NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
396348 |
1scv   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1scv
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 722
_Distance_constraint_stats_list.Viol_count 300
_Distance_constraint_stats_list.Viol_total 251.155
_Distance_constraint_stats_list.Viol_max 0.773
_Distance_constraint_stats_list.Viol_rms 0.0186
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0009
_Distance_constraint_stats_list.Viol_average_violations_only 0.0419
_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 8 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 LYS 0.010 0.010 16 0 "[ . 1 . 2]"
1 11 GLY 0.010 0.010 16 0 "[ . 1 . 2]"
1 12 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 THR 0.076 0.014 17 0 "[ . 1 . 2]"
1 14 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 GLU 0.091 0.014 17 0 "[ . 1 . 2]"
1 17 LEU 0.015 0.007 3 0 "[ . 1 . 2]"
1 18 SER 0.007 0.007 3 0 "[ . 1 . 2]"
1 19 ASP 0.011 0.007 7 0 "[ . 1 . 2]"
1 20 LEU 0.038 0.032 3 0 "[ . 1 . 2]"
1 21 PHE 0.114 0.022 14 0 "[ . 1 . 2]"
1 22 ARG 0.073 0.040 14 0 "[ . 1 . 2]"
1 23 MET 0.109 0.040 14 0 "[ . 1 . 2]"
1 24 PHE 0.401 0.077 20 0 "[ . 1 . 2]"
1 25 ASP 0.536 0.346 16 0 "[ . 1 . 2]"
1 26 LYS 0.091 0.043 20 0 "[ . 1 . 2]"
1 27 ASN 0.082 0.043 20 0 "[ . 1 . 2]"
1 28 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 GLY 0.494 0.346 16 0 "[ . 1 . 2]"
1 31 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 ILE 0.414 0.077 20 0 "[ . 1 . 2]"
1 33 ASP 0.029 0.010 18 0 "[ . 1 . 2]"
1 34 LEU 0.073 0.025 3 0 "[ . 1 . 2]"
1 35 GLU 0.050 0.011 2 0 "[ . 1 . 2]"
1 36 GLU 0.059 0.011 2 0 "[ . 1 . 2]"
1 37 LEU 0.239 0.050 20 0 "[ . 1 . 2]"
1 38 LYS 0.110 0.050 20 0 "[ . 1 . 2]"
1 39 ILE 0.093 0.050 4 0 "[ . 1 . 2]"
1 40 MET 0.019 0.013 10 0 "[ . 1 . 2]"
1 41 LEU 0.576 0.041 2 0 "[ . 1 . 2]"
1 42 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 ALA 0.099 0.028 18 0 "[ . 1 . 2]"
1 44 THR 0.677 0.035 6 0 "[ . 1 . 2]"
1 45 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 GLU 0.059 0.022 9 0 "[ . 1 . 2]"
1 47 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ILE 0.124 0.041 2 0 "[ . 1 . 2]"
1 49 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 GLU 0.001 0.001 12 0 "[ . 1 . 2]"
1 51 ASP 0.008 0.007 12 0 "[ . 1 . 2]"
1 52 ASP 0.038 0.025 17 0 "[ . 1 . 2]"
1 53 ILE 0.038 0.010 12 0 "[ . 1 . 2]"
1 54 GLU 0.002 0.002 4 0 "[ . 1 . 2]"
1 55 GLU 0.002 0.002 4 0 "[ . 1 . 2]"
1 56 LEU 0.073 0.014 8 0 "[ . 1 . 2]"
1 57 MET 0.162 0.025 11 0 "[ . 1 . 2]"
1 58 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 ASP 0.022 0.011 13 0 "[ . 1 . 2]"
1 60 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 ASP 8.519 0.773 6 9 "[ *-.+ ** *** *]"
1 62 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ASN 0.095 0.023 1 0 "[ . 1 . 2]"
1 64 ASN 0.377 0.046 6 0 "[ . 1 . 2]"
1 65 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 GLY 8.779 0.773 6 9 "[ *-.+ ** *** *]"
1 67 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 ILE 0.306 0.025 11 0 "[ . 1 . 2]"
1 69 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 TYR 0.098 0.016 3 0 "[ . 1 . 2]"
1 71 ASP 0.196 0.033 14 0 "[ . 1 . 2]"
1 72 GLU 0.178 0.033 14 0 "[ . 1 . 2]"
1 73 PHE 0.098 0.016 3 0 "[ . 1 . 2]"
1 74 LEU 0.001 0.001 11 0 "[ . 1 . 2]"
1 75 GLU 0.052 0.015 8 0 "[ . 1 . 2]"
1 76 PHE 0.320 0.030 19 0 "[ . 1 . 2]"
1 77 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 LYS 0.033 0.015 8 0 "[ . 1 . 2]"
1 79 GLY 0.320 0.030 19 0 "[ . 1 . 2]"
1 80 VAL 0.258 0.041 1 0 "[ . 1 . 2]"
1 81 GLU 0.020 0.010 14 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 8 ASP H 1 8 ASP QB 3.000 . 3.600 2.560 2.151 2.939 . 0 0 "[ . 1 . 2]" 1
2 1 8 ASP QB 1 9 SER H 4.800 . 5.800 2.880 1.945 4.028 . 0 0 "[ . 1 . 2]" 1
3 1 9 SER H 1 9 SER HA 3.000 . 3.600 2.863 2.757 2.941 . 0 0 "[ . 1 . 2]" 1
4 1 9 SER H 1 9 SER QB 3.000 . 3.600 2.373 2.077 2.785 . 0 0 "[ . 1 . 2]" 1
5 1 9 SER HA 1 10 LYS H 3.000 . 3.600 2.642 2.141 3.562 . 0 0 "[ . 1 . 2]" 1
6 1 10 LYS HA 1 11 GLY H 2.500 . 2.800 2.385 2.154 2.810 0.010 16 0 "[ . 1 . 2]" 1
7 1 11 GLY H 1 11 GLY QA 2.500 . 2.800 2.242 2.191 2.321 . 0 0 "[ . 1 . 2]" 1
8 1 11 GLY QA 1 12 LYS H 3.000 . 3.600 2.268 2.103 2.734 . 0 0 "[ . 1 . 2]" 1
9 1 12 LYS H 1 12 LYS HA 3.000 . 3.600 2.855 2.764 2.946 . 0 0 "[ . 1 . 2]" 1
10 1 12 LYS H 1 12 LYS QB 3.000 . 3.600 2.384 2.085 2.574 . 0 0 "[ . 1 . 2]" 1
11 1 12 LYS HA 1 13 THR H 2.500 . 2.800 2.315 2.136 2.741 . 0 0 "[ . 1 . 2]" 1
12 1 12 LYS QB 1 16 GLU QG 3.800 . 4.600 3.120 1.927 3.614 . 0 0 "[ . 1 . 2]" 1
13 1 12 LYS QG 1 16 GLU QB 4.800 . 4.800 3.478 2.533 3.913 . 0 0 "[ . 1 . 2]" 1
14 1 13 THR H 1 14 GLU H 4.000 . 5.200 3.552 2.753 4.415 . 0 0 "[ . 1 . 2]" 1
15 1 13 THR H 1 15 GLU HA 5.800 . 7.000 6.001 5.729 6.554 . 0 0 "[ . 1 . 2]" 1
16 1 13 THR H 1 16 GLU H 3.200 . 3.700 3.603 3.265 3.714 0.014 17 0 "[ . 1 . 2]" 1
17 1 13 THR H 1 16 GLU QB 3.800 . 4.600 3.686 3.154 4.036 . 0 0 "[ . 1 . 2]" 1
18 1 13 THR HA 1 13 THR HB 3.000 . 3.600 2.559 2.293 3.023 . 0 0 "[ . 1 . 2]" 1
19 1 13 THR HA 1 13 THR HG1 3.000 . 3.600 2.421 2.010 2.964 . 0 0 "[ . 1 . 2]" 1
20 1 13 THR HB 1 14 GLU H 3.000 . 3.600 2.573 1.917 3.479 . 0 0 "[ . 1 . 2]" 1
21 1 13 THR MG 1 14 GLU H 3.800 . 4.600 3.221 1.921 3.726 . 0 0 "[ . 1 . 2]" 1
22 1 14 GLU H 1 15 GLU H 2.500 . 2.800 2.550 2.329 2.753 . 0 0 "[ . 1 . 2]" 1
23 1 14 GLU H 1 15 GLU HA 4.800 . 5.800 5.158 4.990 5.314 . 0 0 "[ . 1 . 2]" 1
24 1 14 GLU H 1 16 GLU H 4.000 . 5.200 4.043 3.753 4.403 . 0 0 "[ . 1 . 2]" 1
25 1 14 GLU H 1 16 GLU QG 4.800 . 5.800 4.639 4.261 5.201 . 0 0 "[ . 1 . 2]" 1
26 1 14 GLU H 1 17 LEU H 4.800 . 5.800 5.321 4.959 5.777 . 0 0 "[ . 1 . 2]" 1
27 1 14 GLU HA 1 14 GLU QG 3.000 . 3.600 2.335 2.103 2.590 . 0 0 "[ . 1 . 2]" 1
28 1 14 GLU HA 1 15 GLU H 3.800 . 4.600 3.489 3.419 3.538 . 0 0 "[ . 1 . 2]" 1
29 1 14 GLU HA 1 16 GLU H 4.800 . 5.800 3.791 3.624 4.040 . 0 0 "[ . 1 . 2]" 1
30 1 14 GLU QB 1 15 GLU H 3.000 . 3.600 2.784 2.482 3.085 . 0 0 "[ . 1 . 2]" 1
31 1 14 GLU QG 1 15 GLU H 4.800 . 5.800 4.278 3.574 4.561 . 0 0 "[ . 1 . 2]" 1
32 1 15 GLU H 1 15 GLU HA 3.000 . 3.600 2.815 2.767 2.883 . 0 0 "[ . 1 . 2]" 1
33 1 15 GLU H 1 16 GLU H 2.500 . 2.800 2.624 2.455 2.756 . 0 0 "[ . 1 . 2]" 1
34 1 15 GLU QB 1 18 SER H 5.800 . 7.000 5.427 5.051 6.020 . 0 0 "[ . 1 . 2]" 1
35 1 16 GLU H 1 16 GLU HA 3.000 . 3.600 2.886 2.850 2.912 . 0 0 "[ . 1 . 2]" 1
36 1 16 GLU H 1 17 LEU H 2.500 . 2.800 2.517 2.274 2.806 0.006 16 0 "[ . 1 . 2]" 1
37 1 16 GLU H 1 17 LEU HA 5.800 . 7.000 4.886 4.712 5.024 . 0 0 "[ . 1 . 2]" 1
38 1 16 GLU H 1 18 SER H 4.000 . 5.200 4.479 3.914 4.931 . 0 0 "[ . 1 . 2]" 1
39 1 16 GLU H 1 19 ASP H 4.800 . 5.800 5.645 5.247 5.807 0.007 7 0 "[ . 1 . 2]" 1
40 1 16 GLU HA 1 17 LEU H 3.800 . 4.600 3.318 3.016 3.477 . 0 0 "[ . 1 . 2]" 1
41 1 16 GLU HA 1 19 ASP H 3.800 . 4.600 3.444 3.090 3.688 . 0 0 "[ . 1 . 2]" 1
42 1 16 GLU HA 1 19 ASP QB 3.800 . 4.600 3.546 2.699 3.842 . 0 0 "[ . 1 . 2]" 1
43 1 17 LEU H 1 17 LEU QB 3.000 . 3.600 2.320 2.159 2.454 . 0 0 "[ . 1 . 2]" 1
44 1 17 LEU H 1 17 LEU MD2 4.800 . 5.800 3.684 3.177 4.035 . 0 0 "[ . 1 . 2]" 1
45 1 17 LEU H 1 17 LEU HG 3.000 . 3.600 2.540 2.219 2.969 . 0 0 "[ . 1 . 2]" 1
46 1 17 LEU H 1 18 SER H 2.500 . 2.800 2.691 2.452 2.807 0.007 3 0 "[ . 1 . 2]" 1
47 1 17 LEU HA 1 17 LEU MD1 3.800 . 4.600 3.839 3.802 3.883 . 0 0 "[ . 1 . 2]" 1
48 1 17 LEU HA 1 17 LEU MD2 3.000 . 3.600 2.120 1.967 2.494 . 0 0 "[ . 1 . 2]" 1
49 1 17 LEU HA 1 17 LEU HG 3.000 . 3.600 2.813 2.587 3.198 . 0 0 "[ . 1 . 2]" 1
50 1 17 LEU HA 1 18 SER H 3.800 . 4.600 3.458 3.390 3.490 . 0 0 "[ . 1 . 2]" 1
51 1 17 LEU HA 1 19 ASP H 3.800 . 4.600 4.242 3.802 4.601 0.001 5 0 "[ . 1 . 2]" 1
52 1 17 LEU QB 1 18 SER H 3.000 . 3.600 2.960 2.835 3.173 . 0 0 "[ . 1 . 2]" 1
