NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | in_dress | stage | program | type | subtype | subsubtype |
|
|
370831 |
1bzg   |
cing | recoord | dress | 4-filtered-FRED | Wattos | check | violation | distance |
data_1bzg
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 595
_Distance_constraint_stats_list.Viol_count 2423
_Distance_constraint_stats_list.Viol_total 9394.570
_Distance_constraint_stats_list.Viol_max 2.041
_Distance_constraint_stats_list.Viol_rms 0.0721
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0175
_Distance_constraint_stats_list.Viol_average_violations_only 0.1292
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 2 VAL 2.824 0.291 8 0 "[ . 1 . 2 . 3]"
1 3 SER 0.947 0.195 6 0 "[ . 1 . 2 . 3]"
1 4 GLU 2.034 0.115 7 0 "[ . 1 . 2 . 3]"
1 5 HIS 17.243 0.375 21 0 "[ . 1 . 2 . 3]"
1 6 GLN 16.598 0.314 6 0 "[ . 1 . 2 . 3]"
1 7 LEU 5.309 0.314 6 0 "[ . 1 . 2 . 3]"
1 8 LEU 33.786 0.445 10 0 "[ . 1 . 2 . 3]"
1 9 HIS 33.164 0.485 6 0 "[ . 1 . 2 . 3]"
1 10 ASP 16.786 0.352 30 0 "[ . 1 . 2 . 3]"
1 11 LYS 4.201 0.333 19 0 "[ . 1 . 2 . 3]"
1 12 GLY 4.130 0.272 20 0 "[ . 1 . 2 . 3]"
1 13 LYS 40.395 0.558 16 1 "[ . 1 .+ 2 . 3]"
1 14 SER 21.850 0.460 5 0 "[ . 1 . 2 . 3]"
1 15 ILE 66.247 2.041 13 20 "[** ** * ****+*.* **-* ** ** 3]"
1 16 GLN 14.045 0.442 11 0 "[ . 1 . 2 . 3]"
1 17 ASP 30.831 0.583 22 1 "[ . 1 . 2 + . 3]"
1 18 LEU 2.384 0.177 8 0 "[ . 1 . 2 . 3]"
1 19 ARG 24.705 1.009 27 4 "[ *. *1 . 2 - + 3]"
1 20 ARG 16.984 1.097 14 4 "[- . 1* +. * . 3]"
1 21 ARG 41.042 2.041 13 16 "[** * * -**+*. *** ** **3]"
1 22 PHE 16.536 0.292 27 0 "[ . 1 . 2 . 3]"
1 23 PHE 17.594 0.400 27 0 "[ . 1 . 2 . 3]"
1 24 LEU 5.745 1.097 14 4 "[- . 1* +. * . 3]"
1 25 HIS 4.271 0.223 4 0 "[ . 1 . 2 . 3]"
1 26 HIS 17.023 0.339 24 0 "[ . 1 . 2 . 3]"
1 27 LEU 2.342 0.339 24 0 "[ . 1 . 2 . 3]"
1 28 ILE 0.098 0.053 25 0 "[ . 1 . 2 . 3]"
1 29 ALA 2.952 0.227 15 0 "[ . 1 . 2 . 3]"
1 30 GLU 2.671 0.253 15 0 "[ . 1 . 2 . 3]"
1 31 ILE 5.193 0.191 9 0 "[ . 1 . 2 . 3]"
1 32 HIS 7.826 0.251 14 0 "[ . 1 . 2 . 3]"
1 33 THR 0.120 0.045 6 0 "[ . 1 . 2 . 3]"
1 34 ALA 0.083 0.031 6 0 "[ . 1 . 2 . 3]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 ALA MB 1 2 VAL H 1.800 . 5.000 2.863 1.923 3.732 . 0 0 "[ . 1 . 2 . 3]" 1
2 1 2 VAL H 1 2 VAL HA 1.800 . 2.700 2.714 2.339 2.791 0.091 14 0 "[ . 1 . 2 . 3]" 1
3 1 2 VAL H 1 2 VAL HB 1.800 . 2.700 2.559 2.310 2.869 0.169 29 0 "[ . 1 . 2 . 3]" 1
4 1 2 VAL H 1 2 VAL QG 1.800 . 3.700 2.286 1.897 3.233 . 0 0 "[ . 1 . 2 . 3]" 1
5 1 2 VAL HA 1 2 VAL HB 1.800 . 2.700 2.498 2.381 2.991 0.291 8 0 "[ . 1 . 2 . 3]" 1
6 1 2 VAL HA 1 2 VAL QG 1.800 . 3.700 2.243 1.881 2.396 . 0 0 "[ . 1 . 2 . 3]" 1
7 1 2 VAL HB 1 2 VAL QG 1.800 . 3.700 1.901 1.885 1.917 . 0 0 "[ . 1 . 2 . 3]" 1
8 1 2 VAL HB 1 3 SER H 1.800 . 4.000 3.947 3.576 4.195 0.195 6 0 "[ . 1 . 2 . 3]" 1
9 1 2 VAL QG 1 3 SER H 1.800 . 3.700 2.061 1.775 3.290 0.025 13 0 "[ . 1 . 2 . 3]" 1
10 1 2 VAL QG 1 3 SER HA 1.800 . 7.000 3.466 3.058 3.971 . 0 0 "[ . 1 . 2 . 3]" 1
11 1 2 VAL QG 1 6 GLN H 1.800 . 6.500 4.742 3.740 6.229 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 2 VAL QG 1 6 GLN HE21 1.800 . 6.500 4.441 2.250 6.513 0.013 14 0 "[ . 1 . 2 . 3]" 1
13 1 2 VAL QG 1 6 GLN QG 1.800 . 7.000 3.669 2.182 5.991 . 0 0 "[ . 1 . 2 . 3]" 1
14 1 2 VAL QG 1 7 LEU H 1.800 . 6.500 5.817 3.934 6.486 . 0 0 "[ . 1 . 2 . 3]" 1
15 1 3 SER H 1 3 SER HB2 1.800 . 4.000 3.352 2.487 3.834 . 0 0 "[ . 1 . 2 . 3]" 1
16 1 3 SER H 1 3 SER HB3 1.800 . 2.700 2.510 2.117 2.803 0.103 27 0 "[ . 1 . 2 . 3]" 1
17 1 3 SER H 1 6 GLN QG 1.800 . 6.000 4.179 2.387 6.016 0.016 7 0 "[ . 1 . 2 . 3]" 1
18 1 3 SER HA 1 3 SER HB2 1.800 . 2.700 2.360 2.253 2.569 . 0 0 "[ . 1 . 2 . 3]" 1
19 1 3 SER HA 1 4 GLU H 1.800 . 2.700 2.378 2.184 2.704 0.004 30 0 "[ . 1 . 2 . 3]" 1
20 1 3 SER HA 1 4 GLU HB3 1.800 . 5.500 4.932 4.542 5.294 . 0 0 "[ . 1 . 2 . 3]" 1
21 1 3 SER HB2 1 4 GLU H 1.800 . 5.500 3.564 2.413 4.490 . 0 0 "[ . 1 . 2 . 3]" 1
22 1 3 SER HB2 1 6 GLN H 1.800 . 5.500 4.354 3.347 5.140 . 0 0 "[ . 1 . 2 . 3]" 1
23 1 3 SER HB3 1 4 GLU H 1.800 . 5.500 4.058 3.215 4.643 . 0 0 "[ . 1 . 2 . 3]" 1
24 1 3 SER HB3 1 6 GLN H 1.800 . 5.500 3.947 2.505 5.337 . 0 0 "[ . 1 . 2 . 3]" 1
25 1 4 GLU H 1 4 GLU HB2 1.800 . 2.700 2.533 2.335 2.714 0.014 12 0 "[ . 1 . 2 . 3]" 1
26 1 4 GLU H 1 4 GLU HB3 1.800 . 2.700 2.646 2.433 2.769 0.069 17 0 "[ . 1 . 2 . 3]" 1
27 1 4 GLU H 1 4 GLU HG2 1.800 . 5.500 4.565 4.360 4.733 . 0 0 "[ . 1 . 2 . 3]" 1
28 1 4 GLU H 1 4 GLU HG3 1.800 . 5.500 4.468 4.320 4.746 . 0 0 "[ . 1 . 2 . 3]" 1
29 1 4 GLU HA 1 5 HIS H 1.800 . 4.000 3.559 3.479 3.591 . 0 0 "[ . 1 . 2 . 3]" 1
30 1 4 GLU HB2 1 5 HIS H 1.800 . 5.500 3.634 3.344 3.969 . 0 0 "[ . 1 . 2 . 3]" 1
31 1 4 GLU HB2 1 5 HIS HA 1.800 . 5.500 5.556 5.526 5.615 0.115 7 0 "[ . 1 . 2 . 3]" 1
32 1 4 GLU HB3 1 5 HIS H 1.800 . 5.500 2.284 1.852 2.927 . 0 0 "[ . 1 . 2 . 3]" 1
33 1 4 GLU HG2 1 5 HIS H 1.800 . 5.500 3.853 2.110 4.847 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 4 GLU HG3 1 5 HIS H 1.800 . 5.500 4.237 2.676 4.870 . 0 0 "[ . 1 . 2 . 3]" 1
35 1 5 HIS H 1 5 HIS HA 1.800 . 2.700 2.762 2.728 2.886 0.186 7 0 "[ . 1 . 2 . 3]" 1
36 1 5 HIS H 1 5 HIS HB2 1.800 . 2.700 2.117 2.068 2.204 . 0 0 "[ . 1 . 2 . 3]" 1
37 1 5 HIS H 1 5 HIS HB3 1.800 . 4.000 3.366 3.137 3.532 . 0 0 "[ . 1 . 2 . 3]" 1
38 1 5 HIS H 1 5 HIS HD2 1.800 . 5.500 3.861 3.291 4.358 . 0 0 "[ . 1 . 2 . 3]" 1
39 1 5 HIS H 1 6 GLN H 1.800 . 5.500 2.912 2.390 3.740 . 0 0 "[ . 1 . 2 . 3]" 1
40 1 5 HIS HA 1 5 HIS HB2 1.800 . 2.700 2.836 2.707 2.921 0.221 23 0 "[ . 1 . 2 . 3]" 1
41 1 5 HIS HA 1 5 HIS HB3 1.800 . 2.700 2.822 2.723 2.934 0.234 25 0 "[ . 1 . 2 . 3]" 1
42 1 5 HIS HA 1 5 HIS HD2 1.800 . 4.000 3.900 3.561 4.014 0.014 7 0 "[ . 1 . 2 . 3]" 1
43 1 5 HIS HA 1 6 GLN H 1.800 . 4.000 3.499 3.386 3.579 . 0 0 "[ . 1 . 2 . 3]" 1
44 1 5 HIS HA 1 6 GLN HA 1.800 . 5.500 4.879 4.647 5.240 . 0 0 "[ . 1 . 2 . 3]" 1
45 1 5 HIS HA 1 6 GLN HB2 1.800 . 5.500 5.420 4.735 5.533 0.033 3 0 "[ . 1 . 2 . 3]" 1
46 1 5 HIS HA 1 6 GLN QG 1.800 . 6.000 5.901 5.487 6.029 0.029 7 0 "[ . 1 . 2 . 3]" 1
47 1 5 HIS HA 1 8 LEU H 1.800 . 4.000 4.147 4.054 4.375 0.375 21 0 "[ . 1 . 2 . 3]" 1
48 1 5 HIS HA 1 8 LEU HB3 1.800 . 5.500 3.158 2.629 4.346 . 0 0 "[ . 1 . 2 . 3]" 1
49 1 5 HIS HB2 1 5 HIS HD2 1.800 . 2.700 2.747 2.737 2.779 0.079 5 0 "[ . 1 . 2 . 3]" 1
50 1 5 HIS HB2 1 5 HIS HE1 1.800 . 5.500 5.355 5.335 5.364 . 0 0 "[ . 1 . 2 . 3]" 1
51 1 5 HIS HB2 1 6 GLN H 1.800 . 5.500 3.362 2.581 3.742 . 0 0 "[ . 1 . 2 . 3]" 1
52 1 5 HIS HB3 1 5 HIS HD2 1.800 . 4.000 3.794 3.741 3.870 . 0 0 "[ . 1 . 2 . 3]" 1
53 1 5 HIS HB3 1 6 GLN H 1.800 . 5.500 3.178 1.826 3.611 . 0 0 "[ . 1 . 2 . 3]" 1
54 1 5 HIS HE1 1 8 LEU MD1 1.800 . 6.500 4.598 2.936 6.410 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 5 HIS HE1 1 8 LEU MD2 1.800 . 6.500 2.961 1.986 6.004 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 6 GLN H 1 6 GLN HA 1.800 . 2.700 2.775 2.365 2.904 0.204 4 0 "[ . 1 . 2 . 3]" 1
