NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
392094 |
1prv   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1prv
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 405
_Distance_constraint_stats_list.Viol_count 384
_Distance_constraint_stats_list.Viol_total 409.554
_Distance_constraint_stats_list.Viol_max 0.619
_Distance_constraint_stats_list.Viol_rms 0.0178
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0025
_Distance_constraint_stats_list.Viol_average_violations_only 0.0533
_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 3 THR 2.614 0.232 12 0 "[ . 1 . 2]"
1 4 ILE 1.461 0.232 12 0 "[ . 1 . 2]"
1 5 LYS 0.799 0.223 13 0 "[ . 1 . 2]"
1 6 ASP 1.349 0.204 20 0 "[ . 1 . 2]"
1 7 VAL 0.860 0.299 10 0 "[ . 1 . 2]"
1 8 ALA 1.108 0.299 10 0 "[ . 1 . 2]"
1 9 LYS 0.466 0.088 17 0 "[ . 1 . 2]"
1 10 ARG 0.411 0.205 2 0 "[ . 1 . 2]"
1 11 ALA 0.633 0.205 2 0 "[ . 1 . 2]"
1 12 ASN 0.960 0.173 13 0 "[ . 1 . 2]"
1 13 VAL 1.106 0.173 13 0 "[ . 1 . 2]"
1 14 SER 0.839 0.619 17 1 "[ . 1 . + 2]"
1 15 THR 1.007 0.619 17 1 "[ . 1 . + 2]"
1 16 THR 0.448 0.115 17 0 "[ . 1 . 2]"
1 17 THR 0.640 0.056 7 0 "[ . 1 . 2]"
1 18 VAL 0.114 0.042 7 0 "[ . 1 . 2]"
1 19 SER 0.461 0.090 2 0 "[ . 1 . 2]"
1 20 HIS 1.484 0.090 2 0 "[ . 1 . 2]"
1 21 VAL 1.336 0.194 19 0 "[ . 1 . 2]"
1 22 ILE 0.562 0.123 19 0 "[ . 1 . 2]"
1 23 ASN 0.378 0.086 18 0 "[ . 1 . 2]"
1 24 LYS 0.614 0.194 19 0 "[ . 1 . 2]"
1 25 THR 0.604 0.073 2 0 "[ . 1 . 2]"
1 26 ARG 0.072 0.063 19 0 "[ . 1 . 2]"
1 27 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 VAL 1.333 0.187 7 0 "[ . 1 . 2]"
1 29 ALA 0.329 0.154 18 0 "[ . 1 . 2]"
1 30 GLU 1.145 0.213 8 0 "[ . 1 . 2]"
1 31 GLU 1.635 0.213 8 0 "[ . 1 . 2]"
1 32 THR 1.901 0.187 7 0 "[ . 1 . 2]"
1 33 ARG 0.190 0.061 9 0 "[ . 1 . 2]"
1 34 ASN 0.430 0.073 19 0 "[ . 1 . 2]"
1 35 ALA 0.093 0.027 20 0 "[ . 1 . 2]"
1 36 VAL 0.047 0.036 19 0 "[ . 1 . 2]"
1 37 TRP 0.076 0.020 7 0 "[ . 1 . 2]"
1 38 ALA 0.093 0.044 20 0 "[ . 1 . 2]"
1 39 ALA 0.081 0.049 5 0 "[ . 1 . 2]"
1 40 ILE 0.229 0.062 6 0 "[ . 1 . 2]"
1 41 LYS 1.583 0.105 13 0 "[ . 1 . 2]"
1 42 GLU 1.254 0.105 13 0 "[ . 1 . 2]"
1 43 LEU 1.645 0.351 2 0 "[ . 1 . 2]"
1 44 HIS 4.147 0.351 2 0 "[ . 1 . 2]"
1 45 TYR 3.473 0.290 5 0 "[ . 1 . 2]"
1 46 SER 0.277 0.140 16 0 "[ . 1 . 2]"
1 47 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 ALA 0.094 0.047 16 0 "[ . 1 . 2]"
1 52 ARG 0.334 0.083 1 0 "[ . 1 . 2]"
1 53 SER 0.240 0.083 1 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 THR H 1 6 ASP H . . 4.000 3.777 2.956 4.204 0.204 20 0 "[ . 1 . 2]" 1
2 1 3 THR H 1 45 TYR HA . . 5.000 4.923 4.434 5.111 0.111 3 0 "[ . 1 . 2]" 1
3 1 3 THR HA 1 4 ILE H . . 5.000 3.016 2.147 3.638 . 0 0 "[ . 1 . 2]" 1
4 1 3 THR HB 1 4 ILE H . . 4.000 2.966 1.997 4.232 0.232 12 0 "[ . 1 . 2]" 1
5 1 3 THR HB 1 4 ILE HB . . 5.000 4.571 3.661 5.131 0.131 8 0 "[ . 1 . 2]" 1
6 1 3 THR HB 1 45 TYR QD . . 7.000 4.306 2.218 6.090 . 0 0 "[ . 1 . 2]" 1
7 1 3 THR HB 1 45 TYR QE . . 7.000 4.668 2.369 6.282 . 0 0 "[ . 1 . 2]" 1
8 1 3 THR MG 1 4 ILE H . . 5.500 3.211 1.776 4.334 . 0 0 "[ . 1 . 2]" 1
9 1 3 THR MG 1 45 TYR QE . . 8.500 4.370 2.111 5.732 . 0 0 "[ . 1 . 2]" 1
10 1 4 ILE H 1 5 LYS H . . 3.000 2.520 1.661 3.223 0.223 13 0 "[ . 1 . 2]" 1
11 1 4 ILE H 1 5 LYS QB . . 6.000 4.341 3.374 4.938 . 0 0 "[ . 1 . 2]" 1
12 1 4 ILE H 1 6 ASP H . . 5.000 4.351 3.053 4.955 . 0 0 "[ . 1 . 2]" 1
13 1 4 ILE H 1 7 VAL MG2 . . 7.500 4.197 2.012 5.770 . 0 0 "[ . 1 . 2]" 1
14 1 4 ILE HA 1 5 LYS H . . 5.000 3.506 2.994 3.595 . 0 0 "[ . 1 . 2]" 1
15 1 4 ILE HA 1 6 ASP H . . 5.000 4.872 4.226 5.047 0.047 10 0 "[ . 1 . 2]" 1
16 1 4 ILE HA 1 7 VAL H . . 5.000 3.798 3.398 4.171 . 0 0 "[ . 1 . 2]" 1
17 1 4 ILE HA 1 7 VAL HB . . 5.000 2.815 2.078 4.779 . 0 0 "[ . 1 . 2]" 1
18 1 4 ILE HA 1 7 VAL MG1 . . 6.500 3.827 3.304 5.418 . 0 0 "[ . 1 . 2]" 1
19 1 4 ILE HA 1 7 VAL MG2 . . 5.500 3.340 1.919 4.524 . 0 0 "[ . 1 . 2]" 1
20 1 4 ILE HA 1 8 ALA H . . 5.000 3.759 3.072 4.309 . 0 0 "[ . 1 . 2]" 1
21 1 4 ILE HA 1 45 TYR QD . . 7.000 3.641 2.419 5.173 . 0 0 "[ . 1 . 2]" 1
22 1 4 ILE HA 1 45 TYR QE . . 7.000 3.573 2.214 4.963 . 0 0 "[ . 1 . 2]" 1
23 1 4 ILE HB 1 5 LYS H . . 4.000 3.748 2.836 4.068 0.068 4 0 "[ . 1 . 2]" 1
