NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
376318 |
1fi5   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1fi5
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 202
_Distance_constraint_stats_list.Viol_total 202.677
_Distance_constraint_stats_list.Viol_max 0.759
_Distance_constraint_stats_list.Viol_rms 0.0171
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0007
_Distance_constraint_stats_list.Viol_average_violations_only 0.0502
_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 0.015 0.009 20 0 "[ . 1 . 2]"
1 11 GLY 0.015 0.009 20 0 "[ . 1 . 2]"
1 12 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 THR 0.009 0.003 9 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 0.015 0.006 18 0 "[ . 1 . 2]"
1 17 LEU 0.031 0.019 7 0 "[ . 1 . 2]"
1 18 SER 0.006 0.006 10 0 "[ . 1 . 2]"
1 19 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 LEU 0.035 0.035 7 0 "[ . 1 . 2]"
1 21 PHE 0.026 0.013 13 0 "[ . 1 . 2]"
1 22 ARG 0.077 0.025 19 0 "[ . 1 . 2]"
1 23 MET 0.078 0.025 19 0 "[ . 1 . 2]"
1 24 PHE 0.077 0.016 12 0 "[ . 1 . 2]"
1 25 ASP 1.101 0.290 9 0 "[ . 1 . 2]"
1 26 LYS 0.020 0.007 19 0 "[ . 1 . 2]"
1 27 ASN 0.010 0.006 19 0 "[ . 1 . 2]"
1 28 ALA 0.012 0.004 3 0 "[ . 1 . 2]"
1 29 ASP 0.037 0.009 2 0 "[ . 1 . 2]"
1 30 GLY 1.081 0.290 9 0 "[ . 1 . 2]"
1 31 TYR 0.028 0.009 2 0 "[ . 1 . 2]"
1 32 ILE 0.091 0.016 12 0 "[ . 1 . 2]"
1 33 ASP 0.011 0.008 9 0 "[ . 1 . 2]"
1 34 LEU 0.005 0.003 16 0 "[ . 1 . 2]"
1 35 GLU 0.011 0.008 3 0 "[ . 1 . 2]"
1 36 GLU 0.023 0.008 3 0 "[ . 1 . 2]"
1 37 LEU 0.058 0.016 17 0 "[ . 1 . 2]"
1 38 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ILE 0.035 0.012 17 0 "[ . 1 . 2]"
1 40 MET 0.031 0.016 17 0 "[ . 1 . 2]"
1 41 LEU 0.015 0.009 18 0 "[ . 1 . 2]"
1 42 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 THR 0.005 0.004 13 0 "[ . 1 . 2]"
1 45 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ILE 0.086 0.032 15 0 "[ . 1 . 2]"
1 49 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ASP 0.072 0.032 15 0 "[ . 1 . 2]"
1 53 ILE 0.008 0.003 7 0 "[ . 1 . 2]"
1 54 GLU 0.008 0.007 16 0 "[ . 1 . 2]"
1 55 GLU 0.011 0.007 16 0 "[ . 1 . 2]"
1 56 LEU 0.003 0.003 5 0 "[ . 1 . 2]"
1 57 MET 0.038 0.010 16 0 "[ . 1 . 2]"
1 58 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 ASP 7.835 0.759 1 5 "[+ * * - . *]"