57 1 6 GLN H 1 6 GLN HB2 1.800 . 2.700 2.162 2.102 2.899 0.199 21 0 "[ . 1 . 2 . 3]" 1
58 1 6 GLN H 1 6 GLN HB3 1.800 . 4.000 3.462 3.385 3.934 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 6 GLN H 1 6 GLN QG 1.800 . 3.200 3.130 2.914 3.292 0.092 21 0 "[ . 1 . 2 . 3]" 1
60 1 6 GLN HA 1 6 GLN HB2 1.800 . 2.700 2.888 2.831 2.928 0.228 15 0 "[ . 1 . 2 . 3]" 1
61 1 6 GLN HA 1 6 GLN HB3 1.800 . 2.700 2.772 2.703 2.830 0.130 21 0 "[ . 1 . 2 . 3]" 1
62 1 6 GLN HA 1 6 GLN HE21 1.800 . 5.500 4.244 2.169 4.954 . 0 0 "[ . 1 . 2 . 3]" 1
63 1 6 GLN HA 1 6 GLN HE22 1.800 . 5.500 4.887 3.151 5.579 0.079 6 0 "[ . 1 . 2 . 3]" 1
64 1 6 GLN HA 1 6 GLN QG 1.800 . 3.200 2.082 1.901 2.558 . 0 0 "[ . 1 . 2 . 3]" 1
65 1 6 GLN HA 1 7 LEU H 1.800 . 2.700 2.575 2.381 3.014 0.314 6 0 "[ . 1 . 2 . 3]" 1
66 1 6 GLN HA 1 9 HIS H 1.800 . 4.000 3.365 2.885 4.019 0.019 4 0 "[ . 1 . 2 . 3]" 1
67 1 6 GLN HA 1 9 HIS HB2 1.800 . 5.500 3.729 2.966 4.795 . 0 0 "[ . 1 . 2 . 3]" 1
68 1 6 GLN HA 1 9 HIS HB3 1.800 . 5.500 3.234 1.831 5.534 0.034 12 0 "[ . 1 . 2 . 3]" 1
69 1 6 GLN HA 1 9 HIS HD2 1.800 . 5.500 5.039 3.304 5.686 0.186 5 0 "[ . 1 . 2 . 3]" 1
70 1 6 GLN HB2 1 6 GLN HE21 1.800 . 5.500 3.959 2.161 4.721 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 6 GLN HB2 1 7 LEU H 1.800 . 4.000 3.975 3.532 4.113 0.113 4 0 "[ . 1 . 2 . 3]" 1
72 1 6 GLN HB3 1 6 GLN HE21 1.800 . 5.500 3.308 1.857 4.344 . 0 0 "[ . 1 . 2 . 3]" 1
73 1 6 GLN HB3 1 6 GLN HE22 1.800 . 5.500 3.910 3.171 4.457 . 0 0 "[ . 1 . 2 . 3]" 1
74 1 6 GLN HB3 1 7 LEU H 1.800 . 4.000 2.812 1.967 4.176 0.176 4 0 "[ . 1 . 2 . 3]" 1
75 1 6 GLN HB3 1 7 LEU QB 1.800 . 6.000 3.533 3.100 5.485 . 0 0 "[ . 1 . 2 . 3]" 1
76 1 6 GLN HB3 1 7 LEU HG 1.800 . 5.500 4.712 3.129 5.216 . 0 0 "[ . 1 . 2 . 3]" 1
77 1 6 GLN QG 1 7 LEU H 1.800 . 6.000 3.542 2.690 4.531 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 7 LEU H 1 7 LEU HA 1.800 . 2.700 2.438 2.349 2.944 0.244 4 0 "[ . 1 . 2 . 3]" 1
79 1 7 LEU H 1 7 LEU QB 1.800 . 3.200 3.001 2.218 3.182 . 0 0 "[ . 1 . 2 . 3]" 1
80 1 7 LEU H 1 7 LEU MD1 1.800 . 5.000 4.143 3.340 4.855 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 7 LEU H 1 7 LEU MD2 1.800 . 5.000 4.558 3.974 4.938 . 0 0 "[ . 1 . 2 . 3]" 1
82 1 7 LEU H 1 7 LEU HG 1.800 . 4.000 3.763 2.457 4.034 0.034 9 0 "[ . 1 . 2 . 3]" 1
83 1 7 LEU H 1 8 LEU H 1.800 . 4.000 3.532 2.515 4.060 0.060 21 0 "[ . 1 . 2 . 3]" 1
84 1 7 LEU H 1 10 ASP HB2 1.800 . 5.500 4.961 2.318 5.571 0.071 15 0 "[ . 1 . 2 . 3]" 1
85 1 7 LEU HA 1 7 LEU MD1 1.800 . 3.700 3.474 2.821 3.734 0.034 21 0 "[ . 1 . 2 . 3]" 1
86 1 7 LEU HA 1 7 LEU MD2 1.800 . 3.700 2.774 1.908 3.472 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 7 LEU HA 1 7 LEU HG 1.800 . 2.700 2.088 1.931 2.427 . 0 0 "[ . 1 . 2 . 3]" 1
88 1 7 LEU HA 1 10 ASP H 1.800 . 4.000 3.852 3.327 4.118 0.118 22 0 "[ . 1 . 2 . 3]" 1
89 1 7 LEU HA 1 10 ASP HB2 1.800 . 5.500 4.170 2.321 5.626 0.126 25 0 "[ . 1 . 2 . 3]" 1
90 1 7 LEU QB 1 7 LEU MD2 1.800 . 4.200 2.065 1.865 2.283 . 0 0 "[ . 1 . 2 . 3]" 1
91 1 7 LEU MD1 1 7 LEU MD2 1.800 . 4.700 2.005 1.854 2.082 . 0 0 "[ . 1 . 2 . 3]" 1
92 1 8 LEU H 1 8 LEU HA 1.800 . 2.700 2.816 2.779 2.864 0.164 29 0 "[ . 1 . 2 . 3]" 1
93 1 8 LEU H 1 8 LEU HB2 1.800 . 2.700 2.740 2.444 2.821 0.121 14 0 "[ . 1 . 2 . 3]" 1
94 1 8 LEU H 1 8 LEU HB3 1.800 . 2.700 2.205 1.990 2.328 . 0 0 "[ . 1 . 2 . 3]" 1
95 1 8 LEU H 1 8 LEU MD1 1.800 . 3.700 3.925 3.315 4.016 0.316 20 0 "[ . 1 . 2 . 3]" 1
96 1 8 LEU H 1 8 LEU MD2 1.800 . 4.500 4.184 3.949 4.254 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 8 LEU H 1 8 LEU HG 1.800 . 4.000 4.182 4.092 4.445 0.445 10 0 "[ . 1 . 2 . 3]" 1
98 1 8 LEU H 1 9 HIS H 1.800 . 2.700 2.513 2.254 2.698 . 0 0 "[ . 1 . 2 . 3]" 1
99 1 8 LEU HA 1 8 LEU HB2 1.800 . 2.700 2.350 2.292 2.409 . 0 0 "[ . 1 . 2 . 3]" 1
100 1 8 LEU HA 1 8 LEU HB3 1.800 . 2.700 2.978 2.947 2.988 0.288 22 0 "[ . 1 . 2 . 3]" 1
101 1 8 LEU HA 1 8 LEU MD1 1.800 . 4.500 1.973 1.786 3.491 0.014 17 0 "[ . 1 . 2 . 3]" 1
102 1 8 LEU HA 1 8 LEU MD2 1.800 . 3.700 3.591 1.846 3.843 0.143 24 0 "[ . 1 . 2 . 3]" 1
103 1 8 LEU HA 1 8 LEU HG 1.800 . 4.000 3.364 3.135 3.809 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 8 LEU HB2 1 8 LEU MD1 1.800 . 3.700 2.443 2.264 3.158 . 0 0 "[ . 1 . 2 . 3]" 1
105 1 8 LEU HB2 1 8 LEU MD2 1.800 . 3.700 2.286 2.146 2.550 . 0 0 "[ . 1 . 2 . 3]" 1
106 1 8 LEU HB3 1 8 LEU MD1 1.800 . 3.700 3.031 2.078 3.156 . 0 0 "[ . 1 . 2 . 3]" 1
107 1 8 LEU HB3 1 8 LEU HG 1.800 . 2.700 2.410 2.356 2.538 . 0 0 "[ . 1 . 2 . 3]" 1
108 1 8 LEU HB3 1 9 HIS H 1.800 . 4.000 2.744 2.257 3.344 . 0 0 "[ . 1 . 2 . 3]" 1
109 1 8 LEU MD1 1 9 HIS H 1.800 . 6.500 3.872 1.916 4.291 . 0 0 "[ . 1 . 2 . 3]" 1
110 1 8 LEU MD1 1 9 HIS HA 1.800 . 6.500 3.795 2.117 4.322 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 8 LEU MD1 1 9 HIS HB3 1.800 . 6.500 5.522 2.695 6.359 . 0 0 "[ . 1 . 2 . 3]" 1
112 1 8 LEU MD1 1 9 HIS HD2 1.800 . 6.500 5.155 2.487 6.513 0.013 16 0 "[ . 1 . 2 . 3]" 1
113 1 8 LEU MD2 1 9 HIS H 1.800 . 6.500 4.351 3.602 4.975 . 0 0 "[ . 1 . 2 . 3]" 1
114 1 8 LEU MD2 1 9 HIS HA 1.800 . 6.500 4.708 3.229 5.112 . 0 0 "[ . 1 . 2 . 3]" 1
115 1 8 LEU MD2 1 9 HIS HB3 1.800 . 6.800 5.905 4.829 6.819 0.019 2 0 "[ . 1 . 2 . 3]" 1
116 1 8 LEU MD2 1 9 HIS HD2 1.800 . 6.500 5.554 3.111 6.633 0.133 18 0 "[ . 1 . 2 . 3]" 1
117 1 9 HIS H 1 9 HIS HA 1.800 . 2.700 2.853 2.734 2.923 0.223 1 0 "[ . 1 . 2 . 3]" 1
118 1 9 HIS H 1 9 HIS HB2 1.800 . 2.700 2.679 2.347 2.907 0.207 14 0 "[ . 1 . 2 . 3]" 1
119 1 9 HIS H 1 9 HIS HB3 1.800 . 4.000 2.725 2.106 3.673 . 0 0 "[ . 1 . 2 . 3]" 1
120 1 9 HIS H 1 9 HIS HD2 1.800 . 5.500 3.929 1.804 5.079 . 0 0 "[ . 1 . 2 . 3]" 1
121 1 9 HIS HA 1 9 HIS HD2 1.800 . 2.700 2.692 2.299 3.078 0.378 19 0 "[ . 1 . 2 . 3]" 1
122 1 9 HIS HA 1 10 ASP H 1.800 . 4.000 3.283 2.786 3.570 . 0 0 "[ . 1 . 2 . 3]" 1
123 1 9 HIS HA 1 10 ASP HB2 1.800 . 5.500 5.475 5.189 5.810 0.310 3 0 "[ . 1 . 2 . 3]" 1
124 1 9 HIS HB2 1 9 HIS HD2 1.800 . 2.700 3.086 2.958 3.185 0.485 6 0 "[ . 1 . 2 . 3]" 1
125 1 9 HIS HB2 1 10 ASP H 1.800 . 5.500 3.645 2.012 4.640 . 0 0 "[ . 1 . 2 . 3]" 1
126 1 9 HIS HB3 1 10 ASP H 1.800 . 5.500 3.424 2.233 4.283 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 9 HIS HD2 1 10 ASP HB3 1.800 . 5.500 5.676 5.554 5.837 0.337 9 0 "[ . 1 . 2 . 3]" 1
128 1 10 ASP H 1 10 ASP HA 1.800 . 2.700 2.622 2.360 2.923 0.223 16 0 "[ . 1 . 2 . 3]" 1
129 1 10 ASP H 1 10 ASP HB2 1.800 . 2.700 2.651 2.246 2.872 0.172 15 0 "[ . 1 . 2 . 3]" 1
130 1 10 ASP H 1 10 ASP HB3 1.800 . 2.700 2.642 2.140 3.052 0.352 30 0 "[ . 1 . 2 . 3]" 1
131 1 10 ASP H 1 13 LYS HG2 1.800 . 5.500 5.040 3.634 5.609 0.109 30 0 "[ . 1 . 2 . 3]" 1