53 1 17 LEU QB 1 18 SER HA 4.800 . 5.800 3.942 3.886 4.011 . 0 0 "[ . 1 . 2]" 1
54 1 17 LEU QB 1 74 LEU HA 3.800 . 4.600 4.045 3.613 4.167 . 0 0 "[ . 1 . 2]" 1
55 1 17 LEU QD 1 77 MET QB 3.000 . 3.600 2.167 1.848 2.467 . 0 0 "[ . 1 . 2]" 1
56 1 17 LEU QD 1 77 MET ME 5.800 . 7.000 3.537 2.815 4.207 . 0 0 "[ . 1 . 2]" 1
57 1 17 LEU MD2 1 77 MET H 5.800 . 7.000 4.910 4.099 5.555 . 0 0 "[ . 1 . 2]" 1
58 1 17 LEU HG 1 74 LEU HA 5.800 . 7.000 5.642 5.179 6.153 . 0 0 "[ . 1 . 2]" 1
59 1 18 SER H 1 18 SER HA 3.000 . 3.600 2.831 2.785 2.872 . 0 0 "[ . 1 . 2]" 1
60 1 18 SER H 1 18 SER QB 3.000 . 3.600 2.316 2.143 2.844 . 0 0 "[ . 1 . 2]" 1
61 1 18 SER H 1 19 ASP H 2.500 . 2.800 2.610 2.478 2.717 . 0 0 "[ . 1 . 2]" 1
62 1 18 SER H 1 19 ASP QB 5.800 . 7.000 4.374 4.212 4.639 . 0 0 "[ . 1 . 2]" 1
63 1 18 SER H 1 20 LEU H 4.000 . 5.200 4.060 3.825 4.256 . 0 0 "[ . 1 . 2]" 1
64 1 18 SER H 1 21 PHE H 4.800 . 5.800 4.836 4.554 5.055 . 0 0 "[ . 1 . 2]" 1
65 1 18 SER H 1 70 TYR QE 4.800 . 5.800 2.835 2.268 3.538 . 0 0 "[ . 1 . 2]" 1
66 1 18 SER HA 1 19 ASP H 3.800 . 4.600 3.526 3.489 3.559 . 0 0 "[ . 1 . 2]" 1
67 1 18 SER HA 1 20 LEU H 3.800 . 4.600 4.370 4.071 4.583 . 0 0 "[ . 1 . 2]" 1
68 1 18 SER HA 1 21 PHE H 3.800 . 4.600 3.525 3.163 3.748 . 0 0 "[ . 1 . 2]" 1
69 1 18 SER HA 1 21 PHE QB 3.000 . 3.600 2.857 2.258 3.175 . 0 0 "[ . 1 . 2]" 1
70 1 18 SER HA 1 70 TYR QD 3.800 . 4.600 2.742 2.158 3.237 . 0 0 "[ . 1 . 2]" 1
71 1 18 SER HA 1 70 TYR QE 3.800 . 4.600 2.433 1.976 3.236 . 0 0 "[ . 1 . 2]" 1
72 1 18 SER QB 1 19 ASP H 3.800 . 4.600 2.916 2.371 3.529 . 0 0 "[ . 1 . 2]" 1
73 1 18 SER QB 1 70 TYR QE 3.800 . 4.600 2.598 1.975 3.150 . 0 0 "[ . 1 . 2]" 1
74 1 19 ASP H 1 19 ASP QB 3.000 . 3.600 2.191 2.057 2.517 . 0 0 "[ . 1 . 2]" 1
75 1 19 ASP H 1 20 LEU H 3.200 . 3.700 2.576 2.385 2.743 . 0 0 "[ . 1 . 2]" 1
76 1 19 ASP H 1 70 TYR QE 5.800 . 7.000 4.855 4.616 5.050 . 0 0 "[ . 1 . 2]" 1
77 1 19 ASP QB 1 20 LEU H 3.000 . 3.600 2.701 2.455 2.965 . 0 0 "[ . 1 . 2]" 1
78 1 20 LEU H 1 20 LEU QB 3.000 . 3.600 2.185 2.073 2.304 . 0 0 "[ . 1 . 2]" 1
79 1 20 LEU H 1 20 LEU HG 3.000 . 3.600 3.190 2.652 3.632 0.032 3 0 "[ . 1 . 2]" 1
80 1 20 LEU H 1 21 PHE H 2.500 . 2.800 2.552 2.402 2.737 . 0 0 "[ . 1 . 2]" 1
81 1 20 LEU H 1 21 PHE QB 4.800 . 5.800 4.309 4.125 4.499 . 0 0 "[ . 1 . 2]" 1
82 1 20 LEU HA 1 22 ARG H 4.800 . 5.800 4.427 3.794 4.705 . 0 0 "[ . 1 . 2]" 1
83 1 20 LEU HA 1 23 MET H 3.800 . 4.600 3.432 3.263 3.821 . 0 0 "[ . 1 . 2]" 1
84 1 20 LEU HG 1 21 PHE H 4.800 . 5.800 4.927 4.711 5.242 . 0 0 "[ . 1 . 2]" 1
85 1 21 PHE H 1 21 PHE QB 3.000 . 3.600 2.252 2.243 2.262 . 0 0 "[ . 1 . 2]" 1
86 1 21 PHE H 1 22 ARG H 3.200 . 3.700 2.766 2.539 2.876 . 0 0 "[ . 1 . 2]" 1
87 1 21 PHE H 1 22 ARG HA 5.800 . 7.000 5.340 5.130 5.426 . 0 0 "[ . 1 . 2]" 1
88 1 21 PHE HA 1 22 ARG H 3.800 . 4.600 3.554 3.487 3.572 . 0 0 "[ . 1 . 2]" 1
89 1 21 PHE HA 1 24 PHE H 3.000 . 3.600 3.594 3.539 3.622 0.022 14 0 "[ . 1 . 2]" 1
90 1 21 PHE QB 1 22 ARG H 3.000 . 3.600 2.430 2.237 2.826 . 0 0 "[ . 1 . 2]" 1
91 1 21 PHE QB 1 70 TYR HA 3.800 . 4.600 3.895 3.633 4.057 . 0 0 "[ . 1 . 2]" 1
92 1 21 PHE QB 1 70 TYR QE 5.800 . 7.000 4.255 3.666 4.662 . 0 0 "[ . 1 . 2]" 1
93 1 21 PHE QD 1 22 ARG HA 4.800 . 5.800 3.326 2.940 3.819 . 0 0 "[ . 1 . 2]" 1
94 1 21 PHE QE 1 22 ARG HA 4.800 . 5.800 4.699 4.442 5.010 . 0 0 "[ . 1 . 2]" 1
95 1 21 PHE QE 1 31 TYR HA 3.800 . 4.600 3.594 3.267 3.851 . 0 0 "[ . 1 . 2]" 1
96 1 21 PHE QE 1 32 ILE QG 3.800 . 4.600 3.642 3.217 3.938 . 0 0 "[ . 1 . 2]" 1
97 1 21 PHE QE 1 68 ILE MG 4.800 . 5.800 2.762 2.458 2.987 . 0 0 "[ . 1 . 2]" 1
98 1 21 PHE QE 1 69 ASP HA 3.800 . 4.600 2.220 1.979 2.611 . 0 0 "[ . 1 . 2]" 1
99 1 21 PHE QE 1 70 TYR HA 4.800 . 5.800 3.903 3.382 4.414 . 0 0 "[ . 1 . 2]" 1
100 1 21 PHE HZ 1 30 GLY QA 4.800 . 5.800 3.637 3.359 4.000 . 0 0 "[ . 1 . 2]" 1
101 1 21 PHE HZ 1 31 TYR HA 3.000 . 3.600 2.263 1.978 2.647 . 0 0 "[ . 1 . 2]" 1
102 1 21 PHE HZ 1 69 ASP HA 3.000 . 3.600 2.046 1.981 2.142 . 0 0 "[ . 1 . 2]" 1
103 1 21 PHE HZ 1 70 TYR HA 4.800 . 5.800 5.237 4.911 5.468 . 0 0 "[ . 1 . 2]" 1
104 1 22 ARG H 1 22 ARG QB 3.000 . 3.600 2.279 2.046 2.685 . 0 0 "[ . 1 . 2]" 1
105 1 22 ARG H 1 23 MET H 2.500 . 2.800 2.718 2.563 2.840 0.040 14 0 "[ . 1 . 2]" 1
106 1 22 ARG H 1 23 MET QG 4.800 . 5.800 4.385 3.699 5.065 . 0 0 "[ . 1 . 2]" 1
107 1 22 ARG HA 1 22 ARG QD 4.800 . 5.800 3.910 3.392 4.438 . 0 0 "[ . 1 . 2]" 1
108 1 22 ARG HA 1 22 ARG QG 3.800 . 4.600 2.439 2.051 3.344 . 0 0 "[ . 1 . 2]" 1
109 1 22 ARG HA 1 23 MET H 3.800 . 4.600 3.511 3.487 3.564 . 0 0 "[ . 1 . 2]" 1
110 1 22 ARG HA 1 24 PHE H 3.800 . 4.600 4.058 3.702 4.607 0.007 13 0 "[ . 1 . 2]" 1
111 1 22 ARG HA 1 25 ASP H 3.000 . 3.600 3.177 2.973 3.468 . 0 0 "[ . 1 . 2]" 1
112 1 22 ARG QB 1 23 MET H 3.800 . 4.600 2.862 2.318 3.519 . 0 0 "[ . 1 . 2]" 1
113 1 22 ARG QB 1 23 MET HA 4.800 . 5.800 3.950 3.752 4.341 . 0 0 "[ . 1 . 2]" 1
114 1 22 ARG QB 1 25 ASP H 4.800 . 5.800 4.630 4.391 4.810 . 0 0 "[ . 1 . 2]" 1
115 1 22 ARG QG 1 24 PHE H 5.800 . 7.000 5.280 4.311 6.075 . 0 0 "[ . 1 . 2]" 1
116 1 23 MET H 1 23 MET HA 3.000 . 3.600 2.802 2.767 2.831 . 0 0 "[ . 1 . 2]" 1
117 1 23 MET H 1 23 MET QG 3.000 . 3.600 2.385 1.930 2.871 . 0 0 "[ . 1 . 2]" 1
118 1 23 MET H 1 24 PHE H 2.500 . 2.800 2.702 2.582 2.817 0.017 20 0 "[ . 1 . 2]" 1
119 1 23 MET H 1 25 ASP H 4.000 . 5.200 3.998 3.819 4.105 . 0 0 "[ . 1 . 2]" 1
120 1 23 MET HA 1 23 MET ME 4.800 . 5.800 3.718 1.980 4.592 . 0 0 "[ . 1 . 2]" 1
121 1 23 MET QB 1 24 PHE H 3.000 . 3.600 2.847 2.297 3.256 . 0 0 "[ . 1 . 2]" 1
122 1 24 PHE H 1 24 PHE HA 3.000 . 3.600 2.877 2.793 2.935 . 0 0 "[ . 1 . 2]" 1
123 1 24 PHE H 1 24 PHE QB 3.000 . 3.600 2.178 2.055 2.303 . 0 0 "[ . 1 . 2]" 1
124 1 24 PHE H 1 25 ASP H 2.500 . 2.800 2.375 2.086 2.678 . 0 0 "[ . 1 . 2]" 1
125 1 24 PHE HA 1 25 ASP H 3.800 . 4.600 3.461 3.435 3.499 . 0 0 "[ . 1 . 2]" 1
126 1 24 PHE HA 1 37 LEU HA 4.800 . 5.800 5.428 4.634 5.808 0.008 19 0 "[ . 1 . 2]" 1
127 1 24 PHE QB 1 25 ASP H 3.000 . 3.600 2.994 2.872 3.083 . 0 0 "[ . 1 . 2]" 1
128 1 24 PHE QB 1 25 ASP HA 4.800 . 5.800 3.947 3.868 4.023 . 0 0 "[ . 1 . 2]" 1
129 1 24 PHE QB 1 32 ILE MD 3.000 . 3.600 1.941 1.723 2.529 0.077 20 0 "[ . 1 . 2]" 1
130 1 24 PHE QD 1 40 MET ME 4.800 . 5.800 3.692 2.996 4.240 . 0 0 "[ . 1 . 2]" 1
131 1 24 PHE QE 1 40 MET ME 4.800 . 5.800 2.872 2.030 3.807 . 0 0 "[ . 1 . 2]" 1
132 1 24 PHE HZ 1 40 MET ME 4.800 . 5.800 3.443 2.427 4.392 . 0 0 "[ . 1 . 2]" 1
133 1 25 ASP H 1 25 ASP HA 3.000 . 3.600 2.884 2.847 2.923 . 0 0 "[ . 1 . 2]" 1
134 1 25 ASP H 1 25 ASP QB 3.000 . 3.600 2.172 2.092 2.330 . 0 0 "[ . 1 . 2]" 1
135 1 25 ASP H 1 26 LYS H 4.000 . 5.200 4.527 4.072 4.623 . 0 0 "[ . 1 . 2]" 1
136 1 25 ASP H 1 32 ILE QG 3.800 . 4.600 3.851 3.511 4.102 . 0 0 "[ . 1 . 2]" 1
137 1 25 ASP HA 1 26 LYS H 2.500 . 2.800 2.266 2.215 2.321 . 0 0 "[ . 1 . 2]" 1
138 1 25 ASP HA 1 26 LYS HA 4.800 . 5.800 4.390 4.342 4.507 . 0 0 "[ . 1 . 2]" 1
139 1 25 ASP HA 1 26 LYS QB 4.800 . 5.800 4.106 3.931 4.440 . 0 0 "[ . 1 . 2]" 1
140 1 25 ASP HA 1 27 ASN H 3.800 . 4.600 4.121 3.760 4.368 . 0 0 "[ . 1 . 2]" 1
141 1 25 ASP HA 1 28 ALA H 3.800 . 4.600 4.129 3.592 4.429 . 0 0 "[ . 1 . 2]" 1
142 1 25 ASP HA 1 32 ILE HA 3.800 . 4.600 4.422 4.160 4.609 0.009 2 0 "[ . 1 . 2]" 1
143 1 25 ASP HA 1 32 ILE QG 3.000 . 3.600 2.208 1.937 2.585 . 0 0 "[ . 1 . 2]" 1
144 1 25 ASP HA 1 33 ASP H 4.800 . 5.800 5.711 5.453 5.810 0.010 18 0 "[ . 1 . 2]" 1
145 1 25 ASP QB 1 30 GLY H 4.800 . 5.800 4.132 3.691 4.424 . 0 0 "[ . 1 . 2]" 1
146 1 25 ASP OD1 1 30 GLY H 2.850 2.450 3.150 2.655 2.104 2.972 0.346 16 0 "[ . 1 . 2]" 1
147 1 26 LYS H 1 26 LYS HA 3.000 . 3.600 2.908 2.773 2.947 . 0 0 "[ . 1 . 2]" 1
148 1 26 LYS H 1 26 LYS QB 3.000 . 3.600 2.351 2.036 2.555 . 0 0 "[ . 1 . 2]" 1
