ILE HA 2 29 LEU QB 2.000 . 5.000 2.926 2.401 3.332 . 0 0 "[ . 1 . 2 . 3]" 1
550 2 26 ILE HA 2 29 LEU QD 3.000 . 6.150 3.762 3.230 4.219 . 0 0 "[ . 1 . 2 . 3]" 1
551 2 27 ARG H 2 27 ARG QD 2.000 . 6.000 4.369 3.719 4.765 . 0 0 "[ . 1 . 2 . 3]" 1
552 2 27 ARG H 2 27 ARG QG 2.000 . 6.000 3.979 3.823 4.064 . 0 0 "[ . 1 . 2 . 3]" 1
553 2 27 ARG H 2 28 GLU H 3.000 . 5.000 2.473 2.223 2.840 . 0 0 "[ . 1 . 2 . 3]" 1
554 2 27 ARG H 2 29 LEU H 4.000 . 5.000 3.955 3.735 4.403 . 0 0 "[ . 1 . 2 . 3]" 1
555 2 27 ARG H 2 30 GLU H 4.000 . 5.000 4.670 4.453 5.011 0.011 26 0 "[ . 1 . 2 . 3]" 1
556 2 27 ARG HA 2 27 ARG QD 4.000 . 5.000 3.822 3.159 4.139 . 0 0 "[ . 1 . 2 . 3]" 1
557 2 27 ARG HA 2 29 LEU H 3.000 . 5.000 4.574 4.141 4.810 . 0 0 "[ . 1 . 2 . 3]" 1
558 2 27 ARG HA 2 30 GLU H 2.000 . 5.000 3.563 3.361 3.773 . 0 0 "[ . 1 . 2 . 3]" 1
559 2 27 ARG HA 2 30 GLU HB2 4.000 . 5.000 2.543 2.214 3.232 . 0 0 "[ . 1 . 2 . 3]" 1
560 2 27 ARG HA 2 30 GLU QB 2.000 . 5.000 2.513 2.193 3.168 . 0 0 "[ . 1 . 2 . 3]" 1
561 2 27 ARG HA 2 30 GLU HB3 4.000 . 5.000 3.942 3.412 4.649 . 0 0 "[ . 1 . 2 . 3]" 1
562 2 27 ARG HA 2 30 GLU HG2 3.000 . 5.000 3.996 2.752 4.992 . 0 0 "[ . 1 . 2 . 3]" 1
563 2 27 ARG HA 2 30 GLU HG3 3.000 . 5.000 3.378 2.524 3.996 . 0 0 "[ . 1 . 2 . 3]" 1
564 2 27 ARG QB 2 27 ARG HD3 3.000 . 5.000 2.511 1.935 3.329 . 0 0 "[ . 1 . 2 . 3]" 1
565 2 28 GLU H 2 29 LEU H 3.000 . 5.000 2.620 2.508 2.769 . 0 0 "[ . 1 . 2 . 3]" 1
566 2 28 GLU H 2 30 GLU H 3.000 . 5.000 3.837 3.701 4.366 . 0 0 "[ . 1 . 2 . 3]" 1
567 2 28 GLU HA 2 28 GLU HB2 3.000 . 5.000 2.405 2.233 2.559 . 0 0 "[ . 1 . 2 . 3]" 1
568 2 28 GLU HA 2 28 GLU HG2 4.000 . 5.000 4.000 3.243 4.250 . 0 0 "[ . 1 . 2 . 3]" 1
569 2 28 GLU HA 2 31 ASP HA 4.000 . 6.000 5.942 5.482 6.060 0.060 19 0 "[ . 1 . 2 . 3]" 1
570 2 28 GLU HA 2 31 ASP HB2 2.000 . 5.000 3.512 3.033 4.121 . 0 0 "[ . 1 . 2 . 3]" 1
571 2 28 GLU HA 2 31 ASP HB3 2.000 . 5.000 4.669 3.779 5.101 0.101 5 0 "[ . 1 . 2 . 3]" 1
572 2 28 GLU HB2 2 31 ASP H 4.000 . 6.000 5.389 5.136 5.926 . 0 0 "[ . 1 . 2 . 3]" 1