132 1 10 ASP HA 1 11 LYS H 1.800 . 5.500 2.876 2.203 3.578 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 10 ASP HA 1 11 LYS HA 1.800 . 5.500 4.790 4.391 5.382 . 0 0 "[ . 1 . 2 . 3]" 1
134 1 10 ASP HA 1 11 LYS HB2 1.800 . 5.500 4.909 4.223 5.596 0.096 19 0 "[ . 1 . 2 . 3]" 1
135 1 10 ASP HA 1 13 LYS HG2 1.800 . 5.500 3.861 1.995 5.534 0.034 6 0 "[ . 1 . 2 . 3]" 1
136 1 10 ASP HA 1 13 LYS HG3 1.800 . 5.500 4.344 2.185 5.548 0.048 4 0 "[ . 1 . 2 . 3]" 1
137 1 10 ASP HB2 1 11 LYS H 1.800 . 5.500 4.134 3.314 4.684 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 10 ASP HB2 1 13 LYS H 1.800 . 5.500 5.227 4.433 5.662 0.162 19 0 "[ . 1 . 2 . 3]" 1
139 1 10 ASP HB3 1 11 LYS H 1.800 . 5.500 3.530 1.893 4.581 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 10 ASP HB3 1 13 LYS H 1.800 . 5.500 4.696 3.292 5.626 0.126 19 0 "[ . 1 . 2 . 3]" 1
141 1 11 LYS H 1 11 LYS HA 1.800 . 2.700 2.713 2.347 2.912 0.212 8 0 "[ . 1 . 2 . 3]" 1
142 1 11 LYS H 1 11 LYS HB2 1.800 . 2.700 2.369 2.075 2.858 0.158 18 0 "[ . 1 . 2 . 3]" 1
143 1 11 LYS H 1 11 LYS HB3 1.800 . 4.000 3.227 2.476 3.842 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 11 LYS H 1 11 LYS QD 1.800 . 6.000 4.174 3.194 4.965 . 0 0 "[ . 1 . 2 . 3]" 1
145 1 11 LYS H 1 11 LYS QE 1.800 . 6.000 5.419 3.555 6.002 0.002 22 0 "[ . 1 . 2 . 3]" 1
146 1 11 LYS H 1 11 LYS QG 1.800 . 4.500 3.625 2.850 4.382 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 11 LYS H 1 12 GLY QA 1.800 . 6.000 4.910 4.412 5.231 . 0 0 "[ . 1 . 2 . 3]" 1
148 1 11 LYS HA 1 11 LYS QD 1.800 . 6.000 2.378 1.805 4.026 . 0 0 "[ . 1 . 2 . 3]" 1
149 1 11 LYS HA 1 11 LYS QE 1.800 . 6.000 3.879 2.090 4.704 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 11 LYS HA 1 12 GLY H 1.800 . 4.000 2.684 2.178 3.532 . 0 0 "[ . 1 . 2 . 3]" 1
151 1 11 LYS HA 1 12 GLY QA 1.800 . 6.000 4.069 3.960 4.287 . 0 0 "[ . 1 . 2 . 3]" 1
152 1 11 LYS HA 1 13 LYS H 1.800 . 5.500 4.175 3.599 5.472 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 11 LYS HB2 1 11 LYS QE 1.800 . 6.000 3.975 2.483 4.606 . 0 0 "[ . 1 . 2 . 3]" 1
154 1 11 LYS HB3 1 11 LYS QE 1.800 . 6.000 3.734 2.135 4.611 . 0 0 "[ . 1 . 2 . 3]" 1
155 1 11 LYS QD 1 11 LYS QE 1.800 . 3.700 2.051 1.948 2.107 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 11 LYS QD 1 15 ILE H 1.800 . 6.000 5.574 4.824 5.967 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 11 LYS QD 1 15 ILE HA 1.800 . 6.000 5.662 4.568 6.333 0.333 19 0 "[ . 1 . 2 . 3]" 1
158 1 11 LYS QE 1 11 LYS QG 1.800 . 6.500 2.156 1.892 2.736 . 0 0 "[ . 1 . 2 . 3]" 1
159 1 11 LYS QE 1 15 ILE MD 1.800 . 7.000 4.517 2.236 6.650 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 11 LYS QE 1 15 ILE MG 1.800 . 7.000 4.992 3.335 7.002 0.002 10 0 "[ . 1 . 2 . 3]" 1
161 1 12 GLY H 1 13 LYS HB2 1.800 . 5.500 4.097 3.444 4.752 . 0 0 "[ . 1 . 2 . 3]" 1
162 1 12 GLY H 1 13 LYS HB3 1.800 . 5.500 5.349 4.917 5.579 0.079 21 0 "[ . 1 . 2 . 3]" 1
163 1 12 GLY H 1 13 LYS QD 1.800 . 6.000 4.831 2.310 6.209 0.209 22 0 "[ . 1 . 2 . 3]" 1
164 1 12 GLY H 1 13 LYS HG2 1.800 . 5.500 3.890 2.468 5.514 0.014 22 0 "[ . 1 . 2 . 3]" 1
165 1 12 GLY H 1 13 LYS HG3 1.800 . 5.500 5.005 2.815 5.711 0.211 20 0 "[ . 1 . 2 . 3]" 1
166 1 12 GLY H 1 15 ILE HG13 1.800 . 5.500 4.489 2.395 5.772 0.272 20 0 "[ . 1 . 2 . 3]" 1
167 1 12 GLY QA 1 13 LYS H 1.800 . 3.200 2.818 2.279 2.958 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 12 GLY QA 1 13 LYS HA 1.800 . 6.000 4.182 4.040 4.620 . 0 0 "[ . 1 . 2 . 3]" 1
169 1 12 GLY QA 1 13 LYS HB2 1.800 . 6.000 4.755 3.577 5.322 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 12 GLY QA 1 13 LYS QD 1.800 . 6.500 4.688 3.162 5.964 . 0 0 "[ . 1 . 2 . 3]" 1
171 1 12 GLY QA 1 13 LYS HG2 1.800 . 6.000 4.343 3.734 5.548 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 12 GLY QA 1 15 ILE HB 1.800 . 6.000 5.361 3.743 6.217 0.217 19 0 "[ . 1 . 2 . 3]" 1
173 1 12 GLY QA 1 15 ILE MD 1.800 . 7.000 4.204 1.795 6.548 0.005 8 0 "[ . 1 . 2 . 3]" 1
174 1 12 GLY QA 1 15 ILE HG13 1.800 . 6.000 4.750 2.881 6.045 0.045 24 0 "[ . 1 . 2 . 3]" 1
175 1 12 GLY QA 1 15 ILE MG 1.800 . 7.000 5.257 1.780 6.826 0.020 16 0 "[ . 1 . 2 . 3]" 1
176 1 13 LYS H 1 13 LYS HA 1.800 . 2.700 2.757 2.329 2.951 0.251 8 0 "[ . 1 . 2 . 3]" 1
177 1 13 LYS H 1 13 LYS HB2 1.800 . 2.700 2.628 2.129 3.126 0.426 17 0 "[ . 1 . 2 . 3]" 1
178 1 13 LYS H 1 13 LYS HB3 1.800 . 4.000 3.653 3.474 3.997 . 0 0 "[ . 1 . 2 . 3]" 1
179 1 13 LYS H 1 13 LYS QD 1.800 . 4.500 3.356 1.841 4.500 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 13 LYS H 1 13 LYS QE 1.800 . 4.500 4.219 3.186 4.839 0.339 21 0 "[ . 1 . 2 . 3]" 1
181 1 13 LYS H 1 13 LYS HG2 1.800 . 4.000 2.353 1.826 3.364 . 0 0 "[ . 1 . 2 . 3]" 1
182 1 13 LYS H 1 13 LYS HG3 1.800 . 4.000 3.486 1.779 4.162 0.162 18 0 "[ . 1 . 2 . 3]" 1
183 1 13 LYS HA 1 13 LYS HB2 1.800 . 2.700 2.959 2.884 2.987 0.287 12 0 "[ . 1 . 2 . 3]" 1
184 1 13 LYS HA 1 13 LYS HB3 1.800 . 2.700 2.471 2.279 2.731 0.031 22 0 "[ . 1 . 2 . 3]" 1
185 1 13 LYS HA 1 13 LYS QD 1.800 . 4.500 2.257 1.816 4.125 . 0 0 "[ . 1 . 2 . 3]" 1
186 1 13 LYS HA 1 13 LYS QE 1.800 . 6.000 3.654 2.473 5.112 . 0 0 "[ . 1 . 2 . 3]" 1
187 1 13 LYS HA 1 13 LYS HG2 1.800 . 4.000 2.914 1.952 3.667 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 13 LYS HA 1 14 SER H 1.800 . 2.700 2.583 2.115 2.877 0.177 4 0 "[ . 1 . 2 . 3]" 1
189 1 13 LYS HA 1 14 SER HB2 1.800 . 5.500 5.193 3.820 5.603 0.103 29 0 "[ . 1 . 2 . 3]" 1
190 1 13 LYS HA 1 15 ILE H 1.800 . 5.500 4.604 2.976 5.693 0.193 7 0 "[ . 1 . 2 . 3]" 1
191 1 13 LYS HA 1 16 GLN QB 1.800 . 6.000 5.904 4.293 6.442 0.442 11 0 "[ . 1 . 2 . 3]" 1
192 1 13 LYS HA 1 16 GLN QG 1.800 . 6.000 5.881 4.308 6.212 0.212 22 0 "[ . 1 . 2 . 3]" 1
193 1 13 LYS HA 1 17 ASP H 1.800 . 5.500 5.764 5.203 5.905 0.405 18 0 "[ . 1 . 2 . 3]" 1
194 1 13 LYS HA 1 17 ASP QB 1.800 . 6.000 5.140 4.439 5.951 . 0 0 "[ . 1 . 2 . 3]" 1
195 1 13 LYS HB2 1 13 LYS QD 1.800 . 4.500 3.201 1.939 3.426 . 0 0 "[ . 1 . 2 . 3]" 1
196 1 13 LYS HB2 1 13 LYS QE 1.800 . 6.000 4.080 2.501 4.602 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 13 LYS HB2 1 15 ILE HA 1.800 . 5.500 5.540 5.089 6.058 0.558 16 1 "[ . 1 .+ 2 . 3]" 1
198 1 13 LYS HB3 1 13 LYS QD 1.800 . 4.500 2.370 2.083 3.124 . 0 0 "[ . 1 . 2 . 3]" 1
199 1 13 LYS QD 1 13 LYS QE 1.800 . 3.700 2.068 2.002 2.108 . 0 0 "[ . 1 . 2 . 3]" 1
200 1 13 LYS QD 1 16 GLN QG 1.800 . 6.500 6.344 4.210 6.647 0.147 21 0 "[ . 1 . 2 . 3]" 1
201 1 13 LYS QD 1 17 ASP QB 1.800 . 6.500 5.733 3.104 6.723 0.223 3 0 "[ . 1 . 2 . 3]" 1
202 1 13 LYS QE 1 13 LYS HG2 1.800 . 6.000 2.541 1.912 3.324 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 13 LYS QE 1 13 LYS HG3 1.800 . 6.000 2.512 2.056 3.186 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 13 LYS QE 1 14 SER H 1.800 . 6.000 5.146 3.471 6.010 0.010 5 0 "[ . 1 . 2 . 3]" 1
205 1 14 SER H 1 14 SER HA 1.800 . 2.700 2.584 2.331 2.889 0.189 3 0 "[ . 1 . 2 . 3]" 1