149 1 26 LYS H 1 27 ASN H 2.500 . 2.800 2.276 2.089 2.843 0.043 20 0 "[ . 1 . 2]" 1
150 1 26 LYS H 1 28 ALA H 4.000 . 5.200 3.266 2.987 3.988 . 0 0 "[ . 1 . 2]" 1
151 1 26 LYS H 1 36 GLU HA 4.800 . 5.800 5.173 4.765 5.643 . 0 0 "[ . 1 . 2]" 1
152 1 26 LYS H 1 36 GLU QB 3.800 . 4.600 3.456 2.926 4.113 . 0 0 "[ . 1 . 2]" 1
153 1 26 LYS H 1 36 GLU QG 3.800 . 4.600 2.654 1.998 3.582 . 0 0 "[ . 1 . 2]" 1
154 1 26 LYS HA 1 26 LYS QD 3.000 . 3.600 2.603 1.985 3.226 . 0 0 "[ . 1 . 2]" 1
155 1 26 LYS HA 1 26 LYS QE 3.800 . 4.600 3.021 1.890 4.174 . 0 0 "[ . 1 . 2]" 1
156 1 26 LYS HA 1 26 LYS QG 3.000 . 3.600 2.582 2.107 2.911 . 0 0 "[ . 1 . 2]" 1
157 1 26 LYS HA 1 27 ASN H 3.800 . 4.600 3.533 3.485 3.563 . 0 0 "[ . 1 . 2]" 1
158 1 26 LYS HA 1 27 ASN HA 4.800 . 5.800 4.602 4.537 4.738 . 0 0 "[ . 1 . 2]" 1
159 1 26 LYS QB 1 27 ASN H 3.000 . 3.600 2.581 2.373 2.888 . 0 0 "[ . 1 . 2]" 1
160 1 26 LYS QB 1 28 ALA H 4.800 . 5.800 4.393 4.291 4.508 . 0 0 "[ . 1 . 2]" 1
161 1 26 LYS QB 1 36 GLU HG3 3.800 . 4.600 2.721 2.003 3.543 . 0 0 "[ . 1 . 2]" 1
162 1 26 LYS QB 1 39 ILE MG 4.800 . 5.800 3.935 3.461 4.146 . 0 0 "[ . 1 . 2]" 1
163 1 26 LYS HB2 1 39 ILE MD 4.800 . 5.800 3.288 2.299 4.882 . 0 0 "[ . 1 . 2]" 1
164 1 26 LYS HD3 1 39 ILE MD 3.800 . 4.600 3.102 1.989 4.297 . 0 0 "[ . 1 . 2]" 1
165 1 26 LYS HE2 1 39 ILE HB 5.800 . 7.000 4.463 2.039 6.078 . 0 0 "[ . 1 . 2]" 1
166 1 26 LYS HE2 1 39 ILE MG 3.800 . 4.600 3.204 1.855 4.149 . 0 0 "[ . 1 . 2]" 1
167 1 26 LYS QG 1 36 GLU HA 3.800 . 5.000 3.738 2.443 4.271 . 0 0 "[ . 1 . 2]" 1
168 1 26 LYS HG2 1 36 GLU HG3 3.800 . 4.600 4.202 3.493 4.603 0.003 10 0 "[ . 1 . 2]" 1
169 1 26 LYS HG2 1 39 ILE MD 4.800 . 5.800 2.984 1.930 4.782 . 0 0 "[ . 1 . 2]" 1
170 1 27 ASN H 1 27 ASN HA 3.000 . 3.600 2.919 2.843 2.948 . 0 0 "[ . 1 . 2]" 1
171 1 27 ASN H 1 27 ASN QB 3.000 . 3.600 2.780 2.093 3.035 . 0 0 "[ . 1 . 2]" 1
172 1 27 ASN H 1 28 ALA H 2.500 . 2.800 2.211 1.975 2.532 . 0 0 "[ . 1 . 2]" 1
173 1 27 ASN H 1 29 ASP H 4.800 . 5.800 4.275 4.009 4.738 . 0 0 "[ . 1 . 2]" 1
174 1 27 ASN HA 1 28 ALA H 3.800 . 4.600 3.369 3.092 3.491 . 0 0 "[ . 1 . 2]" 1
175 1 27 ASN HB2 1 28 ALA H 3.800 . 4.600 3.941 3.046 4.427 . 0 0 "[ . 1 . 2]" 1
176 1 28 ALA H 1 28 ALA HA 2.500 . 2.800 2.275 2.272 2.280 . 0 0 "[ . 1 . 2]" 1
177 1 28 ALA H 1 29 ASP H 3.200 . 3.700 2.897 2.609 3.193 . 0 0 "[ . 1 . 2]" 1
178 1 28 ALA H 1 29 ASP QB 5.800 . 7.000 4.673 4.375 4.849 . 0 0 "[ . 1 . 2]" 1
179 1 28 ALA H 1 30 GLY H 4.800 . 5.800 4.580 4.211 4.915 . 0 0 "[ . 1 . 2]" 1
180 1 28 ALA HA 1 29 ASP H 2.500 . 2.800 2.543 2.388 2.794 . 0 0 "[ . 1 . 2]" 1
181 1 28 ALA HA 1 29 ASP HA 4.800 . 5.800 4.476 4.438 4.603 . 0 0 "[ . 1 . 2]" 1
182 1 28 ALA HA 1 30 GLY H 3.000 . 5.600 3.419 3.166 3.639 . 0 0 "[ . 1 . 2]" 1
183 1 28 ALA HA 1 31 TYR H 4.800 . 5.800 5.225 4.994 5.384 . 0 0 "[ . 1 . 2]" 1
184 1 28 ALA MB 1 29 ASP H 4.800 . 5.800 3.704 3.678 3.720 . 0 0 "[ . 1 . 2]" 1
185 1 28 ALA MB 1 29 ASP HA 4.800 . 5.800 4.204 4.161 4.228 . 0 0 "[ . 1 . 2]" 1
186 1 28 ALA MB 1 30 GLY H 4.800 . 5.800 4.525 4.152 4.790 . 0 0 "[ . 1 . 2]" 1
187 1 29 ASP H 1 29 ASP HA 3.000 . 3.600 2.938 2.898 2.947 . 0 0 "[ . 1 . 2]" 1
188 1 29 ASP H 1 29 ASP QB 3.000 . 3.600 2.758 2.319 2.959 . 0 0 "[ . 1 . 2]" 1
189 1 29 ASP H 1 30 GLY H 2.500 . 2.800 2.073 1.978 2.350 . 0 0 "[ . 1 . 2]" 1
190 1 29 ASP H 1 30 GLY QA 4.800 . 5.800 4.113 4.019 4.356 . 0 0 "[ . 1 . 2]" 1
191 1 29 ASP H 1 31 TYR H 3.200 . 3.700 3.365 3.180 3.493 . 0 0 "[ . 1 . 2]" 1
192 1 29 ASP HA 1 30 GLY H 3.000 . 5.600 3.424 3.237 3.492 . 0 0 "[ . 1 . 2]" 1
193 1 29 ASP HA 1 30 GLY QA 4.800 . 5.800 4.189 4.127 4.211 . 0 0 "[ . 1 . 2]" 1
194 1 29 ASP HA 1 31 TYR H 4.800 . 5.800 4.724 4.431 4.869 . 0 0 "[ . 1 . 2]" 1
195 1 29 ASP QB 1 30 GLY H 4.800 . 5.800 3.547 2.895 3.860 . 0 0 "[ . 1 . 2]" 1
196 1 29 ASP QB 1 31 TYR H 4.800 . 5.800 3.665 2.744 4.059 . 0 0 "[ . 1 . 2]" 1
197 1 30 GLY H 1 31 TYR H 2.500 . 2.800 2.178 1.973 2.560 . 0 0 "[ . 1 . 2]" 1
198 1 30 GLY H 1 31 TYR QB 5.800 . 7.000 4.842 4.607 5.179 . 0 0 "[ . 1 . 2]" 1
199 1 30 GLY QA 1 31 TYR H 3.000 . 3.600 2.920 2.892 2.932 . 0 0 "[ . 1 . 2]" 1
200 1 30 GLY QA 1 31 TYR QD 4.800 . 5.800 3.112 2.843 3.550 . 0 0 "[ . 1 . 2]" 1
201 1 30 GLY QA 1 31 TYR QE 4.800 . 5.800 3.363 3.174 3.737 . 0 0 "[ . 1 . 2]" 1
202 1 31 TYR H 1 31 TYR HA 3.000 . 3.600 2.910 2.890 2.923 . 0 0 "[ . 1 . 2]" 1
203 1 31 TYR H 1 31 TYR QD 3.800 . 4.600 2.774 2.483 3.216 . 0 0 "[ . 1 . 2]" 1
204 1 31 TYR H 1 32 ILE H 4.000 . 5.200 4.374 4.357 4.386 . 0 0 "[ . 1 . 2]" 1
205 1 31 TYR H 1 69 ASP HA 4.800 . 5.800 5.408 5.055 5.759 . 0 0 "[ . 1 . 2]" 1
206 1 31 TYR HA 1 31 TYR QD 3.800 . 4.600 3.142 2.992 3.256 . 0 0 "[ . 1 . 2]" 1
207 1 31 TYR HA 1 32 ILE H 2.500 . 2.800 2.312 2.251 2.378 . 0 0 "[ . 1 . 2]" 1
208 1 31 TYR HA 1 32 ILE HB 4.800 . 5.800 4.721 4.674 4.805 . 0 0 "[ . 1 . 2]" 1
209 1 31 TYR HA 1 67 ARG QB 4.800 . 5.800 4.171 3.997 4.493 . 0 0 "[ . 1 . 2]" 1
210 1 31 TYR HA 1 68 ILE H 3.800 . 4.600 3.933 3.736 4.340 . 0 0 "[ . 1 . 2]" 1
211 1 31 TYR HA 1 69 ASP HA 3.000 . 3.600 2.990 2.798 3.272 . 0 0 "[ . 1 . 2]" 1
212 1 31 TYR HA 1 69 ASP QB 3.800 . 4.600 3.293 2.905 3.618 . 0 0 "[ . 1 . 2]" 1
213 1 31 TYR QB 1 32 ILE H 3.000 . 3.600 2.647 2.474 2.809 . 0 0 "[ . 1 . 2]" 1
214 1 31 TYR QB 1 32 ILE HA 4.800 . 5.800 4.086 4.072 4.103 . 0 0 "[ . 1 . 2]" 1
215 1 31 TYR QB 1 67 ARG QB 3.000 . 3.600 2.555 2.397 2.662 . 0 0 "[ . 1 . 2]" 1
216 1 31 TYR QB 1 67 ARG QD 3.000 . 3.600 2.506 2.060 2.811 . 0 0 "[ . 1 . 2]" 1
217 1 31 TYR QB 1 67 ARG QG 4.800 . 5.800 4.050 3.238 4.277 . 0 0 "[ . 1 . 2]" 1
218 1 31 TYR QB 1 68 ILE H 3.800 . 4.600 3.390 3.111 3.795 . 0 0 "[ . 1 . 2]" 1
219 1 31 TYR QD 1 32 ILE H 4.800 . 5.800 4.199 3.763 4.423 . 0 0 "[ . 1 . 2]" 1
220 1 31 TYR QD 1 67 ARG QB 4.800 . 5.800 3.488 3.154 3.701 . 0 0 "[ . 1 . 2]" 1
221 1 31 TYR QD 1 67 ARG QD 4.800 . 5.800 3.728 1.973 4.313 . 0 0 "[ . 1 . 2]" 1
222 1 31 TYR QD 1 67 ARG QG 5.800 . 7.000 4.975 2.810 5.439 . 0 0 "[ . 1 . 2]" 1
223 1 31 TYR QD 1 69 ASP HA 4.800 . 5.800 3.970 3.616 4.306 . 0 0 "[ . 1 . 2]" 1
224 1 31 TYR QD 1 69 ASP QB 3.800 . 4.600 2.120 1.962 2.408 . 0 0 "[ . 1 . 2]" 1
225 1 31 TYR QE 1 67 ARG QB 5.800 . 7.000 5.284 4.807 5.480 . 0 0 "[ . 1 . 2]" 1
226 1 31 TYR QE 1 69 ASP QB 3.800 . 4.600 2.700 2.450 3.035 . 0 0 "[ . 1 . 2]" 1
227 1 32 ILE H 1 32 ILE HA 3.000 . 3.600 2.945 2.943 2.946 . 0 0 "[ . 1 . 2]" 1
228 1 32 ILE H 1 32 ILE HB 3.000 . 3.600 2.811 2.787 2.859 . 0 0 "[ . 1 . 2]" 1
229 1 32 ILE H 1 33 ASP H 4.000 . 5.200 4.448 4.429 4.457 . 0 0 "[ . 1 . 2]" 1
230 1 32 ILE H 1 33 ASP HA 4.800 . 5.800 4.909 4.883 4.955 . 0 0 "[ . 1 . 2]" 1
231 1 32 ILE H 1 67 ARG QB 3.800 . 4.600 2.945 2.703 3.240 . 0 0 "[ . 1 . 2]" 1
232 1 32 ILE H 1 68 ILE H 2.500 . 2.800 2.269 2.153 2.481 . 0 0 "[ . 1 . 2]" 1
233 1 32 ILE H 1 68 ILE HB 3.000 . 3.600 3.578 3.483 3.610 0.010 8 0 "[ . 1 . 2]" 1
234 1 32 ILE H 1 68 ILE MG 4.800 . 5.800 4.631 4.416 4.732 . 0 0 "[ . 1 . 2]" 1
235 1 32 ILE H 1 68 ILE O 2.000 . 2.300 2.200 1.850 2.305 0.005 8 0 "[ . 1 . 2]" 1
236 1 32 ILE H 1 69 ASP HA 3.800 . 4.600 4.269 3.911 4.433 . 0 0 "[ . 1 . 2]" 1
237 1 32 ILE HA 1 32 ILE HB 3.000 . 3.600 3.017 3.011 3.020 . 0 0 "[ . 1 . 2]" 1
238 1 32 ILE HA 1 32 ILE QG 3.000 . 3.600 2.536 2.490 2.594 . 0 0 "[ . 1 . 2]" 1
239 1 32 ILE HA 1 32 ILE MG 3.000 . 3.600 2.279 2.153 2.348 . 0 0 "[ . 1 . 2]" 1
240 1 32 ILE HA 1 33 ASP H 2.500 . 2.800 2.283 2.233 2.334 . 0 0 "[ . 1 . 2]" 1
241 1 32 ILE HB 1 33 ASP H 4.800 . 5.800 3.659 3.550 3.764 . 0 0 "[ . 1 . 2]" 1
242 1 32 ILE HB 1 67 ARG HA 4.800 . 5.800 4.876 4.658 5.165 . 0 0 "[ . 1 . 2]" 1
243 1 32 ILE HB 1 68 ILE H 3.800 . 4.600 3.601 3.304 3.898 . 0 0 "[ . 1 . 2]" 1
244 1 32 ILE MG 1 33 ASP H 3.800 . 4.600 1.990 1.889 2.107 . 0 0 "[ . 1 . 2]" 1