573 2 28 GLU QG 2 29 LEU H 3.000 . 6.000 2.127 1.881 2.895 . 0 0 "[ . 1 . 2 . 3]" 1
574 2 29 LEU H 2 29 LEU HG 3.000 . 5.000 4.188 3.839 4.404 . 0 0 "[ . 1 . 2 . 3]" 1
575 2 29 LEU H 2 30 GLU H 3.000 . 5.000 2.616 2.481 2.726 . 0 0 "[ . 1 . 2 . 3]" 1
576 2 29 LEU HA 2 29 LEU MD1 4.000 . 5.000 3.024 2.735 3.408 . 0 0 "[ . 1 . 2 . 3]" 1
577 2 29 LEU HA 2 29 LEU MD2 4.000 . 5.000 3.512 3.145 3.726 . 0 0 "[ . 1 . 2 . 3]" 1
578 2 29 LEU HA 2 32 TYR QB 2.000 . 5.000 2.477 1.780 3.967 0.010 7 0 "[ . 1 . 2 . 3]" 1
579 2 30 GLU H 2 31 ASP H 3.000 . 5.000 2.501 2.251 2.982 . 0 0 "[ . 1 . 2 . 3]" 1
580 2 30 GLU H 2 32 TYR H 4.000 . 5.000 3.910 3.545 4.757 . 0 0 "[ . 1 . 2 . 3]" 1
581 2 30 GLU HA 2 30 GLU HB2 3.000 . 5.000 2.899 2.758 3.016 . 0 0 "[ . 1 . 2 . 3]" 1
582 2 30 GLU HA 2 30 GLU HB3 3.000 . 5.000 2.783 2.559 2.942 . 0 0 "[ . 1 . 2 . 3]" 1
583 2 30 GLU HA 2 30 GLU HG2 4.000 . 5.000 2.463 2.139 3.406 . 0 0 "[ . 1 . 2 . 3]" 1
584 2 30 GLU HA 2 30 GLU HG3 4.000 . 5.000 3.555 2.983 3.720 . 0 0 "[ . 1 . 2 . 3]" 1
585 2 30 GLU HA 2 33 ILE HB 2.000 . 5.000 3.207 2.394 3.982 . 0 0 "[ . 1 . 2 . 3]" 1
586 2 30 GLU HA 2 33 ILE MD 3.000 . 6.000 2.797 2.025 3.531 . 0 0 "[ . 1 . 2 . 3]" 1
587 2 30 GLU HA 2 33 ILE MG 2.000 . 5.000 4.521 3.654 5.006 0.006 29 0 "[ . 1 . 2 . 3]" 1
588 2 30 GLU QG 2 33 ILE MD 3.000 . 6.000 3.801 2.915 4.725 . 0 0 "[ . 1 . 2 . 3]" 1
589 2 30 GLU QG 2 33 ILE MG 4.000 . 7.000 5.521 4.364 6.294 . 0 0 "[ . 1 . 2 . 3]" 1
590 2 31 ASP H 2 31 ASP HA 3.000 . 5.000 2.857 2.670 2.915 . 0 0 "[ . 1 . 2 . 3]" 1
591 2 31 ASP H 2 32 TYR H 3.000 . 5.000 2.467 2.168 3.053 . 0 0 "[ . 1 . 2 . 3]" 1
592 2 31 ASP H 2 34 ASP H 4.000 . 5.000 4.657 4.393 4.962 . 0 0 "[ . 1 . 2 . 3]" 1
593 2 31 ASP HA 2 32 TYR H 3.000 . 5.000 3.485 3.416 3.611 . 0 0 "[ . 1 . 2 . 3]" 1
594 2 31 ASP HA 2 32 TYR QD 4.000 . 7.000 5.895 4.892 6.560 . 0 0 "[ . 1 . 2 . 3]" 1
595 2 31 ASP HA 2 34 ASP H 4.000 . 5.000 3.297 3.091 3.709 . 0 0 "[ . 1 . 2 . 3]" 1