206 1 14 SER H 1 14 SER HB2 1.800 . 4.000 3.282 2.724 3.977 . 0 0 "[ . 1 . 2 . 3]" 1
207 1 14 SER H 1 14 SER HB3 1.800 . 4.000 3.613 2.845 3.974 . 0 0 "[ . 1 . 2 . 3]" 1
208 1 14 SER H 1 15 ILE H 1.800 . 4.000 3.369 2.397 3.805 . 0 0 "[ . 1 . 2 . 3]" 1
209 1 14 SER H 1 17 ASP QB 1.800 . 6.000 4.516 2.702 5.309 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 14 SER HA 1 15 ILE H 1.800 . 2.700 2.401 2.144 2.684 . 0 0 "[ . 1 . 2 . 3]" 1
211 1 14 SER HA 1 15 ILE HB 1.800 . 5.500 5.237 3.975 5.867 0.367 19 0 "[ . 1 . 2 . 3]" 1
212 1 14 SER HA 1 15 ILE HG12 1.800 . 5.500 5.251 4.112 5.856 0.356 15 0 "[ . 1 . 2 . 3]" 1
213 1 14 SER HA 1 15 ILE HG13 1.800 . 5.500 4.644 3.441 5.732 0.232 6 0 "[ . 1 . 2 . 3]" 1
214 1 14 SER HA 1 15 ILE MG 1.800 . 6.500 5.131 3.822 5.516 . 0 0 "[ . 1 . 2 . 3]" 1
215 1 14 SER HA 1 16 GLN QG 1.800 . 6.000 4.821 2.609 6.106 0.106 19 0 "[ . 1 . 2 . 3]" 1
216 1 14 SER HA 1 17 ASP H 1.800 . 4.000 3.231 2.312 4.460 0.460 5 0 "[ . 1 . 2 . 3]" 1
217 1 14 SER HA 1 17 ASP QB 1.800 . 6.000 3.130 1.744 5.650 0.056 3 0 "[ . 1 . 2 . 3]" 1
218 1 14 SER HB2 1 15 ILE H 1.800 . 5.500 4.262 3.976 4.686 . 0 0 "[ . 1 . 2 . 3]" 1
219 1 14 SER HB2 1 17 ASP QB 1.800 . 6.000 3.916 2.812 5.538 . 0 0 "[ . 1 . 2 . 3]" 1
220 1 14 SER HB3 1 15 ILE H 1.800 . 5.500 4.328 4.028 4.653 . 0 0 "[ . 1 . 2 . 3]" 1
221 1 14 SER HB3 1 16 GLN QB 1.800 . 6.000 5.104 1.979 6.417 0.417 2 0 "[ . 1 . 2 . 3]" 1
222 1 14 SER HB3 1 17 ASP H 1.800 . 5.500 4.179 2.746 5.736 0.236 19 0 "[ . 1 . 2 . 3]" 1
223 1 14 SER HB3 1 17 ASP QB 1.800 . 6.000 3.246 1.828 5.698 . 0 0 "[ . 1 . 2 . 3]" 1
224 1 15 ILE H 1 15 ILE HB 1.800 . 4.000 3.021 2.071 3.912 . 0 0 "[ . 1 . 2 . 3]" 1
225 1 15 ILE H 1 15 ILE MD 1.800 . 5.000 2.769 1.775 4.311 0.025 16 0 "[ . 1 . 2 . 3]" 1
226 1 15 ILE H 1 15 ILE HG12 1.800 . 4.000 3.116 1.897 3.903 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 15 ILE H 1 15 ILE HG13 1.800 . 4.000 2.587 1.715 3.624 0.085 16 0 "[ . 1 . 2 . 3]" 1
228 1 15 ILE H 1 15 ILE MG 1.800 . 3.700 3.549 1.990 3.812 0.112 2 0 "[ . 1 . 2 . 3]" 1
229 1 15 ILE HA 1 15 ILE HB 1.800 . 2.700 2.822 2.452 2.940 0.240 14 0 "[ . 1 . 2 . 3]" 1
230 1 15 ILE HA 1 15 ILE MD 1.800 . 5.000 3.230 2.304 3.990 . 0 0 "[ . 1 . 2 . 3]" 1
231 1 15 ILE HA 1 15 ILE HG12 1.800 . 4.000 3.412 1.882 4.151 0.151 20 0 "[ . 1 . 2 . 3]" 1
232 1 15 ILE HA 1 15 ILE HG13 1.800 . 4.000 3.389 3.118 4.048 0.048 28 0 "[ . 1 . 2 . 3]" 1
233 1 15 ILE HA 1 15 ILE MG 1.800 . 3.700 2.264 1.913 2.918 . 0 0 "[ . 1 . 2 . 3]" 1
234 1 15 ILE HA 1 16 GLN QB 1.800 . 6.000 5.232 4.862 5.433 . 0 0 "[ . 1 . 2 . 3]" 1
235 1 15 ILE HA 1 16 GLN QG 1.800 . 6.000 5.159 4.787 6.221 0.221 2 0 "[ . 1 . 2 . 3]" 1
236 1 15 ILE HA 1 17 ASP H 1.800 . 5.500 3.690 3.226 3.912 . 0 0 "[ . 1 . 2 . 3]" 1
237 1 15 ILE HA 1 17 ASP QB 1.800 . 6.000 4.706 3.994 4.989 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 15 ILE HA 1 18 LEU H 1.800 . 2.700 2.699 2.213 2.877 0.177 8 0 "[ . 1 . 2 . 3]" 1
239 1 15 ILE HA 1 18 LEU QB 1.800 . 6.000 1.955 1.766 2.439 0.034 2 0 "[ . 1 . 2 . 3]" 1
240 1 15 ILE HB 1 15 ILE MD 1.800 . 6.500 2.473 1.860 3.171 . 0 0 "[ . 1 . 2 . 3]" 1
241 1 15 ILE HB 1 16 GLN QG 1.800 . 6.000 4.042 3.015 6.179 0.179 11 0 "[ . 1 . 2 . 3]" 1
242 1 15 ILE MD 1 16 GLN HE21 1.800 . 6.500 4.707 2.139 6.682 0.182 13 0 "[ . 1 . 2 . 3]" 1
243 1 15 ILE MD 1 16 GLN QG 1.800 . 7.000 3.639 1.711 6.516 0.089 19 0 "[ . 1 . 2 . 3]" 1
244 1 15 ILE MD 1 17 ASP HA 1.800 . 6.500 6.165 5.519 6.647 0.147 21 0 "[ . 1 . 2 . 3]" 1
245 1 15 ILE MD 1 17 ASP QB 1.800 . 7.000 5.002 4.129 6.158 . 0 0 "[ . 1 . 2 . 3]" 1
246 1 15 ILE MD 1 19 ARG QH1 1.800 . 7.000 6.596 3.538 7.064 0.064 12 0 "[ . 1 . 2 . 3]" 1
247 1 15 ILE MD 1 19 ARG QH2 1.800 . 7.000 5.417 3.495 7.044 0.044 28 0 "[ . 1 . 2 . 3]" 1
248 1 15 ILE MD 1 21 ARG HE 1.800 . 6.500 6.521 6.002 6.736 0.236 19 0 "[ . 1 . 2 . 3]" 1
249 1 15 ILE MD 1 21 ARG QH1 1.800 . 7.000 7.233 5.666 8.169 1.169 5 10 "[ * + 1***-. ** ** 3]" 1
250 1 15 ILE HG12 1 15 ILE MG 1.800 . 5.000 2.538 1.928 3.194 . 0 0 "[ . 1 . 2 . 3]" 1
251 1 15 ILE HG12 1 17 ASP H 1.800 . 5.500 5.408 4.174 6.083 0.583 22 1 "[ . 1 . 2 + . 3]" 1
252 1 15 ILE MG 1 16 GLN HE21 1.800 . 6.500 5.474 3.525 6.537 0.037 2 0 "[ . 1 . 2 . 3]" 1
253 1 15 ILE MG 1 16 GLN QG 1.800 . 7.000 4.738 4.289 6.434 . 0 0 "[ . 1 . 2 . 3]" 1
254 1 15 ILE MG 1 17 ASP QB 1.800 . 7.000 5.695 5.185 5.876 . 0 0 "[ . 1 . 2 . 3]" 1
255 1 15 ILE MG 1 19 ARG H 1.800 . 6.500 4.683 3.124 5.610 . 0 0 "[ . 1 . 2 . 3]" 1
256 1 15 ILE MG 1 19 ARG QH1 1.800 . 7.000 6.218 4.554 8.009 1.009 27 4 "[ *. *1 . 2 - + 3]" 1
257 1 15 ILE MG 1 21 ARG QH1 1.800 . 7.000 7.429 5.289 9.041 2.041 13 12 "[* * * ***+*. *- *. * 3]" 1
258 1 16 GLN H 1 16 GLN QB 1.800 . 3.200 2.373 1.962 2.784 . 0 0 "[ . 1 . 2 . 3]" 1
259 1 16 GLN H 1 16 GLN HE21 1.800 . 5.500 4.108 2.086 5.085 . 0 0 "[ . 1 . 2 . 3]" 1
260 1 16 GLN H 1 16 GLN QG 1.800 . 4.500 2.477 1.781 3.837 0.019 14 0 "[ . 1 . 2 . 3]" 1
261 1 16 GLN H 1 17 ASP QB 1.800 . 6.000 4.376 3.880 5.165 . 0 0 "[ . 1 . 2 . 3]" 1
262 1 16 GLN HA 1 16 GLN HE21 1.800 . 5.500 3.555 1.849 5.133 . 0 0 "[ . 1 . 2 . 3]" 1
263 1 16 GLN HA 1 16 GLN HE22 1.800 . 5.500 4.309 3.236 5.752 0.252 29 0 "[ . 1 . 2 . 3]" 1
264 1 16 GLN HA 1 16 GLN QG 1.800 . 4.500 2.746 2.254 3.374 . 0 0 "[ . 1 . 2 . 3]" 1
265 1 16 GLN HA 1 17 ASP H 1.800 . 4.000 3.495 3.442 3.575 . 0 0 "[ . 1 . 2 . 3]" 1
266 1 16 GLN HA 1 17 ASP HA 1.800 . 5.500 4.679 4.637 4.712 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 16 GLN HA 1 17 ASP QB 1.800 . 6.000 5.292 5.142 5.585 . 0 0 "[ . 1 . 2 . 3]" 1
268 1 16 GLN HA 1 19 ARG H 1.800 . 4.000 3.896 3.664 4.072 0.072 14 0 "[ . 1 . 2 . 3]" 1
269 1 16 GLN HA 1 20 ARG H 1.800 . 5.500 4.865 3.786 5.300 . 0 0 "[ . 1 . 2 . 3]" 1
270 1 16 GLN QB 1 16 GLN HE21 1.800 . 6.000 3.449 1.834 4.111 . 0 0 "[ . 1 . 2 . 3]" 1
271 1 16 GLN QB 1 16 GLN QG 1.800 . 3.700 2.037 1.984 2.106 . 0 0 "[ . 1 . 2 . 3]" 1
272 1 16 GLN QB 1 17 ASP H 1.800 . 6.000 2.659 2.324 2.881 . 0 0 "[ . 1 . 2 . 3]" 1
273 1 16 GLN QB 1 17 ASP HA 1.800 . 6.000 4.069 3.800 4.710 . 0 0 "[ . 1 . 2 . 3]" 1
274 1 16 GLN QB 1 17 ASP QB 1.800 . 6.500 3.906 3.349 4.703 . 0 0 "[ . 1 . 2 . 3]" 1
275 1 16 GLN QB 1 18 LEU H 1.800 . 6.000 4.730 4.487 4.977 . 0 0 "[ . 1 . 2 . 3]" 1
276 1 16 GLN QG 1 17 ASP H 1.800 . 6.000 3.623 2.269 4.436 . 0 0 "[ . 1 . 2 . 3]" 1
277 1 16 GLN QG 1 17 ASP HA 1.800 . 6.000 5.303 2.996 5.861 . 0 0 "[ . 1 . 2 . 3]" 1
278 1 16 GLN QG 1 17 ASP QB 1.800 . 6.500 4.905 2.740 5.812 . 0 0 "[ . 1 . 2 . 3]" 1
279 1 16 GLN QG 1 18 LEU H 1.800 . 6.000 5.345 4.452 6.099 0.099 6 0 "[ . 1 . 2 . 3]" 1
280 1 16 GLN QG 1 19 ARG H 1.800 . 6.000 5.569 4.861 5.940 . 0 0 "[ . 1 . 2 . 3]" 1
281 1 16 GLN QG 1 19 ARG QD 1.800 . 6.500 5.353 3.871 6.230 . 0 0 "[ . 1 . 2 . 3]" 1
282 1 17 ASP H 1 18 LEU H 1.800 . 4.000 2.350 2.113 2.545 . 0 0 "[ . 1 . 2 . 3]" 1