245 1 32 ILE O 1 68 ILE H 2.000 . 2.300 2.267 1.931 2.319 0.019 18 0 "[ . 1 . 2]" 1
246 1 33 ASP H 1 33 ASP HA 3.000 . 3.600 2.934 2.914 2.941 . 0 0 "[ . 1 . 2]" 1
247 1 33 ASP H 1 33 ASP QB 3.000 . 3.600 2.840 2.531 3.178 . 0 0 "[ . 1 . 2]" 1
248 1 33 ASP H 1 34 LEU H 4.000 . 5.200 4.385 4.333 4.434 . 0 0 "[ . 1 . 2]" 1
249 1 33 ASP H 1 34 LEU HA 5.800 . 7.000 5.204 5.113 5.309 . 0 0 "[ . 1 . 2]" 1
250 1 33 ASP H 1 36 GLU H 3.200 . 3.700 3.157 2.983 3.311 . 0 0 "[ . 1 . 2]" 1
251 1 33 ASP H 1 36 GLU HA 4.800 . 5.800 5.046 4.755 5.287 . 0 0 "[ . 1 . 2]" 1
252 1 33 ASP H 1 36 GLU QB 3.000 . 3.600 2.263 1.997 2.627 . 0 0 "[ . 1 . 2]" 1
253 1 33 ASP HA 1 34 LEU H 2.500 . 2.800 2.627 2.513 2.721 . 0 0 "[ . 1 . 2]" 1
254 1 33 ASP HA 1 34 LEU HA 4.800 . 5.800 4.310 4.299 4.320 . 0 0 "[ . 1 . 2]" 1
255 1 33 ASP HA 1 35 GLU H 4.800 . 5.800 4.417 4.225 4.685 . 0 0 "[ . 1 . 2]" 1
256 1 33 ASP HA 1 36 GLU H 4.800 . 5.800 4.941 4.684 5.079 . 0 0 "[ . 1 . 2]" 1
257 1 33 ASP HA 1 57 MET ME 3.000 . 3.600 2.269 1.966 2.719 . 0 0 "[ . 1 . 2]" 1
258 1 33 ASP HA 1 67 ARG HA 3.000 . 3.600 2.756 2.558 2.980 . 0 0 "[ . 1 . 2]" 1
259 1 33 ASP HA 1 67 ARG QB 3.800 . 4.600 3.791 3.249 3.945 . 0 0 "[ . 1 . 2]" 1
260 1 33 ASP HA 1 67 ARG QG 4.800 . 5.800 3.521 2.834 5.226 . 0 0 "[ . 1 . 2]" 1
261 1 33 ASP HA 1 68 ILE H 3.800 . 4.600 4.331 3.972 4.416 . 0 0 "[ . 1 . 2]" 1
262 1 33 ASP QB 1 34 LEU H 3.000 . 3.600 2.212 1.941 2.930 . 0 0 "[ . 1 . 2]" 1
263 1 33 ASP QB 1 35 GLU H 3.800 . 4.600 2.677 2.249 3.115 . 0 0 "[ . 1 . 2]" 1
264 1 33 ASP QB 1 36 GLU H 3.800 . 4.600 3.534 2.830 4.168 . 0 0 "[ . 1 . 2]" 1
265 1 34 LEU H 1 34 LEU HA 2.500 . 2.800 2.794 2.764 2.825 0.025 3 0 "[ . 1 . 2]" 1
266 1 34 LEU H 1 34 LEU QB 3.000 . 3.600 2.231 2.042 2.744 . 0 0 "[ . 1 . 2]" 1
267 1 34 LEU H 1 35 GLU H 2.500 . 2.800 2.691 2.602 2.800 . 0 0 "[ . 1 . 2]" 1
268 1 34 LEU H 1 57 MET ME 4.800 . 5.800 3.802 3.232 4.438 . 0 0 "[ . 1 . 2]" 1
269 1 34 LEU H 1 68 ILE H 5.800 . 7.000 6.899 6.566 7.005 0.005 17 0 "[ . 1 . 2]" 1
270 1 34 LEU HA 1 35 GLU H 3.800 . 4.600 3.500 3.451 3.546 . 0 0 "[ . 1 . 2]" 1
271 1 34 LEU HA 1 53 ILE MG 4.800 . 5.800 3.024 2.569 3.621 . 0 0 "[ . 1 . 2]" 1
272 1 34 LEU QB 1 35 GLU H 3.000 . 3.600 2.816 2.568 3.206 . 0 0 "[ . 1 . 2]" 1
273 1 34 LEU QB 1 54 GLU HA 4.800 . 5.800 4.688 3.908 5.111 . 0 0 "[ . 1 . 2]" 1
274 1 35 GLU H 1 35 GLU HA 3.000 . 3.600 2.819 2.790 2.849 . 0 0 "[ . 1 . 2]" 1
275 1 35 GLU H 1 35 GLU QB 3.000 . 3.600 2.212 2.039 2.581 . 0 0 "[ . 1 . 2]" 1
276 1 35 GLU H 1 36 GLU H 2.500 . 2.800 2.776 2.589 2.811 0.011 2 0 "[ . 1 . 2]" 1
277 1 35 GLU H 1 36 GLU HA 4.800 . 5.800 5.348 5.221 5.381 . 0 0 "[ . 1 . 2]" 1
278 1 35 GLU H 1 37 LEU H 4.000 . 5.200 4.139 3.828 4.378 . 0 0 "[ . 1 . 2]" 1
279 1 35 GLU HA 1 36 GLU H 3.800 . 4.600 3.563 3.541 3.572 . 0 0 "[ . 1 . 2]" 1
280 1 35 GLU QB 1 36 GLU H 3.000 . 3.600 2.537 2.156 3.267 . 0 0 "[ . 1 . 2]" 1
281 1 36 GLU H 1 36 GLU HA 3.000 . 3.600 2.833 2.797 2.855 . 0 0 "[ . 1 . 2]" 1
282 1 36 GLU H 1 36 GLU QB 3.000 . 3.600 2.180 2.057 2.409 . 0 0 "[ . 1 . 2]" 1
283 1 36 GLU H 1 37 LEU H 2.500 . 2.800 2.669 2.529 2.800 . 0 0 "[ . 1 . 2]" 1
284 1 36 GLU H 1 38 LYS H 4.000 . 5.200 4.024 3.867 4.404 . 0 0 "[ . 1 . 2]" 1
285 1 36 GLU HA 1 36 GLU QG 3.000 . 3.600 2.181 2.025 2.461 . 0 0 "[ . 1 . 2]" 1
286 1 36 GLU HA 1 38 LYS H 4.800 . 5.800 4.048 3.837 4.402 . 0 0 "[ . 1 . 2]" 1
287 1 36 GLU HA 1 39 ILE H 3.800 . 4.400 3.385 3.199 3.653 . 0 0 "[ . 1 . 2]" 1
288 1 36 GLU HA 1 39 ILE MD 3.800 . 4.600 2.185 1.844 3.824 . 0 0 "[ . 1 . 2]" 1
289 1 36 GLU HA 1 39 ILE QG 3.800 . 4.600 2.933 2.220 4.039 . 0 0 "[ . 1 . 2]" 1
290 1 36 GLU HA 1 40 MET H 4.800 . 5.800 4.658 3.640 5.316 . 0 0 "[ . 1 . 2]" 1
291 1 36 GLU QB 1 37 LEU H 3.000 . 3.600 2.515 2.131 2.734 . 0 0 "[ . 1 . 2]" 1
292 1 37 LEU H 1 37 LEU QB 3.000 . 3.600 2.211 2.128 2.580 . 0 0 "[ . 1 . 2]" 1
293 1 37 LEU H 1 38 LYS H 2.500 . 2.800 2.775 2.684 2.850 0.050 20 0 "[ . 1 . 2]" 1
294 1 37 LEU H 1 39 ILE H 4.000 . 5.200 4.232 3.958 4.488 . 0 0 "[ . 1 . 2]" 1
295 1 37 LEU H 1 40 MET H 4.800 . 5.800 5.054 4.731 5.225 . 0 0 "[ . 1 . 2]" 1
296 1 37 LEU HA 1 40 MET HA 4.800 . 5.800 5.578 5.043 5.813 0.013 10 0 "[ . 1 . 2]" 1
297 1 37 LEU QB 1 53 ILE MG 3.800 . 4.600 2.616 1.887 3.144 . 0 0 "[ . 1 . 2]" 1
298 1 37 LEU QD 1 40 MET ME 4.800 . 5.800 2.879 2.106 3.208 . 0 0 "[ . 1 . 2]" 1
299 1 37 LEU MD2 1 57 MET ME 3.800 . 4.600 2.688 2.439 3.059 . 0 0 "[ . 1 . 2]" 1
300 1 37 LEU HG 1 39 ILE H 4.800 . 5.800 5.695 5.353 5.850 0.050 4 0 "[ . 1 . 2]" 1
301 1 37 LEU HG 1 53 ILE MG 3.800 . 4.600 3.021 1.921 3.906 . 0 0 "[ . 1 . 2]" 1
302 1 38 LYS H 1 39 ILE H 2.500 . 2.800 2.571 2.444 2.712 . 0 0 "[ . 1 . 2]" 1
303 1 38 LYS HA 1 39 ILE H 3.800 . 4.600 3.491 3.457 3.550 . 0 0 "[ . 1 . 2]" 1
304 1 38 LYS HA 1 53 ILE MG 3.800 . 4.600 2.928 2.300 3.455 . 0 0 "[ . 1 . 2]" 1
305 1 39 ILE H 1 39 ILE HA 3.000 . 3.600 2.853 2.829 2.866 . 0 0 "[ . 1 . 2]" 1
306 1 39 ILE H 1 39 ILE HB 3.000 . 3.600 2.615 2.578 2.645 . 0 0 "[ . 1 . 2]" 1
307 1 39 ILE H 1 39 ILE QG 3.000 . 3.600 2.028 1.944 2.500 . 0 0 "[ . 1 . 2]" 1
308 1 39 ILE H 1 40 MET H 2.500 . 2.800 2.576 2.474 2.694 . 0 0 "[ . 1 . 2]" 1
309 1 39 ILE H 1 42 GLN H 4.800 . 5.800 4.869 4.655 5.020 . 0 0 "[ . 1 . 2]" 1
310 1 39 ILE H 1 42 GLN QG 4.800 . 5.800 4.600 4.104 5.073 . 0 0 "[ . 1 . 2]" 1
311 1 39 ILE HA 1 39 ILE QG 3.000 . 3.600 2.117 2.059 2.170 . 0 0 "[ . 1 . 2]" 1
312 1 39 ILE HA 1 40 MET H 3.800 . 4.600 3.530 3.456 3.571 . 0 0 "[ . 1 . 2]" 1
313 1 39 ILE HA 1 40 MET QB 5.800 . 7.000 5.347 5.150 5.549 . 0 0 "[ . 1 . 2]" 1
314 1 39 ILE HA 1 41 LEU H 4.800 . 5.800 4.267 4.060 4.688 . 0 0 "[ . 1 . 2]" 1
315 1 39 ILE HA 1 42 GLN H 3.800 . 4.600 3.482 3.249 3.817 . 0 0 "[ . 1 . 2]" 1
316 1 39 ILE HA 1 42 GLN HA 4.800 . 5.800 5.386 5.016 5.781 . 0 0 "[ . 1 . 2]" 1
317 1 39 ILE HA 1 43 ALA H 4.800 . 5.800 5.153 4.428 5.788 . 0 0 "[ . 1 . 2]" 1
318 1 39 ILE HB 1 40 MET H 3.000 . 3.600 2.607 2.172 3.050 . 0 0 "[ . 1 . 2]" 1
319 1 40 MET H 1 40 MET HA 3.000 . 3.600 2.819 2.782 2.886 . 0 0 "[ . 1 . 2]" 1
320 1 40 MET H 1 41 LEU H 2.500 . 2.800 2.623 2.380 2.784 . 0 0 "[ . 1 . 2]" 1
321 1 40 MET HA 1 41 LEU H 3.800 . 4.600 3.509 3.486 3.566 . 0 0 "[ . 1 . 2]" 1
322 1 40 MET ME 1 41 LEU QB 4.800 . 5.800 3.582 1.826 4.129 . 0 0 "[ . 1 . 2]" 1
323 1 40 MET ME 1 41 LEU MD1 4.800 . 5.800 2.862 1.817 4.010 . 0 0 "[ . 1 . 2]" 1
324 1 40 MET ME 1 41 LEU HG 4.800 . 5.800 3.326 1.862 4.660 . 0 0 "[ . 1 . 2]" 1
325 1 40 MET ME 1 44 THR MG 4.800 . 5.800 3.832 3.569 4.026 . 0 0 "[ . 1 . 2]" 1
326 1 41 LEU H 1 41 LEU HA 3.000 . 3.600 2.842 2.815 2.867 . 0 0 "[ . 1 . 2]" 1
327 1 41 LEU H 1 41 LEU QB 3.000 . 3.600 2.195 2.040 2.648 . 0 0 "[ . 1 . 2]" 1
328 1 41 LEU H 1 42 GLN H 2.500 . 2.800 2.545 2.463 2.630 . 0 0 "[ . 1 . 2]" 1
329 1 41 LEU H 1 42 GLN HA 4.800 . 5.800 5.129 5.054 5.199 . 0 0 "[ . 1 . 2]" 1
330 1 41 LEU H 1 48 ILE HB 5.800 . 7.000 6.806 6.261 7.041 0.041 2 0 "[ . 1 . 2]" 1
331 1 41 LEU HA 1 44 THR H 3.000 . 3.600 3.626 3.617 3.635 0.035 6 0 "[ . 1 . 2]" 1
332 1 41 LEU QB 1 48 ILE MG 4.800 . 5.800 3.608 3.197 4.110 . 0 0 "[ . 1 . 2]" 1
333 1 42 GLN H 1 42 GLN HA 3.000 . 3.600 2.812 2.785 2.842 . 0 0 "[ . 1 . 2]" 1
334 1 42 GLN H 1 42 GLN QB 3.000 . 3.600 2.347 2.162 2.692 . 0 0 "[ . 1 . 2]" 1
335 1 42 GLN H 1 42 GLN QG 3.800 . 4.600 2.470 1.900 2.896 . 0 0 "[ . 1 . 2]" 1
336 1 42 GLN H 1 43 ALA H 2.500 . 2.800 2.615 2.536 2.689 . 0 0 "[ . 1 . 2]" 1
337 1 42 GLN H 1 43 ALA HA 4.800 . 5.800 5.174 5.129 5.226 . 0 0 "[ . 1 . 2]" 1
338 1 42 GLN H 1 44 THR H 4.000 . 5.200 4.511 4.164 4.639 . 0 0 "[ . 1 . 2]" 1
339 1 42 GLN HA 1 42 GLN QG 3.000 . 3.600 2.574 2.096 3.333 . 0 0 "[ . 1 . 2]" 1