596 2 31 ASP HA 2 34 ASP HB2 3.000 . 5.000 2.254 1.895 3.023 . 0 0 "[ . 1 . 2 . 3]" 1
597 2 31 ASP HA 2 34 ASP HB3 3.000 . 5.000 3.574 2.810 4.288 . 0 0 "[ . 1 . 2 . 3]" 1
598 2 31 ASP QB 2 34 ASP H 3.000 . 6.000 4.758 4.538 4.990 . 0 0 "[ . 1 . 2 . 3]" 1
599 2 31 ASP QB 2 34 ASP QB 3.000 . 6.000 4.040 3.608 4.608 . 0 0 "[ . 1 . 2 . 3]" 1
600 2 32 TYR H 2 32 TYR QD 4.000 . 7.000 3.183 2.108 4.191 . 0 0 "[ . 1 . 2 . 3]" 1
601 2 32 TYR H 2 32 TYR QE 4.000 . 6.500 4.986 4.077 6.237 . 0 0 "[ . 1 . 2 . 3]" 1
602 2 34 ASP H 2 34 ASP HB2 3.000 . 5.000 2.139 2.059 2.331 . 0 0 "[ . 1 . 2 . 3]" 1
603 2 34 ASP H 2 35 ASN H 2.000 . 5.000 2.731 2.410 3.059 . 0 0 "[ . 1 . 2 . 3]" 1
604 2 34 ASP HA 2 34 ASP HB2 3.000 . 5.000 2.850 2.591 3.015 . 0 0 "[ . 1 . 2 . 3]" 1
605 2 34 ASP HA 2 35 ASN H 3.000 . 5.000 3.508 3.425 3.542 . 0 0 "[ . 1 . 2 . 3]" 1
606 2 35 ASN H 2 35 ASN HA 3.000 . 5.000 2.698 2.648 2.778 . 0 0 "[ . 1 . 2 . 3]" 1
607 2 35 ASN H 2 35 ASN HB3 3.000 . 5.000 3.569 3.207 3.628 . 0 0 "[ . 1 . 2 . 3]" 1
608 2 35 ASN HA 2 35 ASN HB2 3.000 . 5.000 2.979 2.746 3.031 . 0 0 "[ . 1 . 2 . 3]" 1
609 2 35 ASN HA 2 35 ASN HB3 3.000 . 5.000 2.643 2.492 2.938 . 0 0 "[ . 1 . 2 . 3]" 1
610 2 38 VAL H 2 39 ARG H 3.000 . 5.000 4.424 3.461 4.766 . 0 0 "[ . 1 . 2 . 3]" 1
611 2 38 VAL HA 2 39 ARG H 4.000 . 5.000 2.275 2.040 2.683 . 0 0 "[ . 1 . 2 . 3]" 1
612 2 38 VAL HB 2 39 ARG H 4.000 . 5.000 3.968 3.264 4.530 . 0 0 "[ . 1 . 2 . 3]" 1
613 2 39 ARG HA 2 39 ARG HB2 3.000 . 5.000 2.873 2.372 3.022 . 0 0 "[ . 1 . 2 . 3]" 1
614 2 39 ARG HA 2 39 ARG HB3 3.000 . 5.000 2.701 2.226 3.024 . 0 0 "[ . 1 . 2 . 3]" 1
615 2 39 ARG HA 2 39 ARG QD 4.000 . 5.000 3.771 1.967 4.330 . 0 0 "[ . 1 . 2 . 3]" 1
616 2 39 ARG HA 2 39 ARG HG2 4.000 . 5.000 2.762 2.344 4.037 . 0 0 "[ . 1 . 2 . 3]" 1
617 2 39 ARG HA 2 39 ARG HG3 4.000 . 5.000 2.817 2.112 3.585 . 0 0 "[ . 1 . 2 . 3]" 1
618 2 39 ARG HA 2 40 VAL H 3.000 . 5.000 2.305 2.181 2.553 . 0 0 "[ . 1 . 2 . 3]" 1
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