283 1 17 ASP H 1 19 ARG HB2 1.800 . 5.500 5.620 5.500 5.707 0.207 15 0 "[ . 1 . 2 . 3]" 1
284 1 17 ASP H 1 20 ARG HB3 1.800 . 5.500 5.599 5.552 5.655 0.155 9 0 "[ . 1 . 2 . 3]" 1
285 1 17 ASP HA 1 18 LEU H 1.800 . 4.000 3.581 3.540 3.606 . 0 0 "[ . 1 . 2 . 3]" 1
286 1 17 ASP HA 1 19 ARG H 1.800 . 5.500 3.540 3.380 3.754 . 0 0 "[ . 1 . 2 . 3]" 1
287 1 17 ASP HA 1 19 ARG HB2 1.800 . 5.500 5.549 5.235 5.686 0.186 28 0 "[ . 1 . 2 . 3]" 1
288 1 17 ASP HA 1 19 ARG HB3 1.800 . 4.000 3.850 3.542 4.077 0.077 28 0 "[ . 1 . 2 . 3]" 1
289 1 17 ASP HA 1 19 ARG QD 1.800 . 6.000 4.887 4.561 5.313 . 0 0 "[ . 1 . 2 . 3]" 1
290 1 17 ASP HA 1 19 ARG HE 1.800 . 5.500 5.427 4.409 5.551 0.051 15 0 "[ . 1 . 2 . 3]" 1
291 1 17 ASP HA 1 19 ARG QG 1.800 . 4.500 4.608 4.564 4.680 0.180 28 0 "[ . 1 . 2 . 3]" 1
292 1 17 ASP HA 1 20 ARG H 1.800 . 4.000 2.581 2.342 2.814 . 0 0 "[ . 1 . 2 . 3]" 1
293 1 17 ASP HA 1 21 ARG H 1.800 . 5.500 3.911 3.070 4.469 . 0 0 "[ . 1 . 2 . 3]" 1
294 1 17 ASP HA 1 21 ARG HB2 1.800 . 5.500 5.274 4.613 5.577 0.077 6 0 "[ . 1 . 2 . 3]" 1
295 1 17 ASP HA 1 21 ARG QD 1.800 . 6.000 4.898 3.497 6.063 0.063 29 0 "[ . 1 . 2 . 3]" 1
296 1 17 ASP QB 1 18 LEU H 1.800 . 4.500 2.681 2.379 2.851 . 0 0 "[ . 1 . 2 . 3]" 1
297 1 17 ASP QB 1 19 ARG H 1.800 . 6.000 4.248 4.170 4.384 . 0 0 "[ . 1 . 2 . 3]" 1
298 1 17 ASP QB 1 19 ARG HB3 1.800 . 6.000 5.238 5.170 5.325 . 0 0 "[ . 1 . 2 . 3]" 1
299 1 17 ASP QB 1 19 ARG QD 1.800 . 6.500 6.397 6.203 6.530 0.030 1 0 "[ . 1 . 2 . 3]" 1
300 1 17 ASP QB 1 19 ARG QG 1.800 . 6.500 6.140 6.014 6.225 . 0 0 "[ . 1 . 2 . 3]" 1
301 1 17 ASP QB 1 20 ARG H 1.800 . 6.000 4.358 3.947 4.729 . 0 0 "[ . 1 . 2 . 3]" 1
302 1 17 ASP QB 1 21 ARG H 1.800 . 6.000 4.459 3.612 5.181 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 17 ASP QB 1 21 ARG HB2 1.800 . 6.000 4.745 4.094 5.749 . 0 0 "[ . 1 . 2 . 3]" 1
304 1 18 LEU H 1 18 LEU QB 1.800 . 4.500 2.203 2.093 2.321 . 0 0 "[ . 1 . 2 . 3]" 1
305 1 18 LEU H 1 18 LEU QD 1.800 . 5.000 3.195 2.064 3.772 . 0 0 "[ . 1 . 2 . 3]" 1
306 1 18 LEU H 1 19 ARG HB2 1.800 . 5.500 5.295 5.095 5.455 . 0 0 "[ . 1 . 2 . 3]" 1
307 1 18 LEU HA 1 18 LEU QD 1.800 . 3.700 2.086 1.742 3.270 0.058 3 0 "[ . 1 . 2 . 3]" 1
308 1 18 LEU HA 1 19 ARG H 1.800 . 4.000 3.442 3.405 3.455 . 0 0 "[ . 1 . 2 . 3]" 1
309 1 18 LEU HA 1 21 ARG H 1.800 . 4.000 3.307 2.915 3.865 . 0 0 "[ . 1 . 2 . 3]" 1
310 1 18 LEU HA 1 22 PHE H 1.800 . 5.500 4.490 3.880 4.920 . 0 0 "[ . 1 . 2 . 3]" 1
311 1 18 LEU HA 1 22 PHE QD 1.800 . 6.000 4.893 4.184 5.235 . 0 0 "[ . 1 . 2 . 3]" 1
312 1 18 LEU QB 1 18 LEU QD 1.800 . 4.200 1.938 1.771 2.090 0.029 25 0 "[ . 1 . 2 . 3]" 1
313 1 18 LEU QB 1 21 ARG H 1.800 . 6.000 4.769 4.471 5.054 . 0 0 "[ . 1 . 2 . 3]" 1
314 1 18 LEU QB 1 22 PHE QE 1.800 . 6.500 3.338 1.894 4.534 . 0 0 "[ . 1 . 2 . 3]" 1
315 1 18 LEU MD1 1 19 ARG H 1.800 . 6.500 4.379 3.080 4.829 . 0 0 "[ . 1 . 2 . 3]" 1
316 1 18 LEU MD1 1 20 ARG H 1.800 . 6.500 5.766 4.791 6.486 . 0 0 "[ . 1 . 2 . 3]" 1
317 1 18 LEU MD1 1 21 ARG QD 1.800 . 7.000 3.854 1.896 5.966 . 0 0 "[ . 1 . 2 . 3]" 1
318 1 18 LEU MD1 1 21 ARG QH2 1.800 . 7.000 3.693 1.778 5.433 0.022 13 0 "[ . 1 . 2 . 3]" 1
319 1 18 LEU MD1 1 22 PHE HB2 1.800 . 6.500 5.376 3.972 6.005 . 0 0 "[ . 1 . 2 . 3]" 1
320 1 18 LEU MD1 1 22 PHE HB3 1.800 . 6.500 6.013 4.856 6.552 0.052 11 0 "[ . 1 . 2 . 3]" 1
321 1 18 LEU MD1 1 22 PHE QD 1.800 . 7.000 3.791 2.401 4.387 . 0 0 "[ . 1 . 2 . 3]" 1
322 1 18 LEU MD1 1 22 PHE HZ 1.800 . 6.500 2.391 1.815 3.659 . 0 0 "[ . 1 . 2 . 3]" 1
323 1 18 LEU MD2 1 19 ARG H 1.800 . 6.500 4.270 3.586 4.813 . 0 0 "[ . 1 . 2 . 3]" 1
324 1 18 LEU MD2 1 20 ARG H 1.800 . 6.500 5.938 5.003 6.563 0.063 2 0 "[ . 1 . 2 . 3]" 1
325 1 18 LEU MD2 1 21 ARG QD 1.800 . 7.000 4.451 1.805 6.559 . 0 0 "[ . 1 . 2 . 3]" 1
326 1 18 LEU MD2 1 22 PHE QD 1.800 . 7.000 4.682 3.313 5.846 . 0 0 "[ . 1 . 2 . 3]" 1
327 1 18 LEU MD2 1 22 PHE HZ 1.800 . 6.500 4.004 1.806 5.484 . 0 0 "[ . 1 . 2 . 3]" 1
328 1 19 ARG H 1 19 ARG HB2 1.800 . 4.000 2.901 2.768 2.975 . 0 0 "[ . 1 . 2 . 3]" 1
329 1 19 ARG H 1 19 ARG HB3 1.800 . 2.700 2.062 2.017 2.103 . 0 0 "[ . 1 . 2 . 3]" 1
330 1 19 ARG H 1 19 ARG QD 1.800 . 4.500 4.574 4.522 4.699 0.199 1 0 "[ . 1 . 2 . 3]" 1
331 1 19 ARG H 1 19 ARG HE 1.800 . 5.500 4.060 3.623 4.338 . 0 0 "[ . 1 . 2 . 3]" 1
332 1 19 ARG H 1 19 ARG QG 1.800 . 4.500 3.739 3.693 3.802 . 0 0 "[ . 1 . 2 . 3]" 1
333 1 19 ARG H 1 21 ARG H 1.800 . 5.500 3.619 3.321 3.900 . 0 0 "[ . 1 . 2 . 3]" 1
334 1 19 ARG H 1 21 ARG QD 1.800 . 6.000 5.293 4.285 5.937 . 0 0 "[ . 1 . 2 . 3]" 1
335 1 19 ARG HA 1 19 ARG QD 1.800 . 4.500 4.458 4.415 4.512 0.012 6 0 "[ . 1 . 2 . 3]" 1
336 1 19 ARG HA 1 19 ARG HE 1.800 . 5.500 4.644 4.185 5.115 . 0 0 "[ . 1 . 2 . 3]" 1
337 1 19 ARG HA 1 19 ARG QH2 1.800 . 6.000 5.464 3.795 6.452 0.452 20 0 "[ . 1 . 2 . 3]" 1
338 1 19 ARG HA 1 20 ARG H 1.800 . 4.000 3.575 3.548 3.594 . 0 0 "[ . 1 . 2 . 3]" 1
339 1 19 ARG HA 1 22 PHE H 1.800 . 4.000 3.371 3.234 3.569 . 0 0 "[ . 1 . 2 . 3]" 1
340 1 19 ARG HA 1 22 PHE HA 1.800 . 5.500 5.556 5.401 5.646 0.146 28 0 "[ . 1 . 2 . 3]" 1
341 1 19 ARG HA 1 22 PHE HB2 1.800 . 5.500 2.956 2.789 3.109 . 0 0 "[ . 1 . 2 . 3]" 1
342 1 19 ARG HA 1 23 PHE H 1.800 . 4.000 4.104 4.046 4.165 0.165 28 0 "[ . 1 . 2 . 3]" 1
343 1 19 ARG HA 1 23 PHE HA 1.800 . 5.500 5.485 5.034 5.598 0.098 6 0 "[ . 1 . 2 . 3]" 1
344 1 19 ARG HB2 1 19 ARG QD 1.800 . 4.500 3.132 3.054 3.194 . 0 0 "[ . 1 . 2 . 3]" 1
345 1 19 ARG HB2 1 19 ARG HE 1.800 . 4.000 2.429 1.862 3.180 . 0 0 "[ . 1 . 2 . 3]" 1
346 1 19 ARG HB2 1 19 ARG QH2 1.800 . 6.000 3.474 1.924 4.452 . 0 0 "[ . 1 . 2 . 3]" 1
347 1 19 ARG HB3 1 19 ARG QD 1.800 . 4.500 2.742 2.656 2.966 . 0 0 "[ . 1 . 2 . 3]" 1
348 1 19 ARG HB3 1 19 ARG HE 1.800 . 4.000 2.292 1.868 2.546 . 0 0 "[ . 1 . 2 . 3]" 1
349 1 19 ARG HB3 1 19 ARG QH1 1.800 . 6.000 3.965 3.041 4.723 . 0 0 "[ . 1 . 2 . 3]" 1
350 1 19 ARG HB3 1 19 ARG QH2 1.800 . 6.000 4.134 3.170 4.708 . 0 0 "[ . 1 . 2 . 3]" 1
351 1 19 ARG HB3 1 20 ARG H 1.800 . 4.000 2.520 2.198 2.764 . 0 0 "[ . 1 . 2 . 3]" 1
352 1 19 ARG HB3 1 23 PHE QE 1.800 . 6.000 4.949 4.336 6.015 0.015 4 0 "[ . 1 . 2 . 3]" 1
353 1 19 ARG QD 1 19 ARG QG 1.800 . 5.000 1.955 1.927 1.968 . 0 0 "[ . 1 . 2 . 3]" 1
354 1 19 ARG QD 1 19 ARG QH1 1.800 . 6.500 2.284 1.884 2.870 . 0 0 "[ . 1 . 2 . 3]" 1
355 1 19 ARG QD 1 19 ARG QH2 1.800 . 6.500 3.371 2.912 3.555 . 0 0 "[ . 1 . 2 . 3]" 1
356 1 19 ARG QD 1 20 ARG H 1.800 . 6.000 3.753 3.392 4.060 . 0 0 "[ . 1 . 2 . 3]" 1
357 1 19 ARG QD 1 20 ARG HA 1.800 . 6.000 4.478 4.194 4.707 . 0 0 "[ . 1 . 2 . 3]" 1
358 1 19 ARG QG 1 19 ARG QH1 1.800 . 6.500 2.917 1.907 4.364 . 0 0 "[ . 1 . 2 . 3]" 1
359 1 19 ARG QG 1 19 ARG QH2 1.800 . 6.500 4.157 3.399 4.563 . 0 0 "[ . 1 . 2 . 3]" 1
360 1 19 ARG QG 1 22 PHE HB2 1.800 . 6.000 4.112 3.739 4.533 . 0 0 "[ . 1 . 2 . 3]" 1