1 62 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ASN 0.138 0.018 2 0 "[ . 1 . 2]"
1 64 ASN 0.174 0.018 2 0 "[ . 1 . 2]"
1 65 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 GLY 7.871 0.759 1 5 "[+ * * - . *]"
1 67 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 ILE 0.098 0.010 15 0 "[ . 1 . 2]"
1 69 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 TYR 0.031 0.008 2 0 "[ . 1 . 2]"
1 71 ASP 0.073 0.015 2 0 "[ . 1 . 2]"
1 72 GLU 0.046 0.011 2 0 "[ . 1 . 2]"
1 73 PHE 0.031 0.008 2 0 "[ . 1 . 2]"
1 74 LEU 0.027 0.015 2 0 "[ . 1 . 2]"
1 75 GLU 0.037 0.012 16 0 "[ . 1 . 2]"
1 76 PHE 0.188 0.028 4 0 "[ . 1 . 2]"
1 77 MET 0.027 0.019 7 0 "[ . 1 . 2]"
1 78 LYS 0.029 0.012 16 0 "[ . 1 . 2]"
1 79 GLY 0.188 0.028 4 0 "[ . 1 . 2]"
1 80 VAL 0.116 0.039 16 0 "[ . 1 . 2]"
1 81 GLU 0.002 0.002 7 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 2.288 2.043 2.802 . 0 0 "[ . 1 . 2]" 1
2 1 8 ASP QB 1 9 SER H 4.800 . 5.800 2.959 1.983 4.021 . 0 0 "[ . 1 . 2]" 1
3 1 9 SER H 1 9 SER HA 3.000 . 3.600 2.883 2.797 2.933 . 0 0 "[ . 1 . 2]" 1
4 1 9 SER H 1 9 SER QB 3.000 . 3.600 2.342 2.089 2.779 . 0 0 "[ . 1 . 2]" 1
5 1 9 SER HA 1 10 LYS H 3.000 . 3.600 2.566 2.140 3.569 . 0 0 "[ . 1 . 2]" 1
6 1 10 LYS HA 1 11 GLY H 2.500 . 2.800 2.479 2.142 2.809 0.009 20 0 "[ . 1 . 2]" 1
7 1 11 GLY H 1 11 GLY QA 2.500 . 2.800 2.242 2.196 2.312 . 0 0 "[ . 1 . 2]" 1
8 1 11 GLY QA 1 12 LYS H 3.000 . 3.600 2.244 2.110 2.806 . 0 0 "[ . 1 . 2]" 1
9 1 12 LYS H 1 12 LYS HA 3.000 . 3.600 2.900 2.795 2.946 . 0 0 "[ . 1 . 2]" 1
10 1 12 LYS H 1 12 LYS QB 3.000 . 3.600 2.310 2.061 2.894 . 0 0 "[ . 1 . 2]" 1
11 1 12 LYS HA 1 13 THR H 2.500 . 2.800 2.290 2.139 2.675 . 0 0 "[ . 1 . 2]" 1
12 1 12 LYS QB 1 16 GLU QG 3.800 . 4.600 3.026 2.048 3.638 . 0 0 "[ . 1 . 2]" 1
13 1 12 LYS QG 1 16 GLU QB 4.800 . 4.800 3.421 2.072 3.901 . 0 0 "[ . 1 . 2]" 1
14 1 13 THR H 1 14 GLU H 4.000 . 5.200 4.296 2.725 4.538 . 0 0 "[ . 1 . 2]" 1
15 1 13 THR H 1 15 GLU HA 5.800 . 7.000 6.510 5.828 6.881 . 0 0 "[ . 1 . 2]" 1
16 1 13 THR H 1 16 GLU H 3.200 . 3.700 3.620 3.384 3.703 0.003 9 0 "[ . 1 . 2]" 1
17 1 13 THR H 1 16 GLU QB 3.800 . 4.600 3.539 3.073 3.994 . 0 0 "[ . 1 . 2]" 1
18 1 13 THR HA 1 13 THR HB 3.000 . 3.600 2.587 2.277 2.960 . 0 0 "[ . 1 . 2]" 1
19 1 13 THR HA 1 13 THR HG1 3.000 . 3.600 2.380 1.999 2.985 . 0 0 "[ . 1 . 2]" 1
20 1 13 THR HB 1 14 GLU H 3.000 . 3.600 2.608 1.979 3.562 . 0 0 "[ . 1 . 2]" 1