24 1 4 ILE MD 1 15 THR HB . . 5.500 4.021 2.507 4.941 . 0 0 "[ . 1 . 2]" 1
25 1 4 ILE MD 1 45 TYR QD . . 8.500 4.776 2.883 6.532 . 0 0 "[ . 1 . 2]" 1
26 1 4 ILE MD 1 45 TYR QE . . 7.500 3.804 2.423 5.979 . 0 0 "[ . 1 . 2]" 1
27 1 4 ILE QG 1 15 THR HB . . 6.000 4.682 3.018 5.370 . 0 0 "[ . 1 . 2]" 1
28 1 4 ILE QG 1 45 TYR QD . . 7.000 4.245 2.609 5.564 . 0 0 "[ . 1 . 2]" 1
29 1 4 ILE QG 1 45 TYR QE . . 8.000 3.555 2.171 5.096 . 0 0 "[ . 1 . 2]" 1
30 1 4 ILE MG 1 15 THR HB . . 6.500 4.349 2.249 5.425 . 0 0 "[ . 1 . 2]" 1
31 1 4 ILE MG 1 45 TYR QD . . 8.500 4.445 3.048 6.279 . 0 0 "[ . 1 . 2]" 1
32 1 4 ILE MG 1 45 TYR QE . . 8.500 3.581 2.242 5.007 . 0 0 "[ . 1 . 2]" 1
33 1 5 LYS H 1 7 VAL MG2 . . 7.500 4.917 3.581 6.248 . 0 0 "[ . 1 . 2]" 1
34 1 5 LYS HA 1 6 ASP H . . 4.000 3.603 3.568 3.662 . 0 0 "[ . 1 . 2]" 1
35 1 5 LYS HA 1 7 VAL H . . 5.000 4.834 4.546 5.041 0.041 14 0 "[ . 1 . 2]" 1
36 1 5 LYS HA 1 8 ALA MB . . 5.500 3.173 2.310 3.856 . 0 0 "[ . 1 . 2]" 1
37 1 5 LYS HA 1 9 LYS H . . 5.000 4.507 3.881 5.053 0.053 19 0 "[ . 1 . 2]" 1
38 1 5 LYS QB 1 6 ASP H . . 3.000 2.185 1.899 2.674 . 0 0 "[ . 1 . 2]" 1
39 1 5 LYS QG 1 45 TYR QD . . 8.000 6.307 5.934 6.380 . 0 0 "[ . 1 . 2]" 1
40 1 5 LYS QG 1 45 TYR QE . . 8.000 5.653 4.461 6.361 . 0 0 "[ . 1 . 2]" 1
41 1 6 ASP H 1 7 VAL H . . 4.000 2.772 2.320 3.113 . 0 0 "[ . 1 . 2]" 1
42 1 6 ASP H 1 7 VAL MG2 . . 6.500 4.210 3.653 4.635 . 0 0 "[ . 1 . 2]" 1
43 1 6 ASP HA 1 7 VAL H . . 5.000 3.597 3.554 3.624 . 0 0 "[ . 1 . 2]" 1
44 1 6 ASP HA 1 8 ALA H . . 5.000 4.524 4.116 4.831 . 0 0 "[ . 1 . 2]" 1
45 1 6 ASP HA 1 9 LYS H . . 4.000 3.685 3.154 4.056 0.056 14 0 "[ . 1 . 2]" 1
46 1 6 ASP HA 1 9 LYS QB . . 5.000 3.113 2.253 4.166 . 0 0 "[ . 1 . 2]" 1
47 1 6 ASP HA 1 10 ARG H . . 5.000 4.073 3.692 4.720 . 0 0 "[ . 1 . 2]" 1
48 1 6 ASP HB2 1 7 VAL H . . 3.000 2.523 2.076 2.964 . 0 0 "[ . 1 . 2]" 1
49 1 6 ASP HB3 1 7 VAL H . . 5.000 3.589 3.194 3.978 . 0 0 "[ . 1 . 2]" 1
50 1 7 VAL H 1 8 ALA H . . 3.000 2.834 2.602 3.100 0.100 2 0 "[ . 1 . 2]" 1
51 1 7 VAL H 1 9 LYS H . . 5.000 4.486 4.161 5.006 0.006 14 0 "[ . 1 . 2]" 1
52 1 7 VAL H 1 43 LEU QD . . 8.900 4.668 2.921 6.448 . 0 0 "[ . 1 . 2]" 1
53 1 7 VAL HA 1 8 ALA H . . 4.000 3.599 3.550 3.625 . 0 0 "[ . 1 . 2]" 1
54 1 7 VAL HA 1 9 LYS H . . 5.000 4.695 4.286 5.027 0.027 13 0 "[ . 1 . 2]" 1
55 1 7 VAL HA 1 10 ARG H . . 5.000 3.573 3.124 3.984 . 0 0 "[ . 1 . 2]" 1
56 1 7 VAL HA 1 10 ARG QB . . 5.000 2.578 2.112 3.245 . 0 0 "[ . 1 . 2]" 1
57 1 7 VAL HA 1 11 ALA H . . 5.000 4.040 3.260 5.011 0.011 17 0 "[ . 1 . 2]" 1
58 1 7 VAL HB 1 8 ALA H . . 3.000 2.701 2.389 3.299 0.299 10 0 "[ . 1 . 2]" 1
59 1 7 VAL QG 1 43 LEU H . . 8.900 4.272 3.406 5.617 . 0 0 "[ . 1 . 2]" 1
60 1 7 VAL MG1 1 8 ALA H . . 5.500 3.328 2.812 3.860 . 0 0 "[ . 1 . 2]" 1
61 1 7 VAL MG1 1 10 ARG H . . 6.500 4.785 4.320 5.415 . 0 0 "[ . 1 . 2]" 1
62 1 7 VAL MG1 1 40 ILE H . . 6.500 3.736 2.910 4.784 . 0 0 "[ . 1 . 2]" 1
63 1 7 VAL MG1 1 45 TYR QD . . 8.500 4.654 2.496 5.767 . 0 0 "[ . 1 . 2]" 1
64 1 7 VAL MG1 1 45 TYR QE . . 8.500 5.154 2.360 6.314 . 0 0 "[ . 1 . 2]" 1
65 1 7 VAL MG2 1 8 ALA H . . 6.500 3.730 1.765 4.113 . 0 0 "[ . 1 . 2]" 1
66 1 7 VAL MG2 1 40 ILE H . . 7.500 4.646 3.147 6.157 . 0 0 "[ . 1 . 2]" 1
67 1 7 VAL MG2 1 45 TYR QD . . 7.500 3.502 2.058 5.566 . 0 0 "[ . 1 . 2]" 1
68 1 8 ALA H 1 9 LYS H . . 4.000 2.854 2.631 3.099 . 0 0 "[ . 1 . 2]" 1
69 1 8 ALA H 1 15 THR HA . . 6.000 5.062 4.491 5.867 . 0 0 "[ . 1 . 2]" 1
70 1 8 ALA HA 1 9 LYS H . . 4.000 3.610 3.587 3.634 . 0 0 "[ . 1 . 2]" 1
71 1 8 ALA HA 1 11 ALA H . . 4.000 3.636 3.123 4.099 0.099 14 0 "[ . 1 . 2]" 1
72 1 8 ALA HA 1 11 ALA MB . . 5.500 2.950 2.275 4.064 . 0 0 "[ . 1 . 2]" 1
73 1 8 ALA HA 1 12 ASN H . . 5.000 4.389 3.446 5.044 0.044 3 0 "[ . 1 . 2]" 1
74 1 8 ALA MB 1 9 LYS H . . 6.500 2.386 2.151 2.628 . 0 0 "[ . 1 . 2]" 1
75 1 9 LYS H 1 10 ARG H . . 4.000 2.650 2.424 2.881 . 0 0 "[ . 1 . 2]" 1
76 1 9 LYS HA 1 10 ARG H . . 4.000 3.578 3.507 3.606 . 0 0 "[ . 1 . 2]" 1
77 1 9 LYS HA 1 11 ALA H . . 5.000 4.312 4.074 4.780 . 0 0 "[ . 1 . 2]" 1
78 1 9 LYS HA 1 12 ASN H . . 5.000 3.421 2.611 4.170 . 0 0 "[ . 1 . 2]" 1
79 1 9 LYS HA 1 12 ASN QB . . 6.000 5.156 4.158 5.406 . 0 0 "[ . 1 . 2]" 1