361 1 19 ARG QG 1 22 PHE QD 1.800 . 6.500 4.596 4.292 5.094 . 0 0 "[ . 1 . 2 . 3]" 1
362 1 19 ARG QG 1 23 PHE HB2 1.800 . 6.000 4.429 4.162 4.598 . 0 0 "[ . 1 . 2 . 3]" 1
363 1 20 ARG H 1 20 ARG HB2 1.800 . 4.000 3.396 2.107 3.614 . 0 0 "[ . 1 . 2 . 3]" 1
364 1 20 ARG H 1 20 ARG HB3 1.800 . 4.000 2.371 2.132 3.378 . 0 0 "[ . 1 . 2 . 3]" 1
365 1 20 ARG H 1 20 ARG QD 1.800 . 4.500 4.277 3.354 4.573 0.073 27 0 "[ . 1 . 2 . 3]" 1
366 1 20 ARG H 1 20 ARG HE 1.800 . 5.500 5.189 4.004 5.571 0.071 26 0 "[ . 1 . 2 . 3]" 1
367 1 20 ARG H 1 20 ARG QG 1.800 . 6.000 2.828 2.465 3.927 . 0 0 "[ . 1 . 2 . 3]" 1
368 1 20 ARG H 1 21 ARG H 1.800 . 4.000 2.590 2.317 2.770 . 0 0 "[ . 1 . 2 . 3]" 1
369 1 20 ARG H 1 23 PHE HB2 1.800 . 5.500 4.569 4.380 4.835 . 0 0 "[ . 1 . 2 . 3]" 1
370 1 20 ARG HA 1 20 ARG QD 1.800 . 4.500 3.864 2.462 4.441 . 0 0 "[ . 1 . 2 . 3]" 1
371 1 20 ARG HA 1 20 ARG HE 1.800 . 5.500 5.125 4.428 5.557 0.057 6 0 "[ . 1 . 2 . 3]" 1
372 1 20 ARG HA 1 20 ARG QG 1.800 . 6.000 3.150 2.101 3.361 . 0 0 "[ . 1 . 2 . 3]" 1
373 1 20 ARG HA 1 22 PHE HB2 1.800 . 5.500 4.847 4.586 5.153 . 0 0 "[ . 1 . 2 . 3]" 1
374 1 20 ARG HA 1 23 PHE H 1.800 . 4.000 2.345 2.164 2.587 . 0 0 "[ . 1 . 2 . 3]" 1
375 1 20 ARG HA 1 23 PHE HZ 1.800 . 5.500 4.996 4.693 5.526 0.026 9 0 "[ . 1 . 2 . 3]" 1
376 1 20 ARG HA 1 24 LEU H 1.800 . 5.500 4.450 4.256 4.660 . 0 0 "[ . 1 . 2 . 3]" 1
377 1 20 ARG HB2 1 20 ARG QD 1.800 . 4.500 2.273 1.866 3.478 . 0 0 "[ . 1 . 2 . 3]" 1
378 1 20 ARG HB2 1 20 ARG HE 1.800 . 4.000 3.245 2.463 3.989 . 0 0 "[ . 1 . 2 . 3]" 1
379 1 20 ARG HB2 1 20 ARG QH2 1.800 . 6.000 4.764 3.089 5.635 . 0 0 "[ . 1 . 2 . 3]" 1
380 1 20 ARG HB3 1 20 ARG QD 1.800 . 4.500 2.755 2.059 3.251 . 0 0 "[ . 1 . 2 . 3]" 1
381 1 20 ARG HB3 1 20 ARG HE 1.800 . 4.000 3.527 2.368 4.021 0.021 15 0 "[ . 1 . 2 . 3]" 1
382 1 20 ARG HB3 1 20 ARG QH1 1.800 . 6.000 4.887 3.123 5.721 . 0 0 "[ . 1 . 2 . 3]" 1
383 1 20 ARG HB3 1 23 PHE H 1.800 . 5.500 4.732 4.490 4.995 . 0 0 "[ . 1 . 2 . 3]" 1
384 1 20 ARG HB3 1 23 PHE HA 1.800 . 5.500 5.727 5.646 5.900 0.400 27 0 "[ . 1 . 2 . 3]" 1
385 1 20 ARG HB3 1 23 PHE QD 1.800 . 6.000 4.047 2.917 4.754 . 0 0 "[ . 1 . 2 . 3]" 1
386 1 20 ARG HB3 1 23 PHE QE 1.800 . 6.000 4.354 2.824 5.899 . 0 0 "[ . 1 . 2 . 3]" 1
387 1 20 ARG QD 1 20 ARG QG 1.800 . 5.000 2.050 2.036 2.056 . 0 0 "[ . 1 . 2 . 3]" 1
388 1 20 ARG QD 1 20 ARG QH1 1.800 . 6.500 2.182 1.835 2.738 . 0 0 "[ . 1 . 2 . 3]" 1
389 1 20 ARG QD 1 20 ARG QH2 1.800 . 6.500 3.320 2.776 3.600 . 0 0 "[ . 1 . 2 . 3]" 1
390 1 20 ARG QD 1 23 PHE HZ 1.800 . 6.000 5.877 3.789 6.134 0.134 24 0 "[ . 1 . 2 . 3]" 1
391 1 20 ARG QG 1 20 ARG QH2 1.800 . 6.500 3.785 2.537 4.216 . 0 0 "[ . 1 . 2 . 3]" 1
392 1 20 ARG QH2 1 24 LEU QD 1.800 . 7.000 5.948 3.891 8.097 1.097 14 4 "[- . 1* +. * . 3]" 1
393 1 21 ARG H 1 21 ARG HB2 1.800 . 4.000 2.142 2.093 2.236 . 0 0 "[ . 1 . 2 . 3]" 1
394 1 21 ARG H 1 21 ARG HB3 1.800 . 4.000 3.395 3.110 3.517 . 0 0 "[ . 1 . 2 . 3]" 1
395 1 21 ARG H 1 21 ARG QD 1.800 . 4.500 3.226 2.034 4.431 . 0 0 "[ . 1 . 2 . 3]" 1
396 1 21 ARG H 1 21 ARG HE 1.800 . 5.500 3.828 2.487 5.105 . 0 0 "[ . 1 . 2 . 3]" 1
397 1 21 ARG H 1 21 ARG QG 1.800 . 6.000 3.539 2.938 4.004 . 0 0 "[ . 1 . 2 . 3]" 1
398 1 21 ARG HA 1 21 ARG QD 1.800 . 4.500 3.172 1.948 4.023 . 0 0 "[ . 1 . 2 . 3]" 1
399 1 21 ARG HA 1 21 ARG HE 1.800 . 5.500 4.748 3.756 5.375 . 0 0 "[ . 1 . 2 . 3]" 1
400 1 21 ARG HA 1 21 ARG QG 1.800 . 6.000 2.108 1.926 2.391 . 0 0 "[ . 1 . 2 . 3]" 1
401 1 21 ARG HA 1 21 ARG QH2 1.800 . 6.000 5.451 3.496 6.720 0.720 29 2 "[ . - . 2 . +3]" 1
402 1 21 ARG HA 1 22 PHE QD 1.800 . 6.000 5.085 4.314 5.420 . 0 0 "[ . 1 . 2 . 3]" 1
403 1 21 ARG HA 1 23 PHE HB2 1.800 . 5.500 4.523 4.199 4.714 . 0 0 "[ . 1 . 2 . 3]" 1
404 1 21 ARG HA 1 24 LEU H 1.800 . 5.500 5.322 5.060 5.516 0.016 4 0 "[ . 1 . 2 . 3]" 1
405 1 21 ARG HA 1 25 HIS H 1.800 . 5.500 5.632 5.561 5.723 0.223 4 0 "[ . 1 . 2 . 3]" 1
406 1 21 ARG QB 1 22 PHE QD 1.800 . 6.500 3.491 2.613 3.708 . 0 0 "[ . 1 . 2 . 3]" 1
407 1 21 ARG HB2 1 21 ARG QD 1.800 . 4.500 2.416 2.136 2.915 . 0 0 "[ . 1 . 2 . 3]" 1
408 1 21 ARG HB2 1 21 ARG HE 1.800 . 4.000 2.613 1.939 3.296 . 0 0 "[ . 1 . 2 . 3]" 1
409 1 21 ARG HB2 1 21 ARG QH2 1.800 . 6.000 4.015 2.892 5.321 . 0 0 "[ . 1 . 2 . 3]" 1
410 1 21 ARG HB2 1 22 PHE HB2 1.800 . 5.500 5.197 4.882 5.534 0.034 7 0 "[ . 1 . 2 . 3]" 1
411 1 21 ARG HB2 1 22 PHE QD 1.800 . 6.000 4.345 2.814 4.743 . 0 0 "[ . 1 . 2 . 3]" 1
412 1 21 ARG HB2 1 22 PHE QE 1.800 . 6.000 4.362 3.341 4.817 . 0 0 "[ . 1 . 2 . 3]" 1
413 1 21 ARG HB3 1 21 ARG QD 1.800 . 4.500 3.156 2.222 3.475 . 0 0 "[ . 1 . 2 . 3]" 1
414 1 21 ARG HB3 1 21 ARG HE 1.800 . 4.000 3.794 2.019 4.159 0.159 4 0 "[ . 1 . 2 . 3]" 1
415 1 21 ARG HB3 1 21 ARG QH1 1.800 . 6.000 4.983 2.501 5.930 . 0 0 "[ . 1 . 2 . 3]" 1
416 1 21 ARG HB3 1 21 ARG QH2 1.800 . 6.000 4.689 2.150 5.770 . 0 0 "[ . 1 . 2 . 3]" 1
417 1 21 ARG HB3 1 22 PHE HB2 1.800 . 5.500 5.196 4.837 5.492 . 0 0 "[ . 1 . 2 . 3]" 1
418 1 21 ARG HB3 1 22 PHE QD 1.800 . 6.000 3.696 2.877 3.992 . 0 0 "[ . 1 . 2 . 3]" 1
419 1 21 ARG HB3 1 22 PHE QE 1.800 . 6.000 3.602 2.778 3.929 . 0 0 "[ . 1 . 2 . 3]" 1
420 1 21 ARG HB3 1 23 PHE H 1.800 . 5.500 5.118 4.777 5.308 . 0 0 "[ . 1 . 2 . 3]" 1
421 1 21 ARG QD 1 21 ARG QG 1.800 . 5.000 2.041 1.973 2.056 . 0 0 "[ . 1 . 2 . 3]" 1
422 1 21 ARG QD 1 21 ARG QH1 1.800 . 6.500 2.398 1.839 3.244 . 0 0 "[ . 1 . 2 . 3]" 1
423 1 21 ARG QD 1 21 ARG QH2 1.800 . 6.500 3.343 2.915 3.698 . 0 0 "[ . 1 . 2 . 3]" 1
424 1 21 ARG QG 1 21 ARG QH2 1.800 . 6.500 3.265 2.109 4.455 . 0 0 "[ . 1 . 2 . 3]" 1
425 1 22 PHE H 1 22 PHE HB2 1.800 . 4.000 2.479 2.394 2.513 . 0 0 "[ . 1 . 2 . 3]" 1
426 1 22 PHE H 1 22 PHE HB3 1.800 . 4.000 3.657 3.622 3.673 . 0 0 "[ . 1 . 2 . 3]" 1
427 1 22 PHE H 1 22 PHE QD 1.800 . 6.000 3.117 1.791 3.252 0.009 28 0 "[ . 1 . 2 . 3]" 1
428 1 22 PHE H 1 22 PHE QE 1.800 . 4.500 4.467 3.981 4.535 0.035 18 0 "[ . 1 . 2 . 3]" 1
429 1 22 PHE H 1 22 PHE HZ 1.800 . 5.500 5.610 5.577 5.720 0.220 28 0 "[ . 1 . 2 . 3]" 1
430 1 22 PHE H 1 23 PHE QD 1.800 . 6.000 4.601 4.311 5.317 . 0 0 "[ . 1 . 2 . 3]" 1
431 1 22 PHE HA 1 22 PHE HB2 1.800 . 2.700 2.988 2.982 2.992 0.292 27 0 "[ . 1 . 2 . 3]" 1
432 1 22 PHE HA 1 22 PHE HB3 1.800 . 2.700 2.432 2.415 2.482 . 0 0 "[ . 1 . 2 . 3]" 1
433 1 22 PHE HA 1 22 PHE QD 1.800 . 4.500 1.930 1.802 3.002 . 0 0 "[ . 1 . 2 . 3]" 1
434 1 22 PHE HA 1 22 PHE QE 1.800 . 4.500 4.172 4.122 4.487 . 0 0 "[ . 1 . 2 . 3]" 1
435 1 22 PHE HA 1 25 HIS H 1.800 . 4.000 3.220 2.779 3.470 . 0 0 "[ . 1 . 2 . 3]" 1
436 1 22 PHE HA 1 26 HIS H 1.800 . 5.500 3.660 3.299 4.403 . 0 0 "[ . 1 . 2 . 3]" 1
437 1 22 PHE HB2 1 22 PHE QE 1.800 . 4.500 4.376 4.363 4.423 . 0 0 "[ . 1 . 2 . 3]" 1
438 1 22 PHE HB3 1 23 PHE H 1.800 . 4.000 3.984 3.899 4.052 0.052 4 0 "[ . 1 . 2 . 3]" 1
439 1 22 PHE QD 1 23 PHE H 1.800 . 6.000 4.309 3.893 4.384 . 0 0 "[ . 1 . 2 . 3]" 1