340 1 42 GLN HA 1 43 ALA H 3.800 . 4.600 3.469 3.452 3.516 . 0 0 "[ . 1 . 2]" 1
341 1 42 GLN HA 1 43 ALA HA 4.800 . 5.800 4.869 4.851 4.901 . 0 0 "[ . 1 . 2]" 1
342 1 42 GLN HA 1 44 THR H 3.800 . 4.600 4.216 3.858 4.437 . 0 0 "[ . 1 . 2]" 1
343 1 42 GLN QB 1 43 ALA H 3.000 . 3.600 2.997 2.883 3.363 . 0 0 "[ . 1 . 2]" 1
344 1 42 GLN QB 1 44 THR H 4.800 . 5.800 4.935 4.811 5.055 . 0 0 "[ . 1 . 2]" 1
345 1 43 ALA H 1 43 ALA HA 3.000 . 3.600 2.777 2.742 2.791 . 0 0 "[ . 1 . 2]" 1
346 1 43 ALA H 1 43 ALA MB 3.000 . 3.600 2.155 2.071 2.230 . 0 0 "[ . 1 . 2]" 1
347 1 43 ALA H 1 44 THR H 2.500 . 2.800 2.797 2.765 2.828 0.028 18 0 "[ . 1 . 2]" 1
348 1 43 ALA HA 1 44 THR H 3.800 . 4.600 3.548 3.501 3.564 . 0 0 "[ . 1 . 2]" 1
349 1 43 ALA MB 1 44 THR HA 4.800 . 5.800 3.760 3.680 3.830 . 0 0 "[ . 1 . 2]" 1
350 1 44 THR H 1 44 THR HA 3.000 . 3.600 2.807 2.786 2.841 . 0 0 "[ . 1 . 2]" 1
351 1 44 THR H 1 44 THR HB 3.000 . 3.600 3.578 3.448 3.596 . 0 0 "[ . 1 . 2]" 1
352 1 44 THR H 1 44 THR MG 3.800 . 4.600 2.120 1.943 2.982 . 0 0 "[ . 1 . 2]" 1
353 1 44 THR H 1 45 GLY H 4.000 . 5.200 4.617 4.584 4.648 . 0 0 "[ . 1 . 2]" 1
354 1 44 THR H 1 45 GLY QA 4.800 . 6.800 5.188 5.122 5.302 . 0 0 "[ . 1 . 2]" 1
355 1 44 THR HA 1 44 THR HB 3.000 . 3.600 2.421 2.369 2.736 . 0 0 "[ . 1 . 2]" 1
356 1 44 THR HA 1 44 THR HG1 3.800 . 4.600 3.763 3.527 4.071 . 0 0 "[ . 1 . 2]" 1
357 1 44 THR HA 1 44 THR MG 3.000 . 3.600 2.457 2.207 2.547 . 0 0 "[ . 1 . 2]" 1
358 1 44 THR HA 1 45 GLY H 2.500 . 2.800 2.526 2.361 2.659 . 0 0 "[ . 1 . 2]" 1
359 1 44 THR HA 1 45 GLY QA 4.800 . 5.800 3.933 3.907 3.960 . 0 0 "[ . 1 . 2]" 1
360 1 44 THR HA 1 46 GLU H 3.800 . 4.600 4.325 4.213 4.622 0.022 9 0 "[ . 1 . 2]" 1
361 1 44 THR HB 1 45 GLY H 3.800 . 4.600 2.309 2.123 2.611 . 0 0 "[ . 1 . 2]" 1
362 1 44 THR HB 1 46 GLU H 3.800 . 4.600 2.958 2.226 3.468 . 0 0 "[ . 1 . 2]" 1
363 1 44 THR MG 1 45 GLY H 4.800 . 5.800 3.756 2.904 3.974 . 0 0 "[ . 1 . 2]" 1
364 1 44 THR MG 1 46 GLU H 4.800 . 5.800 4.281 3.841 4.885 . 0 0 "[ . 1 . 2]" 1
365 1 45 GLY H 1 46 GLU QG 3.800 . 4.600 3.305 2.948 3.981 . 0 0 "[ . 1 . 2]" 1
366 1 45 GLY QA 1 46 GLU H 3.000 . 3.600 2.819 2.609 2.885 . 0 0 "[ . 1 . 2]" 1
367 1 45 GLY QA 1 46 GLU HA 4.800 . 5.800 4.032 4.011 4.070 . 0 0 "[ . 1 . 2]" 1
368 1 46 GLU H 1 46 GLU HA 3.000 . 3.600 2.908 2.761 2.942 . 0 0 "[ . 1 . 2]" 1
369 1 46 GLU H 1 46 GLU QB 3.000 . 3.600 2.637 2.184 2.995 . 0 0 "[ . 1 . 2]" 1
370 1 46 GLU H 1 46 GLU QG 3.000 . 3.600 2.321 1.946 3.098 . 0 0 "[ . 1 . 2]" 1
371 1 46 GLU H 1 47 THR H 4.000 . 5.200 4.436 4.369 4.609 . 0 0 "[ . 1 . 2]" 1
372 1 46 GLU HA 1 46 GLU QG 3.000 . 3.600 2.768 2.190 3.334 . 0 0 "[ . 1 . 2]" 1
373 1 46 GLU HA 1 47 THR H 3.000 . 3.600 2.514 2.136 2.756 . 0 0 "[ . 1 . 2]" 1
374 1 46 GLU HA 1 47 THR MG 4.800 . 5.800 3.615 3.127 4.271 . 0 0 "[ . 1 . 2]" 1
375 1 46 GLU HA 1 48 ILE H 5.800 . 7.000 5.791 5.370 6.148 . 0 0 "[ . 1 . 2]" 1
376 1 46 GLU QB 1 47 THR H 3.000 . 3.600 2.358 1.929 3.227 . 0 0 "[ . 1 . 2]" 1
377 1 46 GLU QG 1 47 THR H 4.800 . 5.800 3.902 2.720 4.548 . 0 0 "[ . 1 . 2]" 1
378 1 47 THR H 1 47 THR HA 3.000 . 3.600 2.905 2.792 2.949 . 0 0 "[ . 1 . 2]" 1
379 1 47 THR H 1 47 THR MG 3.800 . 4.600 2.722 1.964 3.353 . 0 0 "[ . 1 . 2]" 1
380 1 47 THR H 1 48 ILE H 4.000 . 5.200 4.199 3.972 4.426 . 0 0 "[ . 1 . 2]" 1
381 1 47 THR HA 1 47 THR MG 3.000 . 3.600 2.382 2.210 2.564 . 0 0 "[ . 1 . 2]" 1
382 1 47 THR HA 1 48 ILE H 2.500 . 2.800 2.173 2.142 2.211 . 0 0 "[ . 1 . 2]" 1
383 1 47 THR HA 1 48 ILE HA 4.800 . 5.800 4.408 4.379 4.430 . 0 0 "[ . 1 . 2]" 1
384 1 47 THR HA 1 48 ILE HB 4.800 . 5.800 4.823 4.766 4.903 . 0 0 "[ . 1 . 2]" 1
385 1 48 ILE H 1 48 ILE HB 3.000 . 3.600 2.677 2.616 2.743 . 0 0 "[ . 1 . 2]" 1
386 1 48 ILE H 1 48 ILE QG 3.800 . 4.600 2.552 2.131 2.986 . 0 0 "[ . 1 . 2]" 1
387 1 48 ILE H 1 49 THR H 5.800 . 7.000 4.526 4.474 4.592 . 0 0 "[ . 1 . 2]" 1
388 1 48 ILE HA 1 49 THR HA 4.800 . 5.800 4.381 4.358 4.410 . 0 0 "[ . 1 . 2]" 1
389 1 48 ILE HB 1 49 THR H 3.800 . 4.600 3.693 3.478 3.925 . 0 0 "[ . 1 . 2]" 1
390 1 48 ILE HB 1 53 ILE H 4.800 . 5.800 5.662 5.171 5.810 0.010 12 0 "[ . 1 . 2]" 1
391 1 48 ILE MG 1 50 GLU HA 5.800 . 7.000 4.504 4.340 4.638 . 0 0 "[ . 1 . 2]" 1
392 1 48 ILE MG 1 52 ASP HA 5.800 . 7.000 4.463 4.047 4.796 . 0 0 "[ . 1 . 2]" 1
393 1 48 ILE MG 1 52 ASP QB 4.800 . 5.800 2.083 1.775 2.384 0.025 17 0 "[ . 1 . 2]" 1
394 1 49 THR H 1 49 THR HA 3.000 . 3.600 2.936 2.908 2.947 . 0 0 "[ . 1 . 2]" 1
395 1 49 THR H 1 49 THR MG 3.800 . 4.600 2.785 1.944 3.858 . 0 0 "[ . 1 . 2]" 1
396 1 49 THR H 1 50 GLU H 4.800 . 5.800 4.536 4.492 4.583 . 0 0 "[ . 1 . 2]" 1
397 1 49 THR H 1 51 ASP H 4.800 . 5.800 4.970 4.686 5.495 . 0 0 "[ . 1 . 2]" 1
398 1 49 THR H 1 52 ASP HA 5.800 . 7.000 5.159 4.842 5.472 . 0 0 "[ . 1 . 2]" 1
399 1 49 THR H 1 52 ASP QB 3.800 . 4.600 2.258 1.979 2.528 . 0 0 "[ . 1 . 2]" 1
400 1 49 THR H 1 53 ILE H 4.800 . 5.800 4.501 4.050 4.767 . 0 0 "[ . 1 . 2]" 1
401 1 49 THR HA 1 50 GLU H 2.500 . 2.800 2.386 2.318 2.445 . 0 0 "[ . 1 . 2]" 1
402 1 49 THR HA 1 50 GLU HA 4.800 . 5.800 4.300 4.295 4.307 . 0 0 "[ . 1 . 2]" 1
403 1 49 THR HA 1 50 GLU QB 4.800 . 5.800 4.367 4.172 4.682 . 0 0 "[ . 1 . 2]" 1
404 1 49 THR HA 1 52 ASP H 4.800 . 5.800 4.548 4.445 4.837 . 0 0 "[ . 1 . 2]" 1
405 1 49 THR HA 1 53 ILE H 4.800 . 5.800 5.523 5.202 5.738 . 0 0 "[ . 1 . 2]" 1
406 1 49 THR MG 1 50 GLU H 4.800 . 5.800 3.224 1.964 3.818 . 0 0 "[ . 1 . 2]" 1
407 1 50 GLU H 1 50 GLU HA 3.000 . 3.600 2.812 2.791 2.846 . 0 0 "[ . 1 . 2]" 1
408 1 50 GLU H 1 50 GLU QB 3.000 . 3.600 2.254 2.056 2.594 . 0 0 "[ . 1 . 2]" 1
409 1 50 GLU H 1 50 GLU QG 3.800 . 4.600 2.969 1.968 3.998 . 0 0 "[ . 1 . 2]" 1
410 1 50 GLU H 1 51 ASP H 2.500 . 2.800 2.636 2.517 2.801 0.001 12 0 "[ . 1 . 2]" 1
411 1 50 GLU H 1 52 ASP H 4.800 . 5.800 4.111 3.904 4.400 . 0 0 "[ . 1 . 2]" 1
412 1 50 GLU HA 1 51 ASP H 3.800 . 4.600 3.496 3.482 3.562 . 0 0 "[ . 1 . 2]" 1
413 1 50 GLU HA 1 51 ASP HA 4.800 . 5.800 4.747 4.712 4.832 . 0 0 "[ . 1 . 2]" 1
414 1 50 GLU HA 1 52 ASP H 4.800 . 5.800 4.191 3.936 4.519 . 0 0 "[ . 1 . 2]" 1
415 1 50 GLU HA 1 53 ILE H 3.800 . 4.600 3.568 3.266 3.738 . 0 0 "[ . 1 . 2]" 1
416 1 50 GLU HA 1 53 ILE HA 5.800 . 7.000 5.749 5.375 5.927 . 0 0 "[ . 1 . 2]" 1
417 1 50 GLU HA 1 53 ILE MG 4.800 . 5.800 4.627 4.216 4.831 . 0 0 "[ . 1 . 2]" 1
418 1 51 ASP H 1 51 ASP HA 3.000 . 3.600 2.850 2.767 2.875 . 0 0 "[ . 1 . 2]" 1
419 1 51 ASP H 1 52 ASP H 2.500 . 2.800 2.512 2.419 2.748 . 0 0 "[ . 1 . 2]" 1
420 1 51 ASP H 1 52 ASP HA 4.800 . 5.800 5.132 5.054 5.326 . 0 0 "[ . 1 . 2]" 1
421 1 51 ASP H 1 52 ASP QB 5.800 . 7.000 4.290 4.156 4.465 . 0 0 "[ . 1 . 2]" 1
422 1 51 ASP H 1 53 ILE H 4.000 . 5.200 4.192 4.005 4.577 . 0 0 "[ . 1 . 2]" 1
423 1 51 ASP H 1 53 ILE HB 4.800 . 5.800 5.623 5.331 5.807 0.007 12 0 "[ . 1 . 2]" 1
424 1 51 ASP H 1 54 GLU H 4.800 . 5.800 4.944 4.706 5.204 . 0 0 "[ . 1 . 2]" 1
425 1 51 ASP HA 1 52 ASP H 3.800 . 4.600 3.494 3.474 3.554 . 0 0 "[ . 1 . 2]" 1
426 1 51 ASP HA 1 53 ILE H 4.800 . 5.800 4.363 3.952 4.715 . 0 0 "[ . 1 . 2]" 1
427 1 51 ASP HA 1 54 GLU H 3.800 . 4.600 3.465 3.302 3.589 . 0 0 "[ . 1 . 2]" 1
428 1 51 ASP HA 1 55 GLU H 4.800 . 5.800 4.874 4.120 5.400 . 0 0 "[ . 1 . 2]" 1
429 1 51 ASP QB 1 52 ASP H 3.000 . 3.600 2.837 2.564 2.965 . 0 0 "[ . 1 . 2]" 1
430 1 51 ASP QB 1 52 ASP HA 4.800 . 5.800 3.874 3.767 3.961 . 0 0 "[ . 1 . 2]" 1
431 1 52 ASP H 1 52 ASP HA 3.000 . 3.600 2.833 2.794 2.866 . 0 0 "[ . 1 . 2]" 1
432 1 52 ASP H 1 52 ASP QB 3.000 . 3.600 2.151 2.081 2.303 . 0 0 "[ . 1 . 2]" 1
433 1 52 ASP H 1 53 ILE H 2.500 . 2.800 2.609 2.477 2.786 . 0 0 "[ . 1 . 2]" 1
434 1 52 ASP HA 1 53 ILE H 3.800 . 4.600 3.529 3.489 3.560 . 0 0 "[ . 1 . 2]" 1
435 1 52 ASP HA 1 53 ILE HA 4.800 . 5.800 4.761 4.723 4.793 . 0 0 "[ . 1 . 2]" 1