80 1 9 LYS HA 1 13 VAL H . . 5.000 4.215 2.433 5.088 0.088 17 0 "[ . 1 . 2]" 1
81 1 9 LYS HB3 1 10 ARG H . . 4.000 3.575 2.429 4.064 0.064 17 0 "[ . 1 . 2]" 1
82 1 9 LYS QG 1 14 SER H . . 7.000 5.558 4.412 6.260 . 0 0 "[ . 1 . 2]" 1
83 1 9 LYS QG 1 15 THR H . . 6.000 5.041 3.443 5.402 . 0 0 "[ . 1 . 2]" 1
84 1 10 ARG H 1 11 ALA H . . 3.000 2.654 2.471 2.826 . 0 0 "[ . 1 . 2]" 1
85 1 10 ARG H 1 12 ASN H . . 5.000 4.099 3.454 4.565 . 0 0 "[ . 1 . 2]" 1
86 1 10 ARG HA 1 11 ALA H . . 4.000 3.582 3.558 3.608 . 0 0 "[ . 1 . 2]" 1
87 1 10 ARG QB 1 12 ASN H . . 6.000 4.682 4.117 5.150 . 0 0 "[ . 1 . 2]" 1
88 1 10 ARG HB3 1 11 ALA H . . 3.000 2.741 2.457 3.205 0.205 2 0 "[ . 1 . 2]" 1
89 1 11 ALA H 1 12 ASN H . . 5.000 2.645 2.338 2.840 . 0 0 "[ . 1 . 2]" 1
90 1 11 ALA HA 1 12 ASN H . . 4.000 3.469 3.180 3.654 . 0 0 "[ . 1 . 2]" 1
91 1 11 ALA MB 1 12 ASN H . . 6.500 2.822 2.153 3.526 . 0 0 "[ . 1 . 2]" 1
92 1 11 ALA MB 1 36 VAL H . . 6.500 4.539 3.323 5.436 . 0 0 "[ . 1 . 2]" 1
93 1 12 ASN H 1 13 VAL H . . 4.000 3.551 2.613 4.173 0.173 13 0 "[ . 1 . 2]" 1
94 1 12 ASN H 1 13 VAL QG . . 8.900 4.448 3.341 5.148 . 0 0 "[ . 1 . 2]" 1
95 1 12 ASN HA 1 13 VAL H . . 4.000 2.889 2.135 3.609 . 0 0 "[ . 1 . 2]" 1
96 1 12 ASN HB2 1 13 VAL H . . 5.000 3.633 2.011 4.687 . 0 0 "[ . 1 . 2]" 1
97 1 12 ASN HB3 1 13 VAL H . . 5.000 3.191 1.894 4.446 . 0 0 "[ . 1 . 2]" 1
98 1 12 ASN QD 1 14 SER H . . 7.000 5.440 2.953 6.262 . 0 0 "[ . 1 . 2]" 1
99 1 13 VAL HB 1 14 SER H . . 3.000 2.220 1.848 2.994 . 0 0 "[ . 1 . 2]" 1
100 1 13 VAL HB 1 17 THR H . . 5.000 4.293 2.977 5.047 0.047 12 0 "[ . 1 . 2]" 1
101 1 13 VAL MG1 1 14 SER H . . 5.500 3.039 1.946 3.835 . 0 0 "[ . 1 . 2]" 1
102 1 13 VAL MG2 1 14 SER H . . 5.500 3.399 1.860 4.048 . 0 0 "[ . 1 . 2]" 1
103 1 14 SER H 1 17 THR H . . 4.000 3.450 2.812 4.027 0.027 11 0 "[ . 1 . 2]" 1
104 1 14 SER H 1 17 THR HB . . 4.000 3.748 3.034 4.055 0.055 3 0 "[ . 1 . 2]" 1
105 1 14 SER HA 1 15 THR H . . 5.000 2.639 2.269 3.567 . 0 0 "[ . 1 . 2]" 1
106 1 14 SER QB 1 16 THR H . . 5.000 2.780 2.408 3.744 . 0 0 "[ . 1 . 2]" 1
107 1 14 SER HB2 1 15 THR H . . 4.000 3.339 2.036 4.619 0.619 17 1 "[ . 1 . + 2]" 1
108 1 14 SER HB3 1 15 THR H . . 5.000 2.849 1.915 4.122 . 0 0 "[ . 1 . 2]" 1
109 1 15 THR HA 1 16 THR H . . 5.000 3.521 3.347 3.609 . 0 0 "[ . 1 . 2]" 1
110 1 15 THR HA 1 17 THR H . . 5.000 4.261 3.842 4.640 . 0 0 "[ . 1 . 2]" 1
111 1 15 THR HA 1 18 VAL H . . 4.000 3.224 2.811 3.938 . 0 0 "[ . 1 . 2]" 1
112 1 15 THR HA 1 18 VAL HB . . 5.000 2.817 2.365 4.008 . 0 0 "[ . 1 . 2]" 1
113 1 15 THR HA 1 18 VAL MG1 . . 6.500 4.183 3.737 5.108 . 0 0 "[ . 1 . 2]" 1
114 1 15 THR HA 1 18 VAL MG2 . . 4.500 2.773 2.313 3.206 . 0 0 "[ . 1 . 2]" 1
115 1 15 THR HA 1 19 SER H . . 5.000 4.198 3.898 5.008 0.008 17 0 "[ . 1 . 2]" 1
116 1 15 THR HB 1 16 THR H . . 4.000 3.795 2.767 4.115 0.115 17 0 "[ . 1 . 2]" 1
117 1 16 THR H 1 17 THR H . . 3.000 2.828 2.357 2.962 . 0 0 "[ . 1 . 2]" 1
118 1 16 THR HA 1 17 THR H . . 4.000 3.607 3.586 3.631 . 0 0 "[ . 1 . 2]" 1
119 1 16 THR HA 1 18 VAL H . . 5.000 4.373 4.015 4.778 . 0 0 "[ . 1 . 2]" 1
120 1 16 THR HA 1 19 SER H . . 4.000 3.447 3.099 3.678 . 0 0 "[ . 1 . 2]" 1
121 1 16 THR HA 1 19 SER QB . . 6.000 2.917 2.364 3.820 . 0 0 "[ . 1 . 2]" 1
122 1 16 THR HA 1 20 HIS H . . 5.000 4.256 3.939 4.942 . 0 0 "[ . 1 . 2]" 1
123 1 16 THR HA 1 20 HIS HD2 . . 5.000 4.541 3.878 5.022 0.022 7 0 "[ . 1 . 2]" 1
124 1 16 THR HB 1 17 THR H . . 4.000 3.320 2.323 3.994 . 0 0 "[ . 1 . 2]" 1
125 1 16 THR HB 1 20 HIS HD2 . . 6.000 5.111 3.784 6.018 0.018 8 0 "[ . 1 . 2]" 1
126 1 16 THR MG 1 20 HIS HD2 . . 6.500 4.523 2.523 5.416 . 0 0 "[ . 1 . 2]" 1
127 1 17 THR H 1 18 VAL H . . 4.000 2.723 2.601 2.919 . 0 0 "[ . 1 . 2]" 1
128 1 17 THR HA 1 18 VAL H . . 4.000 3.583 3.510 3.619 . 0 0 "[ . 1 . 2]" 1
129 1 17 THR HA 1 20 HIS H . . 4.000 3.528 3.278 4.042 0.042 7 0 "[ . 1 . 2]" 1
130 1 17 THR HA 1 20 HIS QB . . 6.000 2.990 2.441 3.936 . 0 0 "[ . 1 . 2]" 1
131 1 17 THR HA 1 20 HIS HD2 . . 5.000 4.133 2.101 5.031 0.031 8 0 "[ . 1 . 2]" 1
132 1 17 THR HA 1 21 VAL H . . 5.000 4.645 3.871 5.056 0.056 7 0 "[ . 1 . 2]" 1
133 1 17 THR HB 1 18 VAL H . . 5.000 2.946 2.452 3.954 . 0 0 "[ . 1 . 2]" 1
134 1 18 VAL H 1 19 SER H . . 4.000 2.615 2.267 2.835 . 0 0 "[ . 1 . 2]" 1