440 1 22 PHE QD 1 25 HIS HB2 1.800 . 6.000 3.125 2.713 3.616 . 0 0 "[ . 1 . 2 . 3]" 1
441 1 22 PHE QD 1 25 HIS HB3 1.800 . 6.000 3.008 2.115 4.181 . 0 0 "[ . 1 . 2 . 3]" 1
442 1 22 PHE QE 1 23 PHE H 1.800 . 6.000 6.072 6.032 6.114 0.114 14 0 "[ . 1 . 2 . 3]" 1
443 1 23 PHE H 1 23 PHE QD 1.800 . 6.000 2.937 2.659 3.791 . 0 0 "[ . 1 . 2 . 3]" 1
444 1 23 PHE H 1 23 PHE QE 1.800 . 6.000 5.126 4.842 5.471 . 0 0 "[ . 1 . 2 . 3]" 1
445 1 23 PHE HA 1 23 PHE QD 1.800 . 4.500 1.886 1.722 2.203 0.078 24 0 "[ . 1 . 2 . 3]" 1
446 1 23 PHE HA 1 23 PHE QE 1.800 . 6.000 3.990 3.973 4.088 . 0 0 "[ . 1 . 2 . 3]" 1
447 1 23 PHE HA 1 24 LEU HA 1.800 . 5.500 4.683 4.616 4.764 . 0 0 "[ . 1 . 2 . 3]" 1
448 1 23 PHE HA 1 24 LEU QD 1.800 . 6.500 4.617 3.757 5.174 . 0 0 "[ . 1 . 2 . 3]" 1
449 1 23 PHE HA 1 26 HIS H 1.800 . 4.000 4.068 3.859 4.193 0.193 9 0 "[ . 1 . 2 . 3]" 1
450 1 23 PHE HA 1 27 LEU H 1.800 . 5.500 4.570 3.953 4.839 . 0 0 "[ . 1 . 2 . 3]" 1
451 1 23 PHE HA 1 27 LEU QB 1.800 . 6.000 5.760 4.654 6.071 0.071 30 0 "[ . 1 . 2 . 3]" 1
452 1 23 PHE QD 1 24 LEU QD 1.800 . 7.000 3.431 2.162 4.104 . 0 0 "[ . 1 . 2 . 3]" 1
453 1 23 PHE QE 1 24 LEU QD 1.800 . 7.000 5.037 3.650 5.673 . 0 0 "[ . 1 . 2 . 3]" 1
454 1 24 LEU H 1 24 LEU QB 1.800 . 4.500 2.470 2.124 2.750 . 0 0 "[ . 1 . 2 . 3]" 1
455 1 24 LEU H 1 24 LEU QD 1.800 . 5.000 2.337 1.787 2.895 0.013 8 0 "[ . 1 . 2 . 3]" 1
456 1 24 LEU H 1 25 HIS H 1.800 . 5.500 2.577 2.179 2.841 . 0 0 "[ . 1 . 2 . 3]" 1
457 1 24 LEU H 1 25 HIS HA 1.800 . 5.500 5.228 4.916 5.444 . 0 0 "[ . 1 . 2 . 3]" 1
458 1 24 LEU H 1 25 HIS HB2 1.800 . 5.500 4.510 4.229 4.813 . 0 0 "[ . 1 . 2 . 3]" 1
459 1 24 LEU H 1 26 HIS H 1.800 . 5.500 4.103 3.711 4.545 . 0 0 "[ . 1 . 2 . 3]" 1
460 1 24 LEU H 1 27 LEU HG 1.800 . 5.500 5.346 3.908 5.524 0.024 18 0 "[ . 1 . 2 . 3]" 1
461 1 24 LEU HA 1 24 LEU QD 1.800 . 5.000 2.522 1.822 3.076 . 0 0 "[ . 1 . 2 . 3]" 1
462 1 24 LEU HA 1 25 HIS HA 1.800 . 5.500 4.864 4.757 4.955 . 0 0 "[ . 1 . 2 . 3]" 1
463 1 24 LEU HA 1 27 LEU H 1.800 . 4.000 3.494 2.910 3.960 . 0 0 "[ . 1 . 2 . 3]" 1
464 1 24 LEU HA 1 28 ILE H 1.800 . 5.500 4.163 2.869 5.553 0.053 25 0 "[ . 1 . 2 . 3]" 1
465 1 24 LEU QB 1 24 LEU QD 1.800 . 4.200 1.827 1.675 2.044 0.125 13 0 "[ . 1 . 2 . 3]" 1
466 1 24 LEU MD1 1 24 LEU MD2 1.800 . 5.500 1.976 1.838 2.073 . 0 0 "[ . 1 . 2 . 3]" 1
467 1 24 LEU QD 1 25 HIS HB2 1.800 . 6.800 5.091 4.309 5.553 . 0 0 "[ . 1 . 2 . 3]" 1
468 1 25 HIS H 1 25 HIS HB2 1.800 . 4.000 2.187 2.090 2.343 . 0 0 "[ . 1 . 2 . 3]" 1
469 1 25 HIS H 1 25 HIS HB3 1.800 . 4.000 3.179 2.829 3.562 . 0 0 "[ . 1 . 2 . 3]" 1
470 1 25 HIS H 1 25 HIS HD2 1.800 . 5.500 4.464 2.709 5.503 0.003 1 0 "[ . 1 . 2 . 3]" 1
471 1 25 HIS HA 1 25 HIS HD2 1.800 . 4.000 2.765 1.858 3.999 . 0 0 "[ . 1 . 2 . 3]" 1
472 1 25 HIS HA 1 25 HIS HE1 1.800 . 5.500 5.214 4.661 5.536 0.036 27 0 "[ . 1 . 2 . 3]" 1
473 1 25 HIS HA 1 29 ALA H 1.800 . 5.500 4.602 2.696 5.628 0.128 25 0 "[ . 1 . 2 . 3]" 1
474 1 25 HIS HB2 1 25 HIS HD2 1.800 . 4.000 3.667 2.921 4.005 0.005 29 0 "[ . 1 . 2 . 3]" 1
475 1 25 HIS HB2 1 25 HIS HE1 1.800 . 5.500 4.932 4.744 5.301 . 0 0 "[ . 1 . 2 . 3]" 1
476 1 25 HIS HB2 1 26 HIS H 1.800 . 5.500 3.449 2.677 3.880 . 0 0 "[ . 1 . 2 . 3]" 1
477 1 25 HIS HB3 1 25 HIS HD2 1.800 . 4.000 3.527 2.802 4.000 . 0 0 "[ . 1 . 2 . 3]" 1
478 1 25 HIS HB3 1 25 HIS HE1 1.800 . 5.500 5.001 4.747 5.350 . 0 0 "[ . 1 . 2 . 3]" 1
479 1 25 HIS HD2 1 26 HIS H 1.800 . 5.500 5.053 4.310 5.534 0.034 17 0 "[ . 1 . 2 . 3]" 1
480 1 26 HIS H 1 26 HIS HA 1.800 . 2.700 2.871 2.804 2.920 0.220 20 0 "[ . 1 . 2 . 3]" 1
481 1 26 HIS H 1 26 HIS HB2 1.800 . 4.000 2.235 2.135 2.762 . 0 0 "[ . 1 . 2 . 3]" 1
482 1 26 HIS H 1 26 HIS HB3 1.800 . 4.000 2.987 2.852 3.615 . 0 0 "[ . 1 . 2 . 3]" 1
483 1 26 HIS H 1 26 HIS HD2 1.800 . 5.500 5.428 3.037 5.534 0.034 4 0 "[ . 1 . 2 . 3]" 1
484 1 26 HIS HA 1 26 HIS HB2 1.800 . 2.700 2.698 2.616 2.967 0.267 24 0 "[ . 1 . 2 . 3]" 1
485 1 26 HIS HA 1 26 HIS HB3 1.800 . 2.700 2.907 2.321 2.960 0.260 27 0 "[ . 1 . 2 . 3]" 1
486 1 26 HIS HA 1 27 LEU QB 1.800 . 6.000 5.541 5.238 5.637 . 0 0 "[ . 1 . 2 . 3]" 1
487 1 26 HIS HA 1 27 LEU MD1 1.800 . 6.500 6.169 4.443 6.504 0.004 24 0 "[ . 1 . 2 . 3]" 1
488 1 26 HIS HA 1 27 LEU MD2 1.800 . 6.500 5.035 4.032 6.473 . 0 0 "[ . 1 . 2 . 3]" 1
489 1 26 HIS HA 1 27 LEU HG 1.800 . 5.500 5.174 4.747 5.519 0.019 24 0 "[ . 1 . 2 . 3]" 1
490 1 26 HIS HA 1 29 ALA H 1.800 . 5.500 4.375 3.250 5.512 0.012 16 0 "[ . 1 . 2 . 3]" 1
491 1 26 HIS HA 1 29 ALA MB 1.800 . 6.000 4.781 3.618 6.043 0.043 25 0 "[ . 1 . 2 . 3]" 1
492 1 26 HIS HA 1 30 GLU HB2 1.800 . 5.500 4.935 3.087 5.542 0.042 25 0 "[ . 1 . 2 . 3]" 1
493 1 26 HIS HB2 1 26 HIS HD2 1.800 . 4.000 3.548 2.712 3.652 . 0 0 "[ . 1 . 2 . 3]" 1
494 1 26 HIS HB2 1 26 HIS HE1 1.800 . 5.500 4.997 4.941 5.258 . 0 0 "[ . 1 . 2 . 3]" 1
495 1 26 HIS HB3 1 26 HIS HD2 1.800 . 4.000 2.814 2.750 3.694 . 0 0 "[ . 1 . 2 . 3]" 1
496 1 26 HIS HB3 1 26 HIS HE1 1.800 . 5.500 5.302 4.835 5.325 . 0 0 "[ . 1 . 2 . 3]" 1
497 1 26 HIS HB3 1 27 LEU HG 1.800 . 5.500 2.919 2.420 5.270 . 0 0 "[ . 1 . 2 . 3]" 1
498 1 26 HIS HD2 1 27 LEU HA 1.800 . 5.500 5.203 4.837 5.839 0.339 24 0 "[ . 1 . 2 . 3]" 1
499 1 26 HIS HD2 1 27 LEU QB 1.800 . 6.000 6.004 5.360 6.085 0.085 20 0 "[ . 1 . 2 . 3]" 1
500 1 26 HIS HD2 1 27 LEU MD1 1.800 . 6.500 5.560 5.011 6.122 . 0 0 "[ . 1 . 2 . 3]" 1
501 1 26 HIS HD2 1 27 LEU MD2 1.800 . 6.500 3.765 2.946 6.410 . 0 0 "[ . 1 . 2 . 3]" 1
502 1 26 HIS HD2 1 27 LEU HG 1.800 . 5.500 4.805 4.371 5.551 0.051 8 0 "[ . 1 . 2 . 3]" 1
503 1 27 LEU H 1 27 LEU QB 1.800 . 4.500 2.633 2.414 2.843 . 0 0 "[ . 1 . 2 . 3]" 1
504 1 27 LEU H 1 27 LEU MD1 1.800 . 6.500 3.362 1.950 3.720 . 0 0 "[ . 1 . 2 . 3]" 1
505 1 27 LEU H 1 27 LEU MD2 1.800 . 6.500 2.973 1.959 3.548 . 0 0 "[ . 1 . 2 . 3]" 1
506 1 27 LEU H 1 27 LEU HG 1.800 . 4.000 1.896 1.820 2.259 . 0 0 "[ . 1 . 2 . 3]" 1
507 1 27 LEU H 1 28 ILE QG 1.800 . 6.500 4.847 3.880 6.518 0.018 20 0 "[ . 1 . 2 . 3]" 1
508 1 27 LEU HA 1 27 LEU MD2 1.800 . 5.000 2.192 1.871 4.112 . 0 0 "[ . 1 . 2 . 3]" 1
509 1 27 LEU HA 1 27 LEU HG 1.800 . 4.000 3.173 2.815 3.671 . 0 0 "[ . 1 . 2 . 3]" 1
510 1 27 LEU HA 1 28 ILE H 1.800 . 4.000 3.303 2.240 3.591 . 0 0 "[ . 1 . 2 . 3]" 1
511 1 27 LEU HA 1 28 ILE HA 1.800 . 5.500 4.626 4.384 4.875 . 0 0 "[ . 1 . 2 . 3]" 1
512 1 27 LEU HA 1 28 ILE QG 1.800 . 6.500 5.100 3.693 6.436 . 0 0 "[ . 1 . 2 . 3]" 1
513 1 27 LEU QB 1 27 LEU MD1 1.800 . 5.500 2.092 1.984 2.368 . 0 0 "[ . 1 . 2 . 3]" 1
514 1 27 LEU QB 1 27 LEU MD2 1.800 . 5.500 2.245 2.017 2.432 . 0 0 "[ . 1 . 2 . 3]" 1
515 1 27 LEU QB 1 28 ILE H 1.800 . 6.000 2.862 1.857 3.917 . 0 0 "[ . 1 . 2 . 3]" 1
516 1 27 LEU QB 1 29 ALA H 1.800 . 6.000 4.848 4.265 5.523 . 0 0 "[ . 1 . 2 . 3]" 1
517 1 27 LEU MD1 1 27 LEU MD2 1.800 . 6.000 2.008 1.869 2.078 . 0 0 "[ . 1 . 2 . 3]" 1