436 1 52 ASP HA 1 54 GLU H 4.800 . 5.800 3.963 3.699 4.272 . 0 0 "[ . 1 . 2]" 1
437 1 52 ASP HA 1 54 GLU HA 5.800 . 7.000 6.476 6.337 6.668 . 0 0 "[ . 1 . 2]" 1
438 1 52 ASP HA 1 55 GLU H 3.800 . 4.600 3.691 3.455 3.999 . 0 0 "[ . 1 . 2]" 1
439 1 52 ASP HA 1 55 GLU HA 5.800 . 7.000 5.995 5.569 6.463 . 0 0 "[ . 1 . 2]" 1
440 1 52 ASP QB 1 53 ILE H 3.000 . 3.600 2.703 2.528 2.876 . 0 0 "[ . 1 . 2]" 1
441 1 53 ILE H 1 53 ILE HA 3.000 . 3.600 2.835 2.804 2.869 . 0 0 "[ . 1 . 2]" 1
442 1 53 ILE H 1 53 ILE HB 3.000 . 3.600 2.631 2.611 2.677 . 0 0 "[ . 1 . 2]" 1
443 1 53 ILE H 1 54 GLU H 2.500 . 2.800 2.575 2.489 2.662 . 0 0 "[ . 1 . 2]" 1
444 1 53 ILE H 1 54 GLU HA 5.800 . 7.000 5.140 5.019 5.242 . 0 0 "[ . 1 . 2]" 1
445 1 53 ILE H 1 55 GLU H 4.800 . 5.800 4.417 4.177 4.809 . 0 0 "[ . 1 . 2]" 1
446 1 53 ILE HA 1 53 ILE QG 3.000 . 3.600 2.129 2.074 2.278 . 0 0 "[ . 1 . 2]" 1
447 1 53 ILE HA 1 54 GLU H 3.800 . 4.600 3.447 3.355 3.508 . 0 0 "[ . 1 . 2]" 1
448 1 53 ILE HA 1 54 GLU HA 4.800 . 5.800 4.779 4.733 4.844 . 0 0 "[ . 1 . 2]" 1
449 1 53 ILE HA 1 56 LEU H 3.800 . 4.600 3.386 3.015 3.634 . 0 0 "[ . 1 . 2]" 1
450 1 53 ILE HA 1 56 LEU MD1 3.800 . 4.600 2.454 1.857 3.529 . 0 0 "[ . 1 . 2]" 1
451 1 53 ILE HA 1 57 MET H 4.800 . 5.800 4.752 4.371 5.118 . 0 0 "[ . 1 . 2]" 1
452 1 53 ILE HB 1 54 GLU H 3.000 . 3.600 3.065 2.783 3.390 . 0 0 "[ . 1 . 2]" 1
453 1 53 ILE MG 1 54 GLU H 4.800 . 5.800 3.899 3.746 4.069 . 0 0 "[ . 1 . 2]" 1
454 1 53 ILE MG 1 54 GLU HA 4.800 . 5.800 3.877 3.747 4.095 . 0 0 "[ . 1 . 2]" 1
455 1 54 GLU H 1 54 GLU HA 3.000 . 3.600 2.836 2.793 2.866 . 0 0 "[ . 1 . 2]" 1
456 1 54 GLU H 1 55 GLU H 2.500 . 2.800 2.611 2.455 2.802 0.002 4 0 "[ . 1 . 2]" 1
457 1 54 GLU HA 1 57 MET H 3.800 . 4.600 3.793 3.293 4.114 . 0 0 "[ . 1 . 2]" 1
458 1 54 GLU QB 1 55 GLU H 3.000 . 3.600 2.678 2.279 2.907 . 0 0 "[ . 1 . 2]" 1
459 1 55 GLU H 1 55 GLU HA 3.000 . 3.600 2.834 2.786 2.888 . 0 0 "[ . 1 . 2]" 1
460 1 55 GLU H 1 55 GLU QG 3.000 . 3.600 2.347 1.959 3.142 . 0 0 "[ . 1 . 2]" 1
461 1 55 GLU H 1 56 LEU H 2.500 . 2.800 2.560 2.361 2.711 . 0 0 "[ . 1 . 2]" 1
462 1 55 GLU H 1 57 MET H 4.000 . 5.200 4.537 4.310 4.783 . 0 0 "[ . 1 . 2]" 1
463 1 55 GLU HA 1 56 LEU H 3.800 . 4.600 3.472 3.430 3.523 . 0 0 "[ . 1 . 2]" 1
464 1 55 GLU QB 1 56 LEU H 3.800 . 4.600 3.294 2.636 3.670 . 0 0 "[ . 1 . 2]" 1
465 1 56 LEU H 1 56 LEU HA 3.000 . 3.600 2.805 2.782 2.845 . 0 0 "[ . 1 . 2]" 1
466 1 56 LEU H 1 56 LEU QB 3.000 . 3.600 2.073 2.027 2.149 . 0 0 "[ . 1 . 2]" 1
467 1 56 LEU H 1 56 LEU QD 4.800 . 5.800 3.208 2.152 3.551 . 0 0 "[ . 1 . 2]" 1
468 1 56 LEU H 1 57 MET H 2.500 . 2.800 2.772 2.601 2.814 0.014 8 0 "[ . 1 . 2]" 1
469 1 56 LEU H 1 59 ASP H 4.800 . 5.800 5.509 5.159 5.770 . 0 0 "[ . 1 . 2]" 1
470 1 56 LEU HA 1 57 MET H 3.800 . 4.600 3.557 3.537 3.569 . 0 0 "[ . 1 . 2]" 1
471 1 56 LEU QB 1 57 MET H 3.000 . 3.600 2.501 2.343 2.692 . 0 0 "[ . 1 . 2]" 1
472 1 57 MET H 1 57 MET HA 3.000 . 3.600 2.853 2.802 2.872 . 0 0 "[ . 1 . 2]" 1
473 1 57 MET H 1 57 MET QB 3.000 . 3.600 2.271 2.070 2.505 . 0 0 "[ . 1 . 2]" 1
474 1 57 MET H 1 58 LYS H 2.500 . 2.800 2.510 2.437 2.653 . 0 0 "[ . 1 . 2]" 1
475 1 57 MET H 1 58 LYS QB 4.800 . 5.800 4.230 4.148 4.366 . 0 0 "[ . 1 . 2]" 1
476 1 57 MET H 1 59 ASP H 4.800 . 5.800 5.053 4.836 5.244 . 0 0 "[ . 1 . 2]" 1
477 1 57 MET H 1 60 GLY H 4.800 . 5.800 4.949 4.691 5.127 . 0 0 "[ . 1 . 2]" 1
478 1 57 MET HA 1 57 MET ME 3.800 . 4.600 3.276 2.606 3.830 . 0 0 "[ . 1 . 2]" 1
479 1 57 MET HA 1 57 MET QG 3.000 . 3.600 2.369 2.034 3.022 . 0 0 "[ . 1 . 2]" 1
480 1 57 MET HA 1 58 LYS H 3.800 . 4.600 3.457 3.411 3.514 . 0 0 "[ . 1 . 2]" 1
481 1 57 MET HA 1 60 GLY H 3.800 . 4.600 3.436 3.236 3.622 . 0 0 "[ . 1 . 2]" 1
482 1 57 MET HA 1 60 GLY QA 4.800 . 5.800 3.351 3.193 3.547 . 0 0 "[ . 1 . 2]" 1
483 1 57 MET HA 1 61 ASP H 3.800 . 4.600 3.893 3.348 4.339 . 0 0 "[ . 1 . 2]" 1
484 1 57 MET HA 1 68 ILE HB 4.800 . 5.800 5.754 5.601 5.818 0.018 15 0 "[ . 1 . 2]" 1
485 1 57 MET HA 1 68 ILE MD 3.800 . 4.600 2.486 2.124 3.383 . 0 0 "[ . 1 . 2]" 1
486 1 57 MET HA 1 76 PHE QE 5.800 . 7.000 5.678 2.828 6.335 . 0 0 "[ . 1 . 2]" 1
487 1 57 MET QB 1 58 LYS H 3.000 . 3.600 2.957 2.771 3.100 . 0 0 "[ . 1 . 2]" 1
488 1 57 MET ME 1 67 ARG HA 3.000 . 3.600 2.564 1.971 2.864 . 0 0 "[ . 1 . 2]" 1
489 1 57 MET ME 1 68 ILE QG 3.000 . 3.600 1.970 1.775 2.245 0.025 11 0 "[ . 1 . 2]" 1
490 1 58 LYS H 1 58 LYS HA 3.000 . 3.600 2.773 2.729 2.795 . 0 0 "[ . 1 . 2]" 1
491 1 58 LYS H 1 58 LYS QB 3.000 . 3.600 2.124 2.039 2.231 . 0 0 "[ . 1 . 2]" 1
492 1 58 LYS H 1 59 ASP H 3.200 . 3.700 3.109 3.038 3.224 . 0 0 "[ . 1 . 2]" 1
493 1 58 LYS H 1 59 ASP HA 5.800 . 7.000 5.550 5.514 5.620 . 0 0 "[ . 1 . 2]" 1
494 1 58 LYS HA 1 59 ASP H 3.800 . 4.600 3.569 3.555 3.579 . 0 0 "[ . 1 . 2]" 1
495 1 58 LYS HA 1 61 ASP H 3.800 . 4.600 3.702 3.398 4.098 . 0 0 "[ . 1 . 2]" 1
496 1 58 LYS QB 1 59 ASP H 3.000 . 3.600 2.057 1.936 2.353 . 0 0 "[ . 1 . 2]" 1
497 1 58 LYS QB 1 59 ASP HA 4.800 . 5.800 3.755 3.630 3.968 . 0 0 "[ . 1 . 2]" 1
498 1 58 LYS QG 1 59 ASP H 4.800 . 5.800 3.835 3.306 4.213 . 0 0 "[ . 1 . 2]" 1
499 1 59 ASP H 1 59 ASP HA 3.000 . 3.600 2.799 2.766 2.836 . 0 0 "[ . 1 . 2]" 1
500 1 59 ASP H 1 59 ASP QB 3.000 . 3.600 2.355 2.064 2.420 . 0 0 "[ . 1 . 2]" 1
501 1 59 ASP H 1 60 GLY H 2.500 . 2.800 2.684 2.566 2.773 . 0 0 "[ . 1 . 2]" 1
502 1 59 ASP H 1 60 GLY QA 4.800 . 5.800 4.552 4.451 4.642 . 0 0 "[ . 1 . 2]" 1
503 1 59 ASP H 1 61 ASP H 4.000 . 5.200 4.282 4.075 4.570 . 0 0 "[ . 1 . 2]" 1
504 1 59 ASP H 1 76 PHE QD 5.800 . 7.000 6.276 5.930 6.410 . 0 0 "[ . 1 . 2]" 1
505 1 59 ASP H 1 76 PHE QE 5.800 . 7.000 4.962 4.100 5.256 . 0 0 "[ . 1 . 2]" 1
506 1 59 ASP H 1 76 PHE HZ 4.800 . 5.800 5.261 4.120 5.722 . 0 0 "[ . 1 . 2]" 1
507 1 59 ASP HA 1 60 GLY H 3.800 . 4.600 3.460 3.428 3.515 . 0 0 "[ . 1 . 2]" 1
508 1 59 ASP HA 1 60 GLY QA 4.800 . 5.800 4.400 4.351 4.457 . 0 0 "[ . 1 . 2]" 1
509 1 59 ASP HA 1 61 ASP H 3.800 . 4.600 4.205 3.553 4.611 0.011 13 0 "[ . 1 . 2]" 1
510 1 59 ASP HA 1 62 LYS QD 4.800 . 5.800 4.872 4.188 5.231 . 0 0 "[ . 1 . 2]" 1
511 1 59 ASP HA 1 76 PHE QE 4.800 . 5.800 4.379 4.029 5.163 . 0 0 "[ . 1 . 2]" 1
512 1 59 ASP QB 1 60 GLY H 3.800 . 4.600 3.623 3.045 3.713 . 0 0 "[ . 1 . 2]" 1
513 1 59 ASP QB 1 61 ASP H 5.800 . 7.000 5.151 4.732 5.505 . 0 0 "[ . 1 . 2]" 1
514 1 59 ASP QB 1 76 PHE QE 3.800 . 4.600 2.526 2.339 3.707 . 0 0 "[ . 1 . 2]" 1
515 1 59 ASP QB 1 76 PHE HZ 4.800 . 5.800 3.857 3.248 4.002 . 0 0 "[ . 1 . 2]" 1
516 1 60 GLY H 1 60 GLY QA 2.500 . 2.800 2.229 2.204 2.260 . 0 0 "[ . 1 . 2]" 1
517 1 60 GLY H 1 61 ASP H 2.500 . 2.800 2.462 2.263 2.623 . 0 0 "[ . 1 . 2]" 1
518 1 60 GLY H 1 76 PHE QB 5.800 . 7.000 5.415 5.219 5.715 . 0 0 "[ . 1 . 2]" 1
519 1 60 GLY H 1 76 PHE QD 4.800 . 5.800 4.796 3.644 4.987 . 0 0 "[ . 1 . 2]" 1
520 1 60 GLY H 1 76 PHE QE 3.800 . 4.600 4.125 1.989 4.444 . 0 0 "[ . 1 . 2]" 1
521 1 60 GLY H 1 76 PHE HZ 5.800 . 7.000 4.422 3.413 4.859 . 0 0 "[ . 1 . 2]" 1
522 1 60 GLY QA 1 61 ASP H 3.000 . 3.600 2.791 2.631 2.925 . 0 0 "[ . 1 . 2]" 1
523 1 60 GLY QA 1 61 ASP HA 4.800 . 5.800 4.018 3.994 4.046 . 0 0 "[ . 1 . 2]" 1
524 1 60 GLY QA 1 68 ILE MD 3.800 . 4.600 2.242 1.915 2.903 . 0 0 "[ . 1 . 2]" 1
525 1 60 GLY QA 1 68 ILE QG 3.800 . 4.600 3.242 3.070 3.365 . 0 0 "[ . 1 . 2]" 1
526 1 60 GLY QA 1 76 PHE HA 4.800 . 5.800 4.339 3.975 4.702 . 0 0 "[ . 1 . 2]" 1
527 1 60 GLY QA 1 76 PHE QD 3.000 . 3.600 2.843 1.835 3.073 . 0 0 "[ . 1 . 2]" 1
528 1 60 GLY QA 1 76 PHE QE 4.800 . 5.800 3.225 1.947 3.536 . 0 0 "[ . 1 . 2]" 1
529 1 61 ASP H 1 61 ASP HA 3.000 . 3.600 2.874 2.815 2.929 . 0 0 "[ . 1 . 2]" 1
530 1 61 ASP H 1 61 ASP QB 3.000 . 3.600 2.282 2.160 2.382 . 0 0 "[ . 1 . 2]" 1
531 1 61 ASP H 1 62 LYS H 4.800 . 5.800 4.401 3.927 4.627 . 0 0 "[ . 1 . 2]" 1