135 1 18 VAL H 1 20 HIS H . . 5.000 4.114 3.845 4.407 . 0 0 "[ . 1 . 2]" 1
136 1 18 VAL HA 1 19 SER H . . 4.000 3.594 3.549 3.635 . 0 0 "[ . 1 . 2]" 1
137 1 18 VAL HA 1 21 VAL H . . 4.000 3.461 3.218 3.702 . 0 0 "[ . 1 . 2]" 1
138 1 18 VAL HA 1 21 VAL HB . . 4.000 3.113 2.399 3.840 . 0 0 "[ . 1 . 2]" 1
139 1 18 VAL HA 1 22 ILE H . . 5.000 4.453 3.929 5.042 0.042 7 0 "[ . 1 . 2]" 1
140 1 18 VAL HB 1 19 SER H . . 3.000 2.655 2.317 3.019 0.019 2 0 "[ . 1 . 2]" 1
141 1 19 SER H 1 20 HIS H . . 3.000 2.725 2.465 2.841 . 0 0 "[ . 1 . 2]" 1
142 1 19 SER H 1 20 HIS HD2 . . 5.000 4.887 4.403 5.090 0.090 2 0 "[ . 1 . 2]" 1
143 1 19 SER H 1 21 VAL H . . 5.000 4.229 3.881 4.842 . 0 0 "[ . 1 . 2]" 1
144 1 19 SER HA 1 20 HIS H . . 4.000 3.592 3.540 3.619 . 0 0 "[ . 1 . 2]" 1
145 1 19 SER HA 1 21 VAL H . . 5.000 4.275 3.923 4.866 . 0 0 "[ . 1 . 2]" 1
146 1 19 SER HA 1 22 ILE H . . 4.000 3.423 3.059 3.692 . 0 0 "[ . 1 . 2]" 1
147 1 19 SER HA 1 22 ILE HB . . 4.000 2.916 2.406 3.815 . 0 0 "[ . 1 . 2]" 1
148 1 19 SER HA 1 23 ASN H . . 5.000 3.995 3.139 5.081 0.081 2 0 "[ . 1 . 2]" 1
149 1 19 SER HA 1 23 ASN QD . . 7.000 4.630 2.612 6.155 . 0 0 "[ . 1 . 2]" 1
150 1 19 SER QB 1 20 HIS H . . 4.000 2.756 2.373 3.540 . 0 0 "[ . 1 . 2]" 1
151 1 19 SER QB 1 23 ASN QD . . 6.000 3.989 2.677 4.787 . 0 0 "[ . 1 . 2]" 1
152 1 20 HIS H 1 21 VAL H . . 5.000 2.755 2.644 2.978 . 0 0 "[ . 1 . 2]" 1
153 1 20 HIS HB2 1 21 VAL H . . 3.000 2.665 2.167 2.954 . 0 0 "[ . 1 . 2]" 1
154 1 20 HIS HB3 1 21 VAL H . . 5.000 3.663 3.049 3.964 . 0 0 "[ . 1 . 2]" 1
155 1 20 HIS HD2 1 21 VAL H . . 5.000 4.995 4.624 5.060 0.060 19 0 "[ . 1 . 2]" 1
156 1 20 HIS HD2 1 25 THR HB . . 6.000 5.191 2.259 6.073 0.073 2 0 "[ . 1 . 2]" 1
157 1 20 HIS HD2 1 26 ARG QB . . 7.000 4.779 2.646 6.253 . 0 0 "[ . 1 . 2]" 1
158 1 20 HIS HD2 1 28 VAL QG . . 8.900 6.062 3.802 6.616 . 0 0 "[ . 1 . 2]" 1
159 1 21 VAL H 1 23 ASN H . . 5.000 4.343 4.057 4.780 . 0 0 "[ . 1 . 2]" 1
160 1 21 VAL H 1 36 VAL MG1 . . 6.500 4.659 4.063 5.251 . 0 0 "[ . 1 . 2]" 1
161 1 21 VAL H 1 36 VAL MG2 . . 6.500 4.807 3.834 5.420 . 0 0 "[ . 1 . 2]" 1
162 1 21 VAL HA 1 22 ILE H . . 4.000 3.602 3.535 3.633 . 0 0 "[ . 1 . 2]" 1
163 1 21 VAL HA 1 23 ASN H . . 5.000 4.733 4.329 5.010 0.010 15 0 "[ . 1 . 2]" 1
164 1 21 VAL HA 1 24 LYS H . . 4.000 3.628 3.262 4.194 0.194 19 0 "[ . 1 . 2]" 1
165 1 21 VAL HA 1 25 THR H . . 5.000 4.518 3.546 5.052 0.052 1 0 "[ . 1 . 2]" 1
166 1 21 VAL HA 1 37 TRP HE1 . . 6.000 5.335 4.292 6.005 0.005 1 0 "[ . 1 . 2]" 1
167 1 21 VAL HB 1 22 ILE H . . 3.000 2.619 2.308 3.011 0.011 19 0 "[ . 1 . 2]" 1
168 1 21 VAL HB 1 23 ASN H . . 6.000 5.207 4.825 5.695 . 0 0 "[ . 1 . 2]" 1
169 1 21 VAL HB 1 37 TRP HE1 . . 6.000 5.375 4.243 5.976 . 0 0 "[ . 1 . 2]" 1
170 1 21 VAL MG1 1 23 ASN H . . 6.500 5.139 4.868 5.432 . 0 0 "[ . 1 . 2]" 1
171 1 21 VAL MG1 1 33 ARG H . . 7.500 4.918 4.098 5.949 . 0 0 "[ . 1 . 2]" 1
172 1 21 VAL MG1 1 36 VAL H . . 6.500 4.753 4.096 5.431 . 0 0 "[ . 1 . 2]" 1
173 1 21 VAL MG1 1 37 TRP H . . 6.500 3.965 3.332 4.624 . 0 0 "[ . 1 . 2]" 1
174 1 21 VAL MG1 1 37 TRP HD1 . . 5.500 3.812 3.034 4.432 . 0 0 "[ . 1 . 2]" 1
175 1 21 VAL MG1 1 37 TRP HE1 . . 4.500 2.631 1.999 3.125 . 0 0 "[ . 1 . 2]" 1
176 1 21 VAL MG1 1 37 TRP HH2 . . 6.500 3.901 3.553 4.622 . 0 0 "[ . 1 . 2]" 1
177 1 21 VAL MG1 1 37 TRP HZ2 . . 5.500 2.619 2.290 2.839 . 0 0 "[ . 1 . 2]" 1
178 1 21 VAL MG2 1 33 ARG H . . 6.500 4.238 3.252 5.416 . 0 0 "[ . 1 . 2]" 1
179 1 21 VAL MG2 1 36 VAL H . . 6.500 4.463 3.629 5.343 . 0 0 "[ . 1 . 2]" 1
180 1 21 VAL MG2 1 37 TRP H . . 7.500 4.868 3.949 5.776 . 0 0 "[ . 1 . 2]" 1
181 1 21 VAL MG2 1 37 TRP HE1 . . 6.500 4.731 4.174 5.415 . 0 0 "[ . 1 . 2]" 1
182 1 21 VAL MG2 1 37 TRP HH2 . . 7.500 6.250 6.211 6.261 . 0 0 "[ . 1 . 2]" 1
183 1 22 ILE H 1 23 ASN H . . 3.000 2.795 2.559 3.086 0.086 18 0 "[ . 1 . 2]" 1
184 1 22 ILE HA 1 23 ASN H . . 4.000 3.612 3.573 3.661 . 0 0 "[ . 1 . 2]" 1
185 1 22 ILE HA 1 24 LYS H . . 5.000 4.247 3.674 5.123 0.123 19 0 "[ . 1 . 2]" 1
186 1 22 ILE HA 1 37 TRP HE1 . . 6.000 5.635 5.056 6.013 0.013 7 0 "[ . 1 . 2]" 1
187 1 22 ILE HA 1 37 TRP HH2 . . 5.000 2.901 2.176 5.004 0.004 3 0 "[ . 1 . 2]" 1
188 1 22 ILE HA 1 37 TRP HZ2 . . 4.000 3.161 2.813 4.010 0.010 7 0 "[ . 1 . 2]" 1