21 1 13 THR MG 1 14 GLU H 3.800 . 4.600 2.991 1.887 3.768 . 0 0 "[ . 1 . 2]" 1
22 1 14 GLU H 1 15 GLU H 2.500 . 2.800 2.637 2.371 2.796 . 0 0 "[ . 1 . 2]" 1
23 1 14 GLU H 1 15 GLU HA 4.800 . 5.800 5.209 5.028 5.345 . 0 0 "[ . 1 . 2]" 1
24 1 14 GLU H 1 16 GLU H 4.000 . 5.200 4.250 3.713 4.733 . 0 0 "[ . 1 . 2]" 1
25 1 14 GLU H 1 16 GLU QG 4.800 . 5.800 4.714 4.348 5.053 . 0 0 "[ . 1 . 2]" 1
26 1 14 GLU H 1 17 LEU H 4.800 . 5.800 5.417 4.979 5.740 . 0 0 "[ . 1 . 2]" 1
27 1 14 GLU HA 1 14 GLU QG 3.000 . 3.600 2.249 2.001 2.559 . 0 0 "[ . 1 . 2]" 1
28 1 14 GLU HA 1 15 GLU H 3.800 . 4.600 3.481 3.410 3.558 . 0 0 "[ . 1 . 2]" 1
29 1 14 GLU HA 1 16 GLU H 4.800 . 5.800 3.919 3.717 4.527 . 0 0 "[ . 1 . 2]" 1
30 1 14 GLU QB 1 15 GLU H 3.000 . 3.600 2.877 2.457 3.121 . 0 0 "[ . 1 . 2]" 1
31 1 14 GLU QG 1 15 GLU H 4.800 . 5.800 4.403 3.920 4.605 . 0 0 "[ . 1 . 2]" 1
32 1 15 GLU H 1 15 GLU HA 3.000 . 3.600 2.803 2.775 2.856 . 0 0 "[ . 1 . 2]" 1
33 1 15 GLU H 1 16 GLU H 2.500 . 2.800 2.665 2.500 2.735 . 0 0 "[ . 1 . 2]" 1
34 1 15 GLU QB 1 18 SER H 5.800 . 7.000 4.796 4.372 5.158 . 0 0 "[ . 1 . 2]" 1
35 1 16 GLU H 1 16 GLU HA 3.000 . 3.600 2.810 2.771 2.887 . 0 0 "[ . 1 . 2]" 1
36 1 16 GLU H 1 17 LEU H 2.500 . 2.800 2.661 2.369 2.806 0.006 18 0 "[ . 1 . 2]" 1
37 1 16 GLU H 1 17 LEU HA 5.800 . 7.000 5.231 5.009 5.377 . 0 0 "[ . 1 . 2]" 1
38 1 16 GLU H 1 18 SER H 4.000 . 5.200 4.197 3.789 4.533 . 0 0 "[ . 1 . 2]" 1
39 1 16 GLU H 1 19 ASP H 4.800 . 5.800 5.350 4.712 5.694 . 0 0 "[ . 1 . 2]" 1
40 1 16 GLU HA 1 17 LEU H 3.800 . 4.600 3.496 3.423 3.569 . 0 0 "[ . 1 . 2]" 1
41 1 16 GLU HA 1 19 ASP H 3.800 . 4.600 3.557 3.325 3.921 . 0 0 "[ . 1 . 2]" 1
42 1 16 GLU HA 1 19 ASP QB 3.800 . 4.600 3.387 2.899 3.738 . 0 0 "[ . 1 . 2]" 1
43 1 17 LEU H 1 17 LEU QB 3.000 . 3.600 2.195 2.060 2.375 . 0 0 "[ . 1 . 2]" 1
44 1 17 LEU H 1 17 LEU MD2 4.800 . 5.800 3.984 3.681 4.265 . 0 0 "[ . 1 . 2]" 1
45 1 17 LEU H 1 17 LEU HG 3.000 . 3.600 2.897 2.442 3.326 . 0 0 "[ . 1 . 2]" 1
46 1 17 LEU H 1 18 SER H 2.500 . 2.800 2.664 2.463 2.806 0.006 10 0 "[ . 1 . 2]" 1
47 1 17 LEU HA 1 17 LEU MD1 3.800 . 4.600 3.794 3.681 3.888 . 0 0 "[ . 1 . 2]" 1
48 1 17 LEU HA 1 17 LEU MD2 3.000 . 3.600 2.239 1.944 2.652 . 0 0 "[ . 1 . 2]" 1
49 1 17 LEU HA 1 17 LEU HG 3.000 . 3.600 2.598 2.286 2.850 . 0 0 "[ . 1 . 2]" 1