532 1 61 ASP H 1 63 ASN H 5.800 . 7.000 5.929 5.556 6.237 . 0 0 "[ . 1 . 2]" 1
533 1 61 ASP HA 1 62 LYS H 2.500 . 2.800 2.173 2.138 2.292 . 0 0 "[ . 1 . 2]" 1
534 1 61 ASP HA 1 62 LYS QB 4.800 . 5.800 4.353 4.070 4.675 . 0 0 "[ . 1 . 2]" 1
535 1 61 ASP HA 1 62 LYS QG 4.800 . 5.800 4.147 3.401 5.255 . 0 0 "[ . 1 . 2]" 1
536 1 61 ASP QB 1 66 GLY H 4.800 . 5.800 3.788 3.073 4.229 . 0 0 "[ . 1 . 2]" 1
537 1 61 ASP OD1 1 66 GLY H 2.850 2.450 3.150 2.025 1.677 2.388 0.773 6 9 "[ *-.+ ** *** *]" 1
538 1 62 LYS H 1 62 LYS HA 3.000 . 3.600 2.933 2.886 2.948 . 0 0 "[ . 1 . 2]" 1
539 1 62 LYS H 1 62 LYS QB 3.000 . 3.600 2.442 2.252 2.666 . 0 0 "[ . 1 . 2]" 1
540 1 62 LYS H 1 63 ASN H 2.500 . 2.800 2.077 1.901 2.382 . 0 0 "[ . 1 . 2]" 1
541 1 62 LYS H 1 63 ASN HA 4.800 . 5.800 4.792 4.595 5.056 . 0 0 "[ . 1 . 2]" 1
542 1 62 LYS H 1 72 GLU HB2 4.800 . 5.800 3.792 2.600 5.243 . 0 0 "[ . 1 . 2]" 1
543 1 62 LYS HA 1 62 LYS QD 3.000 . 3.600 2.181 1.929 2.779 . 0 0 "[ . 1 . 2]" 1
544 1 62 LYS HA 1 62 LYS QG 3.000 . 3.600 2.793 2.288 3.018 . 0 0 "[ . 1 . 2]" 1
545 1 62 LYS HA 1 63 ASN H 3.800 . 4.600 3.448 3.313 3.505 . 0 0 "[ . 1 . 2]" 1
546 1 62 LYS HA 1 63 ASN HA 4.800 . 5.800 4.609 4.537 4.685 . 0 0 "[ . 1 . 2]" 1
547 1 62 LYS HA 1 64 ASN H 3.800 . 4.600 3.920 3.660 4.259 . 0 0 "[ . 1 . 2]" 1
548 1 62 LYS QB 1 63 ASN H 3.800 . 4.600 2.977 2.770 3.339 . 0 0 "[ . 1 . 2]" 1
549 1 62 LYS QB 1 64 ASN H 4.800 . 5.800 4.606 4.457 4.743 . 0 0 "[ . 1 . 2]" 1
550 1 63 ASN H 1 63 ASN HA 3.000 . 3.600 2.922 2.890 2.947 . 0 0 "[ . 1 . 2]" 1
551 1 63 ASN H 1 63 ASN QB 3.000 . 3.600 2.627 2.244 2.989 . 0 0 "[ . 1 . 2]" 1
552 1 63 ASN H 1 64 ASN H 2.500 . 2.800 2.294 2.079 2.652 . 0 0 "[ . 1 . 2]" 1
553 1 63 ASN H 1 64 ASN HA 3.800 . 4.600 4.484 4.335 4.623 0.023 1 0 "[ . 1 . 2]" 1
554 1 63 ASN H 1 65 ASP H 4.000 . 5.200 3.647 3.279 4.117 . 0 0 "[ . 1 . 2]" 1
555 1 63 ASN HA 1 64 ASN H 3.000 . 3.600 3.304 3.044 3.437 . 0 0 "[ . 1 . 2]" 1
556 1 63 ASN HA 1 64 ASN HA 4.800 . 5.800 5.151 5.015 5.230 . 0 0 "[ . 1 . 2]" 1
557 1 63 ASN HA 1 64 ASN QB 4.800 . 5.800 3.945 3.803 4.443 . 0 0 "[ . 1 . 2]" 1
558 1 63 ASN HA 1 65 ASP H 4.800 . 5.800 4.672 4.390 5.463 . 0 0 "[ . 1 . 2]" 1
559 1 63 ASN QB 1 64 ASN H 3.800 . 4.600 3.549 3.023 3.984 . 0 0 "[ . 1 . 2]" 1
560 1 64 ASN H 1 64 ASN HA 2.500 . 2.800 2.272 2.265 2.287 . 0 0 "[ . 1 . 2]" 1
561 1 64 ASN H 1 65 ASP H 3.200 . 3.700 2.655 2.514 2.973 . 0 0 "[ . 1 . 2]" 1
562 1 64 ASN H 1 66 GLY H 4.800 . 5.800 4.214 3.885 4.692 . 0 0 "[ . 1 . 2]" 1
563 1 64 ASN HA 1 65 ASP H 3.000 . 3.600 2.896 2.569 3.039 . 0 0 "[ . 1 . 2]" 1
564 1 64 ASN HA 1 65 ASP HA 4.800 . 5.800 4.579 4.456 4.761 . 0 0 "[ . 1 . 2]" 1
565 1 64 ASN HA 1 66 GLY H 3.000 . 3.600 3.364 3.026 3.646 0.046 6 0 "[ . 1 . 2]" 1
566 1 64 ASN HA 1 67 ARG H 5.800 . 7.000 5.281 4.814 5.707 . 0 0 "[ . 1 . 2]" 1
567 1 64 ASN QB 1 65 ASP H 4.800 . 5.800 3.822 3.695 4.059 . 0 0 "[ . 1 . 2]" 1
568 1 64 ASN QB 1 66 GLY H 5.800 . 7.000 4.739 4.097 5.300 . 0 0 "[ . 1 . 2]" 1
569 1 65 ASP H 1 65 ASP HA 3.000 . 3.600 2.915 2.820 2.946 . 0 0 "[ . 1 . 2]" 1
570 1 65 ASP H 1 65 ASP QB 3.000 . 3.600 2.719 2.511 2.885 . 0 0 "[ . 1 . 2]" 1
571 1 65 ASP H 1 66 GLY H 2.500 . 2.800 2.378 1.972 2.640 . 0 0 "[ . 1 . 2]" 1
572 1 65 ASP H 1 67 ARG H 4.000 . 5.200 3.519 3.205 4.067 . 0 0 "[ . 1 . 2]" 1
573 1 65 ASP HA 1 66 GLY H 3.800 . 4.600 3.311 3.100 3.522 . 0 0 "[ . 1 . 2]" 1
574 1 65 ASP HA 1 66 GLY QA 4.800 . 5.800 4.191 4.136 4.242 . 0 0 "[ . 1 . 2]" 1
575 1 65 ASP HA 1 67 ARG H 4.800 . 5.800 4.736 4.353 5.038 . 0 0 "[ . 1 . 2]" 1
576 1 66 GLY H 1 66 GLY QA 2.500 . 2.800 2.252 2.195 2.355 . 0 0 "[ . 1 . 2]" 1
577 1 66 GLY H 1 67 ARG H 2.500 . 2.800 2.392 1.965 2.729 . 0 0 "[ . 1 . 2]" 1
578 1 66 GLY QA 1 67 ARG H 3.800 . 4.600 2.856 2.794 2.924 . 0 0 "[ . 1 . 2]" 1
579 1 67 ARG H 1 67 ARG QB 3.000 . 3.600 2.948 2.729 3.326 . 0 0 "[ . 1 . 2]" 1
580 1 67 ARG H 1 67 ARG QG 3.000 . 3.600 2.928 2.166 3.175 . 0 0 "[ . 1 . 2]" 1
581 1 67 ARG HA 1 67 ARG QD 4.800 . 5.800 3.899 3.475 4.244 . 0 0 "[ . 1 . 2]" 1
582 1 67 ARG HA 1 67 ARG QG 3.000 . 3.600 2.620 2.382 3.325 . 0 0 "[ . 1 . 2]" 1
583 1 67 ARG HA 1 68 ILE H 2.500 . 2.800 2.614 2.352 2.729 . 0 0 "[ . 1 . 2]" 1
584 1 67 ARG QG 1 68 ILE H 4.800 . 5.800 3.913 3.449 4.084 . 0 0 "[ . 1 . 2]" 1
585 1 68 ILE H 1 68 ILE HA 3.000 . 3.600 2.926 2.908 2.950 . 0 0 "[ . 1 . 2]" 1
586 1 68 ILE H 1 68 ILE HB 3.000 . 3.600 2.888 2.739 2.973 . 0 0 "[ . 1 . 2]" 1
587 1 68 ILE H 1 68 ILE QG 3.800 . 4.600 2.800 2.493 2.983 . 0 0 "[ . 1 . 2]" 1
588 1 68 ILE HA 1 68 ILE QG 3.000 . 3.600 2.151 2.067 2.303 . 0 0 "[ . 1 . 2]" 1
589 1 68 ILE HA 1 69 ASP H 2.500 . 2.800 2.221 2.171 2.351 . 0 0 "[ . 1 . 2]" 1
590 1 68 ILE HA 1 72 GLU H 4.800 . 5.800 5.076 4.366 5.505 . 0 0 "[ . 1 . 2]" 1
591 1 68 ILE HB 1 69 ASP H 3.800 . 4.600 3.888 3.605 4.022 . 0 0 "[ . 1 . 2]" 1
592 1 68 ILE QG 1 69 ASP H 3.800 . 4.600 2.154 1.919 2.363 . 0 0 "[ . 1 . 2]" 1
593 1 68 ILE MG 1 69 ASP HA 4.800 . 5.800 3.553 3.344 3.703 . 0 0 "[ . 1 . 2]" 1
594 1 68 ILE MG 1 72 GLU H 4.800 . 5.800 4.310 3.768 4.646 . 0 0 "[ . 1 . 2]" 1
595 1 68 ILE MG 1 73 PHE H 3.800 . 4.600 3.434 3.009 3.806 . 0 0 "[ . 1 . 2]" 1
596 1 68 ILE MG 1 73 PHE HA 3.000 . 3.600 3.098 3.059 3.131 . 0 0 "[ . 1 . 2]" 1
597 1 69 ASP H 1 69 ASP HA 3.000 . 3.600 2.929 2.891 2.937 . 0 0 "[ . 1 . 2]" 1
598 1 69 ASP H 1 69 ASP QB 3.000 . 3.600 3.116 3.052 3.251 . 0 0 "[ . 1 . 2]" 1
599 1 69 ASP H 1 70 TYR H 4.800 . 5.800 4.401 4.352 4.437 . 0 0 "[ . 1 . 2]" 1
600 1 69 ASP H 1 72 GLU H 3.200 . 3.700 3.301 2.647 3.687 . 0 0 "[ . 1 . 2]" 1
601 1 69 ASP H 1 72 GLU HA 4.800 . 5.800 5.156 4.472 5.549 . 0 0 "[ . 1 . 2]" 1
602 1 69 ASP H 1 72 GLU QG 3.000 . 3.600 2.303 1.857 3.110 . 0 0 "[ . 1 . 2]" 1
603 1 69 ASP HA 1 70 TYR H 2.500 . 2.800 2.555 2.444 2.701 . 0 0 "[ . 1 . 2]" 1
604 1 69 ASP HA 1 70 TYR HA 4.800 . 5.800 4.301 4.288 4.322 . 0 0 "[ . 1 . 2]" 1
605 1 69 ASP HA 1 70 TYR QB 4.800 . 5.800 4.352 4.270 4.489 . 0 0 "[ . 1 . 2]" 1
606 1 69 ASP HA 1 71 ASP H 4.800 . 5.800 4.266 4.143 4.476 . 0 0 "[ . 1 . 2]" 1
607 1 69 ASP QB 1 70 TYR H 3.000 . 3.600 2.133 1.939 2.319 . 0 0 "[ . 1 . 2]" 1
608 1 70 TYR H 1 70 TYR HA 3.000 . 3.600 2.795 2.772 2.823 . 0 0 "[ . 1 . 2]" 1
609 1 70 TYR H 1 70 TYR QB 3.000 . 3.600 2.242 2.214 2.256 . 0 0 "[ . 1 . 2]" 1
610 1 70 TYR H 1 70 TYR QD 4.800 . 5.800 4.164 4.094 4.200 . 0 0 "[ . 1 . 2]" 1
611 1 70 TYR H 1 71 ASP H 3.200 . 3.700 2.687 2.606 2.736 . 0 0 "[ . 1 . 2]" 1
612 1 70 TYR HA 1 70 TYR QD 3.000 . 3.600 2.373 2.066 3.077 . 0 0 "[ . 1 . 2]" 1
613 1 70 TYR HA 1 70 TYR QE 4.800 . 5.800 4.448 4.268 4.708 . 0 0 "[ . 1 . 2]" 1
614 1 70 TYR HA 1 71 ASP H 3.800 . 4.600 3.474 3.458 3.522 . 0 0 "[ . 1 . 2]" 1
615 1 70 TYR HA 1 71 ASP HA 4.800 . 5.800 4.746 4.694 4.807 . 0 0 "[ . 1 . 2]" 1
616 1 70 TYR HA 1 72 GLU H 4.800 . 5.800 4.886 4.669 5.034 . 0 0 "[ . 1 . 2]" 1
617 1 70 TYR HA 1 73 PHE H 3.000 . 3.600 3.562 3.436 3.616 0.016 3 0 "[ . 1 . 2]" 1
618 1 70 TYR HA 1 74 LEU H 4.800 . 5.800 4.078 3.598 4.422 . 0 0 "[ . 1 . 2]" 1
619 1 70 TYR HA 1 74 LEU QD 5.800 . 7.000 3.533 3.083 3.997 . 0 0 "[ . 1 . 2]" 1
620 1 70 TYR QB 1 71 ASP H 3.000 . 3.600 2.893 2.624 2.959 . 0 0 "[ . 1 . 2]" 1
621 1 70 TYR QD 1 71 ASP H 4.800 . 5.800 4.266 3.776 4.498 . 0 0 "[ . 1 . 2]" 1
622 1 70 TYR QD 1 71 ASP HA 4.800 . 5.800 4.216 3.197 4.683 . 0 0 "[ . 1 . 2]" 1
623 1 70 TYR QD 1 73 PHE H 5.800 . 7.000 5.311 5.127 5.507 . 0 0 "[ . 1 . 2]" 1
624 1 70 TYR QD 1 74 LEU MD2 3.800 . 4.600 3.122 2.545 3.607 . 0 0 "[ . 1 . 2]" 1
625 1 70 TYR QE 1 71 ASP H 5.800 . 7.000 6.159 5.945 6.381 . 0 0 "[ . 1 . 2]" 1
626 1 70 TYR QE 1 71 ASP HA 5.800 . 7.000 5.460 4.795 5.955 . 0 0 "[ . 1 . 2]" 1
627 1 70 TYR QE 1 74 LEU MD2 3.800 . 4.600 2.567 1.831 2.892 . 0 0 "[ . 1 . 2]" 1