189 1 22 ILE HB 1 23 ASN H . . 3.000 2.537 2.297 3.059 0.059 7 0 "[ . 1 . 2]" 1
190 1 22 ILE HB 1 23 ASN QD . . 7.000 4.360 2.280 6.245 . 0 0 "[ . 1 . 2]" 1
191 1 22 ILE MD 1 23 ASN H . . 6.500 4.470 4.267 4.875 . 0 0 "[ . 1 . 2]" 1
192 1 22 ILE QG 1 23 ASN H . . 6.000 4.041 3.830 4.264 . 0 0 "[ . 1 . 2]" 1
193 1 22 ILE MG 1 23 ASN H . . 5.500 3.306 2.793 4.072 . 0 0 "[ . 1 . 2]" 1
194 1 22 ILE MG 1 23 ASN QD . . 8.500 4.417 2.138 6.239 . 0 0 "[ . 1 . 2]" 1
195 1 22 ILE MG 1 37 TRP HH2 . . 6.500 3.278 2.712 4.714 . 0 0 "[ . 1 . 2]" 1
196 1 22 ILE MG 1 37 TRP HZ2 . . 5.500 4.583 4.431 4.612 . 0 0 "[ . 1 . 2]" 1
197 1 23 ASN H 1 24 LYS H . . 3.000 2.497 1.991 2.676 . 0 0 "[ . 1 . 2]" 1
198 1 23 ASN H 1 24 LYS HA . . 5.000 4.743 4.485 4.940 . 0 0 "[ . 1 . 2]" 1
199 1 23 ASN H 1 25 THR H . . 5.000 4.275 3.490 5.052 0.052 7 0 "[ . 1 . 2]" 1
200 1 23 ASN H 1 25 THR MG . . 6.500 4.926 4.264 5.455 . 0 0 "[ . 1 . 2]" 1
201 1 23 ASN QB 1 24 LYS H . . 5.000 3.421 2.722 4.118 . 0 0 "[ . 1 . 2]" 1
202 1 23 ASN QD 1 24 LYS H . . 7.000 4.433 2.483 5.353 . 0 0 "[ . 1 . 2]" 1
203 1 23 ASN QD 1 25 THR MG . . 8.500 3.870 1.961 6.308 . 0 0 "[ . 1 . 2]" 1
204 1 24 LYS HA 1 25 THR H . . 4.000 2.754 2.173 3.576 . 0 0 "[ . 1 . 2]" 1
205 1 25 THR H 1 26 ARG H . . 3.000 2.632 2.123 2.938 . 0 0 "[ . 1 . 2]" 1
206 1 25 THR HA 1 26 ARG H . . 4.000 3.568 3.527 3.623 . 0 0 "[ . 1 . 2]" 1
207 1 25 THR HB 1 26 ARG H . . 4.000 3.135 2.137 4.063 0.063 19 0 "[ . 1 . 2]" 1
208 1 26 ARG H 1 27 PHE H . . 5.000 4.162 2.732 4.731 . 0 0 "[ . 1 . 2]" 1
209 1 26 ARG HA 1 27 PHE H . . 3.000 2.356 2.150 2.936 . 0 0 "[ . 1 . 2]" 1
210 1 26 ARG QB 1 27 PHE H . . 5.000 3.441 1.804 4.031 . 0 0 "[ . 1 . 2]" 1
211 1 27 PHE H 1 28 VAL H . . 5.000 4.425 3.895 4.677 . 0 0 "[ . 1 . 2]" 1
212 1 27 PHE H 1 28 VAL QG . . 8.900 4.322 3.468 5.067 . 0 0 "[ . 1 . 2]" 1
213 1 27 PHE HA 1 28 VAL H . . 3.000 2.213 2.132 2.279 . 0 0 "[ . 1 . 2]" 1
214 1 27 PHE HB2 1 28 VAL H . . 5.000 4.067 2.894 4.640 . 0 0 "[ . 1 . 2]" 1
215 1 27 PHE HB3 1 28 VAL H . . 5.000 4.230 3.879 4.550 . 0 0 "[ . 1 . 2]" 1
216 1 27 PHE QD 1 28 VAL HA . . 6.000 4.188 3.255 5.031 . 0 0 "[ . 1 . 2]" 1
217 1 27 PHE QD 1 28 VAL HB . . 7.000 5.893 5.506 6.249 . 0 0 "[ . 1 . 2]" 1
218 1 27 PHE QD 1 29 ALA H . . 7.000 4.549 2.281 5.678 . 0 0 "[ . 1 . 2]" 1
219 1 27 PHE QD 1 29 ALA HA . . 6.000 4.393 2.886 5.361 . 0 0 "[ . 1 . 2]" 1
220 1 27 PHE QE 1 29 ALA H . . 7.000 5.127 3.101 6.242 . 0 0 "[ . 1 . 2]" 1
221 1 27 PHE QE 1 29 ALA HA . . 6.000 4.016 2.257 5.313 . 0 0 "[ . 1 . 2]" 1
222 1 28 VAL H 1 29 ALA H . . 5.000 4.181 2.925 4.655 . 0 0 "[ . 1 . 2]" 1
223 1 28 VAL HA 1 29 ALA H . . 3.000 2.516 2.294 2.870 . 0 0 "[ . 1 . 2]" 1
224 1 28 VAL HB 1 29 ALA H . . 5.000 3.151 1.951 4.529 . 0 0 "[ . 1 . 2]" 1
225 1 28 VAL HB 1 32 THR H . . 4.000 3.983 3.050 4.187 0.187 7 0 "[ . 1 . 2]" 1
226 1 28 VAL QG 1 29 ALA H . . 6.900 3.039 1.806 3.739 . 0 0 "[ . 1 . 2]" 1
227 1 28 VAL QG 1 30 GLU H . . 8.900 4.575 2.066 5.990 . 0 0 "[ . 1 . 2]" 1
228 1 28 VAL QG 1 31 GLU H . . 8.900 5.236 3.440 5.943 . 0 0 "[ . 1 . 2]" 1
229 1 28 VAL QG 1 32 THR H . . 7.900 3.912 2.552 4.584 . 0 0 "[ . 1 . 2]" 1
230 1 29 ALA H 1 30 GLU H . . 5.000 4.099 2.718 4.674 . 0 0 "[ . 1 . 2]" 1
231 1 29 ALA HA 1 30 GLU H . . 3.000 2.636 2.280 3.154 0.154 18 0 "[ . 1 . 2]" 1
232 1 29 ALA HA 1 31 GLU H . . 5.000 4.339 4.015 4.782 . 0 0 "[ . 1 . 2]" 1
233 1 29 ALA MB 1 30 GLU H . . 4.500 2.849 1.839 3.759 . 0 0 "[ . 1 . 2]" 1
234 1 29 ALA MB 1 31 GLU H . . 4.500 2.871 2.373 3.762 . 0 0 "[ . 1 . 2]" 1
235 1 30 GLU H 1 31 GLU H . . 4.000 3.000 1.906 3.996 . 0 0 "[ . 1 . 2]" 1
236 1 30 GLU H 1 32 THR H . . 5.000 4.479 3.758 5.002 0.002 13 0 "[ . 1 . 2]" 1
237 1 30 GLU HA 1 31 GLU H . . 4.000 3.557 3.450 3.620 . 0 0 "[ . 1 . 2]" 1
238 1 30 GLU HA 1 32 THR H . . 5.000 4.505 3.804 4.961 . 0 0 "[ . 1 . 2]" 1
239 1 30 GLU HA 1 33 ARG H . . 4.000 3.550 3.237 3.839 . 0 0 "[ . 1 . 2]" 1
240 1 30 GLU HA 1 33 ARG QB . . 5.000 2.895 2.122 4.285 . 0 0 "[ . 1 . 2]" 1
241 1 30 GLU HA 1 34 ASN H . . 5.000 3.843 3.465 4.245 . 0 0 "[ . 1 . 2]" 1
242 1 30 GLU QB 1 31 GLU H . . 6.000 2.663 2.054 3.031 . 0 0 "[ . 1 . 2]" 1