518 1 27 LEU HG 1 28 ILE H 1.800 . 5.500 4.263 3.602 5.131 . 0 0 "[ . 1 . 2 . 3]" 1
519 1 28 ILE H 1 28 ILE HB 1.800 . 4.000 2.886 2.328 3.987 . 0 0 "[ . 1 . 2 . 3]" 1
520 1 28 ILE H 1 28 ILE MD 1.800 . 6.500 3.794 2.932 4.595 . 0 0 "[ . 1 . 2 . 3]" 1
521 1 28 ILE H 1 28 ILE QG 1.800 . 6.500 2.835 1.843 4.300 . 0 0 "[ . 1 . 2 . 3]" 1
522 1 28 ILE H 1 28 ILE MG 1.800 . 6.500 3.322 2.100 4.073 . 0 0 "[ . 1 . 2 . 3]" 1
523 1 28 ILE H 1 29 ALA H 1.800 . 5.500 2.786 1.848 3.825 . 0 0 "[ . 1 . 2 . 3]" 1
524 1 28 ILE HA 1 28 ILE MD 1.800 . 5.000 2.921 1.854 4.117 . 0 0 "[ . 1 . 2 . 3]" 1
525 1 28 ILE HA 1 28 ILE QG 1.800 . 5.000 2.696 2.190 3.359 . 0 0 "[ . 1 . 2 . 3]" 1
526 1 28 ILE HA 1 28 ILE MG 1.800 . 3.700 2.529 1.966 3.190 . 0 0 "[ . 1 . 2 . 3]" 1
527 1 28 ILE HA 1 29 ALA H 1.800 . 4.000 3.255 2.344 3.589 . 0 0 "[ . 1 . 2 . 3]" 1
528 1 28 ILE HB 1 28 ILE MD 1.800 . 5.000 2.558 1.990 3.192 . 0 0 "[ . 1 . 2 . 3]" 1
529 1 28 ILE HB 1 29 ALA H 1.800 . 5.500 3.461 1.849 4.598 . 0 0 "[ . 1 . 2 . 3]" 1
530 1 28 ILE MD 1 28 ILE QG 1.800 . 4.700 1.895 1.878 1.916 . 0 0 "[ . 1 . 2 . 3]" 1
531 1 28 ILE QG 1 28 ILE MG 1.800 . 4.700 2.209 1.865 2.353 . 0 0 "[ . 1 . 2 . 3]" 1
532 1 29 ALA H 1 29 ALA HA 1.800 . 2.700 2.751 2.337 2.927 0.227 15 0 "[ . 1 . 2 . 3]" 1
533 1 29 ALA H 1 29 ALA MB 1.800 . 3.200 2.769 2.044 3.012 . 0 0 "[ . 1 . 2 . 3]" 1
534 1 29 ALA HA 1 30 GLU H 1.800 . 2.700 2.354 2.179 2.785 0.085 4 0 "[ . 1 . 2 . 3]" 1
535 1 29 ALA HA 1 30 GLU HG2 1.800 . 5.500 3.995 3.087 5.508 0.008 20 0 "[ . 1 . 2 . 3]" 1
536 1 29 ALA HA 1 30 GLU HG3 1.800 . 5.500 4.484 3.585 5.539 0.039 20 0 "[ . 1 . 2 . 3]" 1
537 1 29 ALA MB 1 30 GLU H 1.800 . 4.500 3.089 2.144 3.713 . 0 0 "[ . 1 . 2 . 3]" 1
538 1 29 ALA MB 1 30 GLU HA 1.800 . 6.000 4.093 3.642 4.655 . 0 0 "[ . 1 . 2 . 3]" 1
539 1 30 GLU H 1 30 GLU HB2 1.800 . 4.000 3.806 2.353 4.088 0.088 4 0 "[ . 1 . 2 . 3]" 1
540 1 30 GLU H 1 30 GLU HB3 1.800 . 4.000 3.413 2.536 3.937 . 0 0 "[ . 1 . 2 . 3]" 1
541 1 30 GLU H 1 30 GLU HG2 1.800 . 4.000 2.693 1.851 4.006 0.006 20 0 "[ . 1 . 2 . 3]" 1
542 1 30 GLU H 1 30 GLU HG3 1.800 . 4.000 2.840 1.918 4.042 0.042 11 0 "[ . 1 . 2 . 3]" 1
543 1 30 GLU HA 1 30 GLU HB2 1.800 . 2.700 2.611 2.411 2.953 0.253 15 0 "[ . 1 . 2 . 3]" 1
544 1 30 GLU HA 1 30 GLU HB3 1.800 . 2.700 2.387 2.239 2.733 0.033 20 0 "[ . 1 . 2 . 3]" 1
545 1 30 GLU HA 1 30 GLU HG2 1.800 . 4.000 3.597 1.931 4.037 0.037 7 0 "[ . 1 . 2 . 3]" 1
546 1 30 GLU HA 1 30 GLU HG3 1.800 . 4.000 3.645 3.207 3.922 . 0 0 "[ . 1 . 2 . 3]" 1
547 1 30 GLU HA 1 31 ILE H 1.800 . 2.700 2.369 2.110 2.713 0.013 5 0 "[ . 1 . 2 . 3]" 1
548 1 30 GLU HA 1 31 ILE HB 1.800 . 5.500 5.236 4.457 5.691 0.191 9 0 "[ . 1 . 2 . 3]" 1
549 1 30 GLU HA 1 31 ILE MD 1.800 . 6.500 4.341 2.398 6.435 . 0 0 "[ . 1 . 2 . 3]" 1
550 1 30 GLU HA 1 31 ILE QG 1.800 . 6.500 3.976 3.115 5.909 . 0 0 "[ . 1 . 2 . 3]" 1
551 1 30 GLU HA 1 32 HIS H 1.800 . 5.500 4.848 3.323 5.605 0.105 30 0 "[ . 1 . 2 . 3]" 1
552 1 30 GLU HB2 1 31 ILE H 1.800 . 5.500 3.591 2.079 4.612 . 0 0 "[ . 1 . 2 . 3]" 1
553 1 30 GLU HB3 1 31 ILE H 1.800 . 5.500 4.200 3.563 4.692 . 0 0 "[ . 1 . 2 . 3]" 1
554 1 30 GLU HG2 1 31 ILE H 1.800 . 5.500 5.026 3.997 5.502 0.002 4 0 "[ . 1 . 2 . 3]" 1
555 1 30 GLU HG3 1 31 ILE H 1.800 . 5.500 4.462 2.969 5.425 . 0 0 "[ . 1 . 2 . 3]" 1
556 1 31 ILE H 1 31 ILE HB 1.800 . 4.000 3.208 2.622 3.884 . 0 0 "[ . 1 . 2 . 3]" 1
557 1 31 ILE H 1 31 ILE MD 1.800 . 6.500 3.098 1.857 4.633 . 0 0 "[ . 1 . 2 . 3]" 1
558 1 31 ILE H 1 31 ILE QG 1.800 . 6.500 2.478 1.834 3.901 . 0 0 "[ . 1 . 2 . 3]" 1
559 1 31 ILE H 1 31 ILE MG 1.800 . 5.000 3.473 1.852 3.982 . 0 0 "[ . 1 . 2 . 3]" 1
560 1 31 ILE H 1 32 HIS H 1.800 . 5.500 3.612 2.488 4.466 . 0 0 "[ . 1 . 2 . 3]" 1
561 1 31 ILE H 1 32 HIS HA 1.800 . 5.500 5.089 4.010 5.611 0.111 9 0 "[ . 1 . 2 . 3]" 1
562 1 31 ILE HA 1 31 ILE MD 1.800 . 3.700 2.835 1.952 3.746 0.046 9 0 "[ . 1 . 2 . 3]" 1
563 1 31 ILE HA 1 31 ILE QG 1.800 . 6.500 3.009 2.441 3.346 . 0 0 "[ . 1 . 2 . 3]" 1
564 1 31 ILE HA 1 31 ILE MG 1.800 . 5.000 2.267 1.956 3.167 . 0 0 "[ . 1 . 2 . 3]" 1
565 1 31 ILE HA 1 32 HIS H 1.800 . 2.700 2.422 2.117 2.850 0.150 7 0 "[ . 1 . 2 . 3]" 1
566 1 31 ILE HA 1 32 HIS HA 1.800 . 5.500 4.566 4.379 4.896 . 0 0 "[ . 1 . 2 . 3]" 1
567 1 31 ILE HB 1 31 ILE MD 1.800 . 3.700 2.680 1.892 3.193 . 0 0 "[ . 1 . 2 . 3]" 1
568 1 31 ILE HB 1 32 HIS H 1.800 . 4.000 4.096 3.988 4.186 0.186 13 0 "[ . 1 . 2 . 3]" 1
569 1 31 ILE MD 1 31 ILE MG 1.800 . 4.700 2.316 1.805 3.231 . 0 0 "[ . 1 . 2 . 3]" 1
570 1 31 ILE MD 1 32 HIS H 1.800 . 5.000 4.401 4.034 5.098 0.098 30 0 "[ . 1 . 2 . 3]" 1
571 1 31 ILE MD 1 33 THR H 1.800 . 6.500 5.755 3.820 6.509 0.009 28 0 "[ . 1 . 2 . 3]" 1
572 1 31 ILE QG 1 31 ILE MG 1.800 . 4.700 2.200 1.884 2.410 . 0 0 "[ . 1 . 2 . 3]" 1
573 1 31 ILE QG 1 32 HIS H 1.800 . 6.500 4.406 2.650 4.950 . 0 0 "[ . 1 . 2 . 3]" 1
574 1 31 ILE MG 1 32 HIS H 1.800 . 6.500 3.790 2.652 4.300 . 0 0 "[ . 1 . 2 . 3]" 1
575 1 31 ILE MG 1 33 THR H 1.800 . 6.500 4.958 2.658 6.416 . 0 0 "[ . 1 . 2 . 3]" 1
576 1 32 HIS H 1 32 HIS HA 1.800 . 2.700 2.690 2.346 2.951 0.251 14 0 "[ . 1 . 2 . 3]" 1
577 1 32 HIS H 1 32 HIS HB2 1.800 . 4.000 2.963 2.083 4.039 0.039 15 0 "[ . 1 . 2 . 3]" 1
578 1 32 HIS H 1 32 HIS HD2 1.800 . 5.500 3.872 1.967 5.514 0.014 27 0 "[ . 1 . 2 . 3]" 1
579 1 32 HIS H 1 33 THR H 1.800 . 5.500 3.671 2.348 4.692 . 0 0 "[ . 1 . 2 . 3]" 1
580 1 32 HIS H 1 34 ALA MB 1.800 . 7.000 5.859 3.554 7.028 0.028 16 0 "[ . 1 . 2 . 3]" 1
581 1 32 HIS HA 1 33 THR H 1.800 . 2.700 2.437 2.195 2.745 0.045 6 0 "[ . 1 . 2 . 3]" 1
582 1 32 HIS HA 1 33 THR HA 1.800 . 5.500 4.545 4.394 4.863 . 0 0 "[ . 1 . 2 . 3]" 1
583 1 32 HIS HA 1 33 THR MG 1.800 . 6.500 4.909 3.164 5.756 . 0 0 "[ . 1 . 2 . 3]" 1
584 1 32 HIS HB2 1 32 HIS HD2 1.800 . 4.000 3.325 2.754 4.003 0.003 28 0 "[ . 1 . 2 . 3]" 1
585 1 32 HIS HB2 1 32 HIS HE1 1.800 . 5.500 5.101 4.745 5.370 . 0 0 "[ . 1 . 2 . 3]" 1
586 1 32 HIS HB2 1 33 THR H 1.800 . 5.500 4.406 2.848 4.699 . 0 0 "[ . 1 . 2 . 3]" 1
587 1 32 HIS HB3 1 32 HIS HD2 1.800 . 4.000 3.525 2.760 4.001 0.001 9 0 "[ . 1 . 2 . 3]" 1
588 1 32 HIS HB3 1 33 THR H 1.800 . 5.500 4.189 3.356 4.687 . 0 0 "[ . 1 . 2 . 3]" 1
589 1 33 THR H 1 33 THR MG 1.800 . 5.000 3.436 2.282 4.021 . 0 0 "[ . 1 . 2 . 3]" 1
590 1 33 THR H 1 34 ALA H 1.800 . 5.500 3.812 2.746 4.685 . 0 0 "[ . 1 . 2 . 3]" 1
591 1 33 THR HA 1 33 THR MG 1.800 . 3.700 2.218 1.900 3.202 . 0 0 "[ . 1 . 2 . 3]" 1
592 1 33 THR HA 1 34 ALA H 1.800 . 2.700 2.409 2.189 2.731 0.031 6 0 "[ . 1 . 2 . 3]" 1
593 1 33 THR HB 1 34 ALA H 1.800 . 5.500 4.038 2.583 4.669 . 0 0 "[ . 1 . 2 . 3]" 1
594 1 33 THR MG 1 34 ALA H 1.800 . 6.500 3.518 1.852 4.366 . 0 0 "[ . 1 . 2 . 3]" 1
595 1 34 ALA H 1 34 ALA MB 1.800 . 3.200 2.550 2.069 2.963 . 0 0 "[ . 1 . 2 . 3]" 1
stop_
save_
Contact the webmaster for help, if required. Saturday, April 27, 2024 9:55:52 PM GMT (wattos1)