628 1 70 TYR QE 1 74 LEU HG 4.800 . 5.600 4.260 3.343 4.825 . 0 0 "[ . 1 . 2]" 1
629 1 71 ASP H 1 71 ASP HA 3.000 . 3.600 2.852 2.809 2.885 . 0 0 "[ . 1 . 2]" 1
630 1 71 ASP H 1 71 ASP QB 3.000 . 3.600 2.235 2.066 2.586 . 0 0 "[ . 1 . 2]" 1
631 1 71 ASP H 1 72 GLU H 2.500 . 2.800 2.695 2.464 2.833 0.033 14 0 "[ . 1 . 2]" 1
632 1 71 ASP H 1 73 PHE H 4.000 . 5.200 3.607 3.515 3.769 . 0 0 "[ . 1 . 2]" 1
633 1 71 ASP HA 1 72 GLU H 3.800 . 4.600 3.564 3.547 3.572 . 0 0 "[ . 1 . 2]" 1
634 1 71 ASP HA 1 73 PHE H 4.800 . 5.800 4.167 3.932 4.321 . 0 0 "[ . 1 . 2]" 1
635 1 71 ASP HA 1 74 LEU H 3.800 . 4.600 3.872 3.542 4.161 . 0 0 "[ . 1 . 2]" 1
636 1 71 ASP HA 1 74 LEU QB 3.800 . 4.600 3.381 2.790 3.888 . 0 0 "[ . 1 . 2]" 1
637 1 71 ASP HA 1 74 LEU HG 4.800 . 5.800 4.784 3.012 5.796 . 0 0 "[ . 1 . 2]" 1
638 1 71 ASP HA 1 75 GLU H 4.800 . 5.800 5.265 4.306 5.807 0.007 17 0 "[ . 1 . 2]" 1
639 1 71 ASP QB 1 72 GLU H 3.000 . 3.600 2.377 2.090 2.633 . 0 0 "[ . 1 . 2]" 1
640 1 72 GLU H 1 72 GLU HA 3.000 . 3.600 2.851 2.831 2.877 . 0 0 "[ . 1 . 2]" 1
641 1 72 GLU H 1 72 GLU QB 3.000 . 3.600 2.554 2.447 2.718 . 0 0 "[ . 1 . 2]" 1
642 1 72 GLU H 1 72 GLU QG 3.000 . 3.600 2.061 1.951 2.309 . 0 0 "[ . 1 . 2]" 1
643 1 72 GLU H 1 73 PHE H 3.200 . 3.700 2.531 2.474 2.576 . 0 0 "[ . 1 . 2]" 1
644 1 72 GLU H 1 74 LEU H 4.000 . 5.200 4.324 4.091 4.690 . 0 0 "[ . 1 . 2]" 1
645 1 72 GLU H 1 75 GLU H 5.800 . 7.000 5.228 4.925 5.495 . 0 0 "[ . 1 . 2]" 1
646 1 72 GLU HA 1 72 GLU QG 3.000 . 3.600 3.058 2.518 3.332 . 0 0 "[ . 1 . 2]" 1
647 1 72 GLU HA 1 73 PHE H 3.800 . 4.600 3.435 3.336 3.485 . 0 0 "[ . 1 . 2]" 1
648 1 72 GLU HA 1 74 LEU H 3.800 . 4.600 4.214 3.843 4.601 0.001 11 0 "[ . 1 . 2]" 1
649 1 72 GLU HA 1 75 GLU QB 3.800 . 4.600 3.077 2.668 3.760 . 0 0 "[ . 1 . 2]" 1
650 1 72 GLU QB 1 73 PHE H 3.800 . 4.600 3.360 2.848 3.831 . 0 0 "[ . 1 . 2]" 1
651 1 73 PHE H 1 73 PHE HA 3.000 . 3.600 2.848 2.789 2.898 . 0 0 "[ . 1 . 2]" 1
652 1 73 PHE H 1 74 LEU H 2.500 . 2.800 2.535 2.308 2.693 . 0 0 "[ . 1 . 2]" 1
653 1 73 PHE H 1 74 LEU QB 4.800 . 5.800 4.242 4.035 4.545 . 0 0 "[ . 1 . 2]" 1
654 1 73 PHE H 1 75 GLU H 4.800 . 5.800 4.004 3.787 4.208 . 0 0 "[ . 1 . 2]" 1
655 1 73 PHE H 1 76 PHE H 4.800 . 5.800 4.689 4.498 4.940 . 0 0 "[ . 1 . 2]" 1
656 1 73 PHE QB 1 74 LEU H 3.000 . 3.600 2.664 2.417 2.807 . 0 0 "[ . 1 . 2]" 1
657 1 73 PHE QD 1 77 MET ME 5.800 . 7.000 4.404 3.238 5.053 . 0 0 "[ . 1 . 2]" 1
658 1 73 PHE QE 1 77 MET ME 4.800 . 5.800 2.857 1.865 3.458 . 0 0 "[ . 1 . 2]" 1
659 1 74 LEU H 1 74 LEU HA 3.000 . 3.600 2.808 2.775 2.865 . 0 0 "[ . 1 . 2]" 1
660 1 74 LEU H 1 74 LEU QB 3.000 . 3.600 2.105 2.029 2.379 . 0 0 "[ . 1 . 2]" 1
661 1 74 LEU H 1 74 LEU QD 3.800 . 4.600 2.533 2.013 3.060 . 0 0 "[ . 1 . 2]" 1
662 1 74 LEU H 1 74 LEU HG 3.800 . 4.600 4.000 2.435 4.396 . 0 0 "[ . 1 . 2]" 1
663 1 74 LEU H 1 75 GLU H 2.500 . 2.800 2.638 2.455 2.729 . 0 0 "[ . 1 . 2]" 1
664 1 74 LEU H 1 75 GLU HA 4.800 . 5.800 5.261 5.116 5.337 . 0 0 "[ . 1 . 2]" 1
665 1 74 LEU H 1 76 PHE H 4.000 . 5.200 4.088 3.885 4.239 . 0 0 "[ . 1 . 2]" 1
666 1 74 LEU HA 1 75 GLU H 3.800 . 4.600 3.485 3.462 3.518 . 0 0 "[ . 1 . 2]" 1
667 1 74 LEU HA 1 76 PHE H 4.800 . 5.800 4.457 4.269 4.677 . 0 0 "[ . 1 . 2]" 1
668 1 74 LEU HA 1 77 MET H 3.800 . 4.600 3.764 3.544 4.001 . 0 0 "[ . 1 . 2]" 1
669 1 74 LEU QB 1 75 GLU H 3.000 . 3.600 2.897 2.772 2.993 . 0 0 "[ . 1 . 2]" 1
670 1 75 GLU H 1 75 GLU HA 3.000 . 3.600 2.895 2.878 2.905 . 0 0 "[ . 1 . 2]" 1
671 1 75 GLU H 1 75 GLU QB 3.000 . 3.600 2.300 2.167 2.501 . 0 0 "[ . 1 . 2]" 1
672 1 75 GLU H 1 75 GLU QG 3.000 . 3.600 2.742 2.285 3.060 . 0 0 "[ . 1 . 2]" 1
673 1 75 GLU H 1 76 PHE H 2.500 . 2.800 2.340 2.283 2.445 . 0 0 "[ . 1 . 2]" 1
674 1 75 GLU H 1 76 PHE HA 5.800 . 7.000 4.997 4.927 5.101 . 0 0 "[ . 1 . 2]" 1
675 1 75 GLU H 1 77 MET H 4.000 . 5.200 3.881 3.735 4.102 . 0 0 "[ . 1 . 2]" 1
676 1 75 GLU H 1 78 LYS H 4.800 . 5.800 4.998 4.779 5.276 . 0 0 "[ . 1 . 2]" 1
677 1 75 GLU HA 1 76 PHE H 3.800 . 4.600 3.505 3.470 3.539 . 0 0 "[ . 1 . 2]" 1
678 1 75 GLU HA 1 77 MET H 3.800 . 4.600 4.106 3.702 4.480 . 0 0 "[ . 1 . 2]" 1
679 1 75 GLU HA 1 78 LYS H 3.000 . 3.600 3.529 3.346 3.615 0.015 8 0 "[ . 1 . 2]" 1
680 1 75 GLU QB 1 76 PHE H 3.000 . 3.600 2.744 2.525 2.891 . 0 0 "[ . 1 . 2]" 1
681 1 75 GLU QG 1 76 PHE H 4.800 . 5.800 4.240 3.994 4.480 . 0 0 "[ . 1 . 2]" 1
682 1 76 PHE H 1 76 PHE HA 3.000 . 3.600 2.833 2.794 2.869 . 0 0 "[ . 1 . 2]" 1
683 1 76 PHE H 1 76 PHE QB 3.000 . 3.600 2.251 2.138 2.277 . 0 0 "[ . 1 . 2]" 1
684 1 76 PHE H 1 77 MET H 3.200 . 3.700 2.573 2.433 2.718 . 0 0 "[ . 1 . 2]" 1
685 1 76 PHE H 1 77 MET QB 4.800 . 5.800 4.376 4.167 4.578 . 0 0 "[ . 1 . 2]" 1
686 1 76 PHE H 1 78 LYS H 4.000 . 5.200 3.959 3.720 4.183 . 0 0 "[ . 1 . 2]" 1
687 1 76 PHE HA 1 77 MET H 3.800 . 4.600 3.488 3.371 3.536 . 0 0 "[ . 1 . 2]" 1
688 1 76 PHE HA 1 79 GLY H 4.800 . 5.800 5.816 5.799 5.830 0.030 19 0 "[ . 1 . 2]" 1
689 1 76 PHE HA 1 80 VAL MG1 4.800 . 5.800 3.706 2.562 4.669 . 0 0 "[ . 1 . 2]" 1
690 1 76 PHE QB 1 77 MET H 3.800 . 4.600 2.809 2.556 3.224 . 0 0 "[ . 1 . 2]" 1
691 1 77 MET H 1 77 MET HA 3.000 . 3.600 2.913 2.885 2.935 . 0 0 "[ . 1 . 2]" 1
692 1 77 MET H 1 77 MET QB 3.000 . 3.600 2.192 2.099 2.297 . 0 0 "[ . 1 . 2]" 1
693 1 77 MET H 1 78 LYS H 2.500 . 2.800 2.517 2.339 2.603 . 0 0 "[ . 1 . 2]" 1
694 1 77 MET HA 1 77 MET ME 3.800 . 4.600 3.097 1.915 3.891 . 0 0 "[ . 1 . 2]" 1
695 1 77 MET HA 1 78 LYS H 3.000 . 3.600 3.202 3.094 3.299 . 0 0 "[ . 1 . 2]" 1
696 1 77 MET HA 1 79 GLY H 4.800 . 5.800 3.412 3.254 3.579 . 0 0 "[ . 1 . 2]" 1
697 1 77 MET HA 1 80 VAL H 5.800 . 7.000 4.339 4.028 4.760 . 0 0 "[ . 1 . 2]" 1
698 1 77 MET HA 1 80 VAL MG1 4.800 . 5.800 4.141 3.268 4.782 . 0 0 "[ . 1 . 2]" 1
699 1 77 MET HA 1 80 VAL MG2 3.000 . 3.600 2.619 2.417 2.839 . 0 0 "[ . 1 . 2]" 1
700 1 77 MET QB 1 78 LYS H 3.800 . 4.600 3.517 3.387 3.643 . 0 0 "[ . 1 . 2]" 1
701 1 78 LYS H 1 78 LYS HA 3.000 . 3.600 2.909 2.904 2.913 . 0 0 "[ . 1 . 2]" 1
702 1 78 LYS H 1 78 LYS QB 3.000 . 3.600 2.274 2.177 2.585 . 0 0 "[ . 1 . 2]" 1
703 1 78 LYS H 1 79 GLY H 4.000 . 5.200 3.158 2.981 3.327 . 0 0 "[ . 1 . 2]" 1
704 1 78 LYS H 1 80 VAL H 5.800 . 7.000 5.228 4.901 5.691 . 0 0 "[ . 1 . 2]" 1
705 1 78 LYS HA 1 78 LYS QD 4.800 . 5.800 3.546 2.505 4.053 . 0 0 "[ . 1 . 2]" 1
706 1 78 LYS HA 1 79 GLY H 3.000 . 3.600 2.790 2.674 2.912 . 0 0 "[ . 1 . 2]" 1
707 1 78 LYS HA 1 80 VAL H 5.800 . 7.000 5.612 5.298 5.788 . 0 0 "[ . 1 . 2]" 1
708 1 78 LYS QB 1 79 GLY H 3.800 . 4.600 3.893 3.810 4.062 . 0 0 "[ . 1 . 2]" 1
709 1 79 GLY H 1 80 VAL H 3.200 . 3.700 2.832 2.618 3.039 . 0 0 "[ . 1 . 2]" 1
710 1 79 GLY QA 1 80 VAL H 3.000 . 3.600 2.328 2.231 2.423 . 0 0 "[ . 1 . 2]" 1
711 1 80 VAL H 1 80 VAL HA 3.000 . 3.600 2.908 2.809 2.949 . 0 0 "[ . 1 . 2]" 1
712 1 80 VAL H 1 80 VAL HB 3.000 . 3.600 3.235 2.719 3.641 0.041 1 0 "[ . 1 . 2]" 1
713 1 80 VAL H 1 80 VAL QG 3.800 . 4.600 1.974 1.881 2.243 . 0 0 "[ . 1 . 2]" 1
714 1 80 VAL H 1 81 GLU H 3.200 . 3.700 2.443 1.990 2.897 0.010 14 0 "[ . 1 . 2]" 1
715 1 80 VAL HA 1 80 VAL QG 3.000 . 3.600 2.122 1.925 2.201 . 0 0 "[ . 1 . 2]" 1
716 1 80 VAL HA 1 81 GLU H 3.000 . 3.600 3.420 2.921 3.573 . 0 0 "[ . 1 . 2]" 1
717 1 80 VAL HA 1 81 GLU HA 4.800 . 5.800 4.644 4.551 4.835 . 0 0 "[ . 1 . 2]" 1
718 1 80 VAL HB 1 81 GLU HA 4.800 . 5.800 4.235 3.917 4.662 . 0 0 "[ . 1 . 2]" 1
719 1 80 VAL QG 1 81 GLU H 4.800 . 5.800 2.816 1.953 3.504 . 0 0 "[ . 1 . 2]" 1
720 1 81 GLU H 1 81 GLU HA 3.000 . 3.600 2.895 2.795 2.947 . 0 0 "[ . 1 . 2]" 1
721 1 81 GLU H 1 81 GLU QB 3.000 . 3.600 2.488 2.191 2.985 . 0 0 "[ . 1 . 2]" 1
722 1 81 GLU H 1 81 GLU QG 3.000 . 3.600 2.542 1.944 3.198 . 0 0 "[ . 1 . 2]" 1
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