243 1 30 GLU HB2 1 31 GLU H . . 3.000 2.874 2.180 3.213 0.213 8 0 "[ . 1 . 2]" 1
244 1 30 GLU HB3 1 31 GLU H . . 5.000 3.513 2.090 4.011 . 0 0 "[ . 1 . 2]" 1
245 1 30 GLU QG 1 34 ASN H . . 7.000 5.529 4.587 6.238 . 0 0 "[ . 1 . 2]" 1
246 1 30 GLU QG 1 34 ASN QD . . 8.000 5.401 2.333 6.361 . 0 0 "[ . 1 . 2]" 1
247 1 31 GLU H 1 32 THR H . . 3.000 2.950 2.744 3.164 0.164 12 0 "[ . 1 . 2]" 1
248 1 31 GLU H 1 33 ARG H . . 5.000 4.374 3.969 4.992 . 0 0 "[ . 1 . 2]" 1
249 1 31 GLU H 1 34 ASN H . . 5.000 4.808 4.671 4.977 . 0 0 "[ . 1 . 2]" 1
250 1 31 GLU H 1 34 ASN QB . . 6.000 4.908 4.308 5.368 . 0 0 "[ . 1 . 2]" 1
251 1 31 GLU HA 1 32 THR H . . 4.000 3.614 3.468 3.645 . 0 0 "[ . 1 . 2]" 1
252 1 31 GLU HA 1 34 ASN H . . 4.000 3.810 3.166 4.073 0.073 19 0 "[ . 1 . 2]" 1
253 1 31 GLU HA 1 34 ASN QB . . 5.000 3.078 2.157 4.321 . 0 0 "[ . 1 . 2]" 1
254 1 31 GLU HA 1 35 ALA H . . 5.000 3.949 3.614 4.550 . 0 0 "[ . 1 . 2]" 1
255 1 31 GLU QB 1 32 THR H . . 4.000 2.467 2.130 3.253 . 0 0 "[ . 1 . 2]" 1
256 1 31 GLU QB 1 33 ARG H . . 6.000 4.727 4.346 5.296 . 0 0 "[ . 1 . 2]" 1
257 1 31 GLU QG 1 32 THR H . . 5.000 3.945 3.149 4.477 . 0 0 "[ . 1 . 2]" 1
258 1 32 THR H 1 33 ARG H . . 3.000 2.728 2.336 3.031 0.031 10 0 "[ . 1 . 2]" 1
259 1 32 THR H 1 33 ARG QB . . 6.000 4.588 4.266 5.233 . 0 0 "[ . 1 . 2]" 1
260 1 32 THR H 1 34 ASN H . . 5.000 4.318 3.650 4.637 . 0 0 "[ . 1 . 2]" 1
261 1 32 THR HA 1 33 ARG H . . 4.000 3.598 3.512 3.653 . 0 0 "[ . 1 . 2]" 1
262 1 32 THR HA 1 34 ASN H . . 5.000 4.701 4.459 4.944 . 0 0 "[ . 1 . 2]" 1
263 1 32 THR HA 1 35 ALA H . . 4.000 3.683 3.400 4.020 0.020 9 0 "[ . 1 . 2]" 1
264 1 32 THR HA 1 35 ALA MB . . 5.500 2.704 2.299 3.477 . 0 0 "[ . 1 . 2]" 1
265 1 32 THR HA 1 36 VAL H . . 5.000 4.119 3.732 4.959 . 0 0 "[ . 1 . 2]" 1
266 1 32 THR HB 1 33 ARG H . . 4.000 2.721 2.107 3.627 . 0 0 "[ . 1 . 2]" 1
267 1 32 THR MG 1 33 ARG H . . 5.500 3.761 2.920 4.172 . 0 0 "[ . 1 . 2]" 1
268 1 32 THR MG 1 36 VAL H . . 6.500 4.501 3.814 5.419 . 0 0 "[ . 1 . 2]" 1
269 1 33 ARG H 1 34 ASN H . . 5.000 2.770 2.395 2.982 . 0 0 "[ . 1 . 2]" 1
270 1 33 ARG H 1 34 ASN QB . . 6.000 4.588 4.078 4.881 . 0 0 "[ . 1 . 2]" 1
271 1 33 ARG H 1 35 ALA H . . 5.000 4.207 3.858 4.668 . 0 0 "[ . 1 . 2]" 1
272 1 33 ARG HA 1 34 ASN H . . 4.000 3.605 3.578 3.623 . 0 0 "[ . 1 . 2]" 1
273 1 33 ARG HA 1 35 ALA H . . 5.000 4.592 4.187 4.852 . 0 0 "[ . 1 . 2]" 1
274 1 33 ARG HA 1 36 VAL H . . 4.000 3.652 3.225 4.036 0.036 19 0 "[ . 1 . 2]" 1
275 1 33 ARG HA 1 36 VAL HB . . 4.000 2.920 2.372 3.502 . 0 0 "[ . 1 . 2]" 1
276 1 33 ARG HA 1 37 TRP H . . 5.000 4.154 3.667 4.567 . 0 0 "[ . 1 . 2]" 1
277 1 33 ARG HA 1 37 TRP HD1 . . 5.000 4.318 3.973 4.642 . 0 0 "[ . 1 . 2]" 1
278 1 33 ARG QB 1 34 ASN H . . 6.000 2.585 2.229 3.576 . 0 0 "[ . 1 . 2]" 1
279 1 33 ARG QB 1 37 TRP HD1 . . 6.000 3.688 2.767 4.617 . 0 0 "[ . 1 . 2]" 1
280 1 33 ARG QB 1 37 TRP HE1 . . 6.000 3.778 2.534 5.347 . 0 0 "[ . 1 . 2]" 1
281 1 33 ARG HB2 1 34 ASN H . . 4.000 3.342 2.326 4.014 0.014 4 0 "[ . 1 . 2]" 1
282 1 33 ARG HB3 1 34 ASN H . . 4.000 3.038 2.247 4.061 0.061 9 0 "[ . 1 . 2]" 1
283 1 33 ARG QD 1 37 TRP HE1 . . 6.000 3.698 2.300 5.347 . 0 0 "[ . 1 . 2]" 1
284 1 33 ARG QG 1 37 TRP HD1 . . 6.000 3.589 2.239 5.357 . 0 0 "[ . 1 . 2]" 1
285 1 34 ASN H 1 35 ALA H . . 3.000 2.734 2.611 2.884 . 0 0 "[ . 1 . 2]" 1
286 1 34 ASN HA 1 35 ALA H . . 5.000 3.603 3.579 3.623 . 0 0 "[ . 1 . 2]" 1
287 1 34 ASN HA 1 37 TRP QB . . 6.000 2.931 2.448 3.408 . 0 0 "[ . 1 . 2]" 1
288 1 34 ASN HA 1 37 TRP HD1 . . 5.000 3.040 2.249 4.045 . 0 0 "[ . 1 . 2]" 1
289 1 34 ASN HA 1 38 ALA H . . 5.000 3.927 3.731 4.078 . 0 0 "[ . 1 . 2]" 1
290 1 34 ASN QB 1 35 ALA H . . 4.000 2.692 2.249 3.511 . 0 0 "[ . 1 . 2]" 1
291 1 34 ASN QB 1 37 TRP HD1 . . 7.000 4.855 3.759 5.961 . 0 0 "[ . 1 . 2]" 1
292 1 34 ASN QB 1 38 ALA H . . 7.000 4.868 4.588 5.253 . 0 0 "[ . 1 . 2]" 1
293 1 35 ALA H 1 36 VAL H . . 3.000 2.790 2.670 2.876 . 0 0 "[ . 1 . 2]" 1
294 1 35 ALA HA 1 36 VAL H . . 4.000 3.606 3.589 3.631 . 0 0 "[ . 1 . 2]" 1
295 1 35 ALA HA 1 37 TRP H . . 5.000 4.895 4.602 5.020 0.020 7 0 "[ . 1 . 2]" 1
296 1 35 ALA HA 1 38 ALA MB . . 5.500 2.565 2.417 2.794 . 0 0 "[ . 1 . 2]" 1
297 1 35 ALA HA 1 39 ALA H . . 5.000 3.906 3.672 5.027 0.027 20 0 "[ . 1 . 2]" 1
298 1 35 ALA MB 1 36 VAL H . . 4.500 2.486 2.326 2.585 . 0 0 "[ . 1 . 2]" 1
299 1 36 VAL H 1 37 TRP H . . 3.000 2.858 2.690 2.961 . 0 0 "[ . 1 . 2]" 1
300 1 36 VAL H 1 37 TRP HD1 . . 6.000 5.389 5.142 5.593 . 0 0 "[ . 1 . 2]" 1
301 1 36 VAL HA 1 37 TRP H . . 5.000 3.631 3.618 3.640 . 0 0 "[ . 1 . 2]" 1
302 1 36 VAL HA 1 39 ALA H . . 4.000 3.704 3.224 4.006 0.006 20 0 "[ . 1 . 2]" 1
303 1 36 VAL HA 1 39 ALA MB . . 5.500 2.856 2.445 3.119 . 0 0 "[ . 1 . 2]" 1
304 1 36 VAL HA 1 40 ILE H . . 5.000 4.113 3.807 4.848 . 0 0 "[ . 1 . 2]" 1
305 1 36 VAL HB 1 37 TRP H . . 3.000 2.468 2.251 2.702 . 0 0 "[ . 1 . 2]" 1
306 1 36 VAL HB 1 37 TRP HD1 . . 6.000 4.723 4.236 5.072 . 0 0 "[ . 1 . 2]" 1
307 1 36 VAL HB 1 38 ALA H . . 6.000 4.872 4.756 4.990 . 0 0 "[ . 1 . 2]" 1
308 1 36 VAL MG1 1 37 TRP H . . 5.500 2.901 2.677 3.260 . 0 0 "[ . 1 . 2]" 1
309 1 36 VAL MG1 1 38 ALA H . . 6.500 4.749 4.638 4.898 . 0 0 "[ . 1 . 2]" 1
310 1 36 VAL MG1 1 40 ILE H . . 6.500 4.134 3.939 4.746 . 0 0 "[ . 1 . 2]" 1
311 1 36 VAL MG2 1 37 TRP H . . 6.500 3.940 3.751 4.061 . 0 0 "[ . 1 . 2]" 1
312 1 36 VAL MG2 1 38 ALA H . . 6.500 5.392 5.307 5.429 . 0 0 "[ . 1 . 2]" 1
313 1 37 TRP H 1 38 ALA H . . 3.000 2.744 2.663 2.813 . 0 0 "[ . 1 . 2]" 1
314 1 37 TRP H 1 38 ALA MB . . 6.500 4.401 4.343 4.467 . 0 0 "[ . 1 . 2]" 1
315 1 37 TRP H 1 40 ILE MD . . 7.500 4.200 3.807 6.222 . 0 0 "[ . 1 . 2]" 1
316 1 37 TRP HA 1 38 ALA H . . 4.000 3.578 3.553 3.592 . 0 0 "[ . 1 . 2]" 1
317 1 37 TRP HA 1 40 ILE H . . 4.000 3.578 3.289 3.889 . 0 0 "[ . 1 . 2]" 1
318 1 37 TRP HA 1 40 ILE HB . . 4.000 2.611 2.306 3.234 . 0 0 "[ . 1 . 2]" 1
319 1 37 TRP HA 1 41 LYS H . . 5.000 4.397 3.926 4.983 . 0 0 "[ . 1 . 2]" 1
320 1 37 TRP HB2 1 38 ALA H . . 3.000 2.768 2.671 3.001 0.001 7 0 "[ . 1 . 2]" 1
321 1 37 TRP HB3 1 38 ALA H . . 5.000 3.691 3.493 3.793 . 0 0 "[ . 1 . 2]" 1
322 1 37 TRP HE3 1 40 ILE HB . . 4.000 3.345 2.913 3.668 . 0 0 "[ . 1 . 2]" 1
323 1 37 TRP HE3 1 40 ILE MD . . 5.500 2.713 2.289 4.275 . 0 0 "[ . 1 . 2]" 1
324 1 37 TRP HE3 1 40 ILE QG . . 6.000 4.233 3.048 4.778 . 0 0 "[ . 1 . 2]" 1
325 1 37 TRP HE3 1 40 ILE MG . . 5.500 3.339 2.658 4.194 . 0 0 "[ . 1 . 2]" 1
326 1 37 TRP HH2 1 40 ILE MD . . 6.500 4.725 4.171 5.875 . 0 0 "[ . 1 . 2]" 1
327 1 37 TRP HH2 1 40 ILE MG . . 7.500 5.883 4.966 6.248 . 0 0 "[ . 1 . 2]" 1
328 1 37 TRP HZ3 1 40 ILE MD . . 5.500 3.135 2.667 4.391 . 0 0 "[ . 1 . 2]" 1
329 1 37 TRP HZ3 1 40 ILE QG . . 6.000 4.821 3.306 5.349 . 0 0 "[ . 1 . 2]" 1
330 1 38 ALA H 1 39 ALA H . . 3.000 2.762 2.590 2.903 . 0 0 "[ . 1 . 2]" 1
331 1 38 ALA HA 1 39 ALA H . . 4.000 3.584 3.008 3.623 . 0 0 "[ . 1 . 2]" 1
332 1 38 ALA HA 1 40 ILE H . . 5.000 4.477 3.657 4.700 . 0 0 "[ . 1 . 2]" 1
333 1 38 ALA HA 1 41 LYS H . . 4.000 3.704 3.428 4.044 0.044 20 0 "[ . 1 . 2]" 1
334 1 38 ALA HA 1 41 LYS QB . . 6.000 3.570 2.788 5.349 . 0 0 "[ . 1 . 2]" 1
335 1 38 ALA HA 1 42 GLU H . . 5.000 4.171 3.369 5.017 0.017 20 0 "[ . 1 . 2]" 1
336 1 38 ALA MB 1 39 ALA H . . 5.500 2.384 2.080 3.632 . 0 0 "[ . 1 . 2]" 1
337 1 39 ALA H 1 40 ILE H . . 3.000 2.763 1.916 2.927 . 0 0 "[ . 1 . 2]" 1
338 1 39 ALA H 1 40 ILE HB . . 5.000 4.675 3.721 4.860 . 0 0 "[ . 1 . 2]" 1
339 1 39 ALA H 1 40 ILE QG . . 7.000 4.775 3.868 5.967 . 0 0 "[ . 1 . 2]" 1
340 1 39 ALA HA 1 40 ILE H . . 4.000 3.587 3.347 3.612 . 0 0 "[ . 1 . 2]" 1
341 1 39 ALA HA 1 41 LYS H . . 5.000 4.427 4.006 4.786 . 0 0 "[ . 1 . 2]" 1
342 1 39 ALA HA 1 42 GLU H . . 4.000 3.434 3.189 4.049 0.049 5 0 "[ . 1 . 2]" 1
343 1 39 ALA HA 1 42 GLU QB . . 5.000 2.456 2.078 3.688 . 0 0 "[ . 1 . 2]" 1
344 1 39 ALA HA 1 43 LEU H . . 5.000 3.486 2.484 4.613 . 0 0 "[ . 1 . 2]" 1
345 1 39 ALA MB 1 40 ILE H . . 4.500 2.552 2.419 3.346 . 0 0 "[ . 1 . 2]" 1
346 1 40 ILE H 1 41 LYS H . . 3.000 2.821 2.203 3.062 0.062 6 0 "[ . 1 . 2]" 1
347 1 40 ILE HA 1 41 LYS H . . 4.000 3.601 3.553 3.643 . 0 0 "[ . 1 . 2]" 1
348 1 40 ILE HA 1 42 GLU H . . 5.000 4.572 3.908 5.027 0.027 9 0 "[ . 1 . 2]" 1
349 1 40 ILE HA 1 43 LEU H . . 5.000 4.291 3.795 4.853 . 0 0 "[ . 1 . 2]" 1
350 1 40 ILE HA 1 43 LEU QB . . 6.000 3.997 3.505 5.096 . 0 0 "[ . 1 . 2]" 1
351 1 40 ILE HA 1 45 TYR QD . . 7.000 4.320 2.895 5.956 . 0 0 "[ . 1 . 2]" 1
352 1 40 ILE HB 1 41 LYS H . . 3.000 2.763 2.556 3.048 0.048 9 0 "[ . 1 . 2]" 1
353 1 40 ILE MD 1 41 LYS H . . 5.500 4.569 4.360 4.869 . 0 0 "[ . 1 . 2]" 1
354 1 40 ILE MD 1 45 TYR QD . . 7.500 4.454 2.837 5.638 . 0 0 "[ . 1 . 2]" 1
355 1 40 ILE MD 1 45 TYR QE . . 8.500 4.657 2.940 6.440 . 0 0 "[ . 1 . 2]" 1
356 1 40 ILE QG 1 41 LYS H . . 6.000 4.322 4.183 4.610 . 0 0 "[ . 1 . 2]" 1
357 1 40 ILE QG 1 45 TYR QD . . 7.000 3.972 2.276 5.558 . 0 0 "[ . 1 . 2]" 1
358 1 40 ILE QG 1 45 TYR QE . . 8.000 4.514 2.335 6.351 . 0 0 "[ . 1 . 2]" 1
359 1 40 ILE HG12 1 41 LYS H . . 6.000 5.116 4.611 5.318 . 0 0 "[ . 1 . 2]" 1
360 1 40 ILE HG13 1 41 LYS H . . 6.000 4.678 4.438 5.054 . 0 0 "[ . 1 . 2]" 1
361 1 40 ILE MG 1 42 GLU H . . 6.500 4.779 4.328 5.235 . 0 0 "[ . 1 . 2]" 1
362 1 41 LYS H 1 42 GLU H . . 3.000 2.448 2.220 2.808 . 0 0 "[ . 1 . 2]" 1
363 1 41 LYS H 1 42 GLU HA . . 5.000 5.031 4.843 5.105 0.105 13 0 "[ . 1 . 2]" 1
364 1 41 LYS HA 1 42 GLU H . . 4.000 3.507 2.953 3.610 . 0 0 "[ . 1 . 2]" 1
365 1 41 LYS HA 1 44 HIS H . . 5.000 3.879 3.205 5.044 0.044 3 0 "[ . 1 . 2]" 1
366 1 41 LYS HA 1 45 TYR H . . 5.000 4.622 3.891 5.040 0.040 16 0 "[ . 1 . 2]" 1
367 1 41 LYS QB 1 42 GLU H . . 5.000 2.959 2.320 4.087 . 0 0 "[ . 1 . 2]" 1
368 1 41 LYS QD 1 42 GLU H . . 6.000 4.773 2.393 5.369 . 0 0 "[ . 1 . 2]" 1
369 1 41 LYS QG 1 42 GLU H . . 6.000 3.815 2.298 4.605 . 0 0 "[ . 1 . 2]" 1
370 1 42 GLU H 1 43 LEU H . . 3.000 2.691 2.140 2.972 . 0 0 "[ . 1 . 2]" 1
371 1 42 GLU H 1 43 LEU QD . . 8.900 4.622 3.901 5.752 . 0 0 "[ . 1 . 2]" 1
372 1 42 GLU H 1 44 HIS H . . 5.000 3.992 2.674 5.051 0.051 12 0 "[ . 1 . 2]" 1
373 1 42 GLU HA 1 43 LEU H . . 5.000 3.607 3.533 3.626 . 0 0 "[ . 1 . 2]" 1
374 1 42 GLU QB 1 43 LEU H . . 4.000 2.405 2.133 2.844 . 0 0 "[ . 1 . 2]" 1
375 1 42 GLU HB2 1 43 LEU H . . 4.000 3.263 2.324 3.920 . 0 0 "[ . 1 . 2]" 1
376 1 42 GLU HB3 1 43 LEU H . . 5.000 2.809 2.148 4.023 . 0 0 "[ . 1 . 2]" 1
377 1 42 GLU QG 1 43 LEU H . . 6.000 3.835 3.299 4.517 . 0 0 "[ . 1 . 2]" 1
378 1 43 LEU H 1 44 HIS H . . 4.000 2.631 2.415 3.352 . 0 0 "[ . 1 . 2]" 1
379 1 43 LEU HA 1 44 HIS H . . 5.000 3.475 3.174 3.599 . 0 0 "[ . 1 . 2]" 1
380 1 43 LEU HA 1 44 HIS HD2 . . 6.000 5.302 3.825 6.030 0.030 20 0 "[ . 1 . 2]" 1
381 1 43 LEU QB 1 44 HIS H . . 6.000 2.863 1.841 3.637 . 0 0 "[ . 1 . 2]" 1
382 1 43 LEU HB2 1 44 HIS H . . 5.000 3.267 2.170 3.946 . 0 0 "[ . 1 . 2]" 1
383 1 43 LEU HB3 1 44 HIS H . . 4.000 3.459 1.848 4.351 0.351 2 0 "[ . 1 . 2]" 1
384 1 44 HIS H 1 45 TYR H . . 4.000 3.291 1.915 4.142 0.142 20 0 "[ . 1 . 2]" 1
385 1 44 HIS H 1 45 TYR QB . . 6.000 4.494 3.430 5.199 . 0 0 "[ . 1 . 2]" 1
386 1 44 HIS HA 1 45 TYR H . . 3.000 2.485 2.118 3.166 0.166 3 0 "[ . 1 . 2]" 1
387 1 44 HIS HB2 1 45 TYR H . . 4.000 3.964 2.869 4.290 0.290 5 0 "[ . 1 . 2]" 1
388 1 44 HIS HB3 1 45 TYR H . . 5.000 4.115 3.052 4.552 . 0 0 "[ . 1 . 2]" 1
389 1 45 TYR H 1 46 SER H . . 5.000 4.035 2.555 4.640 . 0 0 "[ . 1 . 2]" 1
390 1 45 TYR HA 1 46 SER H . . 3.000 2.436 2.152 3.140 0.140 16 0 "[ . 1 . 2]" 1
391 1 45 TYR HB2 1 46 SER H . . 5.000 4.136 2.042 4.688 . 0 0 "[ . 1 . 2]" 1
392 1 45 TYR HB3 1 46 SER H . . 5.000 4.119 2.114 4.666 . 0 0 "[ . 1 . 2]" 1
393 1 45 TYR QD 1 46 SER H . . 6.000 3.349 2.027 4.300 . 0 0 "[ . 1 . 2]" 1
394 1 45 TYR QD 1 47 PRO HA . . 7.000 5.164 4.006 6.245 . 0 0 "[ . 1 . 2]" 1
395 1 45 TYR QD 1 47 PRO QD . . 8.000 3.260 2.234 4.655 . 0 0 "[ . 1 . 2]" 1
396 1 45 TYR QD 1 47 PRO QG . . 7.000 3.884 2.264 5.541 . 0 0 "[ . 1 . 2]" 1
397 1 45 TYR QE 1 46 SER H . . 7.000 4.928 3.577 5.932 . 0 0 "[ . 1 . 2]" 1
398 1 45 TYR QE 1 47 PRO HA . . 8.000 4.849 2.935 7.136 . 0 0 "[ . 1 . 2]" 1
399 1 45 TYR QE 1 47 PRO QB . . 8.000 4.021 2.268 6.354 . 0 0 "[ . 1 . 2]" 1
400 1 45 TYR QE 1 47 PRO QD . . 8.000 3.910 2.506 5.867 . 0 0 "[ . 1 . 2]" 1
401 1 45 TYR QE 1 47 PRO QG . . 7.000 3.623 2.124 5.567 . 0 0 "[ . 1 . 2]" 1
402 1 47 PRO QB 1 48 SER HA . . 6.000 4.556 3.897 5.379 . 0 0 "[ . 1 . 2]" 1
403 1 50 VAL H 1 51 ALA H . . 5.000 3.855 2.505 4.675 . 0 0 "[ . 1 . 2]" 1
404 1 51 ALA H 1 52 ARG H . . 4.000 3.043 1.893 4.047 0.047 16 0 "[ . 1 . 2]" 1
405 1 52 ARG H 1 53 SER H . . 4.000 3.038 1.973 4.083 0.083 1 0 "[ . 1 . 2]" 1
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