50 1 17 LEU HA 1 18 SER H 3.800 . 4.600 3.488 3.473 3.531 . 0 0 "[ . 1 . 2]" 1
51 1 17 LEU HA 1 19 ASP H 3.800 . 4.600 3.982 3.814 4.341 . 0 0 "[ . 1 . 2]" 1
52 1 17 LEU QB 1 18 SER H 3.000 . 3.600 2.857 2.696 2.955 . 0 0 "[ . 1 . 2]" 1
53 1 17 LEU QB 1 18 SER HA 4.800 . 5.800 3.879 3.797 3.915 . 0 0 "[ . 1 . 2]" 1
54 1 17 LEU QB 1 74 LEU HA 3.800 . 4.600 3.780 3.544 4.013 . 0 0 "[ . 1 . 2]" 1
55 1 17 LEU QD 1 77 MET QB 3.000 . 3.600 2.016 1.781 2.379 0.019 7 0 "[ . 1 . 2]" 1
56 1 17 LEU QD 1 77 MET ME 5.800 . 7.000 3.299 1.805 3.862 . 0 0 "[ . 1 . 2]" 1
57 1 17 LEU MD2 1 77 MET H 5.800 . 7.000 4.416 3.847 4.890 . 0 0 "[ . 1 . 2]" 1
58 1 17 LEU HG 1 74 LEU HA 5.800 . 7.000 5.408 4.640 5.785 . 0 0 "[ . 1 . 2]" 1
59 1 18 SER H 1 18 SER HA 3.000 . 3.600 2.802 2.785 2.845 . 0 0 "[ . 1 . 2]" 1
60 1 18 SER H 1 18 SER QB 3.000 . 3.600 2.365 2.170 2.816 . 0 0 "[ . 1 . 2]" 1
61 1 18 SER H 1 19 ASP H 2.500 . 2.800 2.662 2.525 2.708 . 0 0 "[ . 1 . 2]" 1
62 1 18 SER H 1 19 ASP QB 5.800 . 7.000 4.456 4.322 4.738 . 0 0 "[ . 1 . 2]" 1
63 1 18 SER H 1 20 LEU H 4.000 . 5.200 4.239 3.973 4.480 . 0 0 "[ . 1 . 2]" 1
64 1 18 SER H 1 21 PHE H 4.800 . 5.800 4.904 4.642 5.128 . 0 0 "[ . 1 . 2]" 1
65 1 18 SER H 1 70 TYR QE 4.800 . 5.800 2.897 2.409 4.184 . 0 0 "[ . 1 . 2]" 1
66 1 18 SER HA 1 19 ASP H 3.800 . 4.600 3.499 3.487 3.529 . 0 0 "[ . 1 . 2]" 1
67 1 18 SER HA 1 20 LEU H 3.800 . 4.600 4.332 3.927 4.595 . 0 0 "[ . 1 . 2]" 1
68 1 18 SER HA 1 21 PHE H 3.800 . 4.600 3.456 3.107 3.750 . 0 0 "[ . 1 . 2]" 1
69 1 18 SER HA 1 21 PHE QB 3.000 . 3.600 2.778 2.429 3.156 . 0 0 "[ . 1 . 2]" 1
70 1 18 SER HA 1 70 TYR QD 3.800 . 4.600 2.926 2.438 3.710 . 0 0 "[ . 1 . 2]" 1
71 1 18 SER HA 1 70 TYR QE 3.800 . 4.600 2.243 1.997 3.180 . 0 0 "[ . 1 . 2]" 1
72 1 18 SER QB 1 19 ASP H 3.800 . 4.600 3.117 2.606 3.540 . 0 0 "[ . 1 . 2]" 1
73 1 18 SER QB 1 70 TYR QE 3.800 . 4.600 2.392 1.856 3.226 . 0 0 "[ . 1 . 2]" 1
74 1 19 ASP H 1 19 ASP QB 3.000 . 3.600 2.215 2.073 2.485 . 0 0 "[ . 1 . 2]" 1
75 1 19 ASP H 1 20 LEU H 3.200 . 3.700 2.576 2.373 2.746 . 0 0 "[ . 1 . 2]" 1
76 1 19 ASP H 1 70 TYR QE 5.800 . 7.000 4.854 4.585 5.613 . 0 0 "[ . 1 . 2]" 1
77 1 19 ASP QB 1 20 LEU H 3.000 . 3.600 2.671 2.355 2.819 . 0 0 "[ . 1 . 2]" 1
78 1 20 LEU H 1 20 LEU QB 3.000 . 3.600 2.221 2.097 2.338 . 0 0 "[ . 1 . 2]" 1
79 1 20 LEU H 1 20 LEU HG 3.000 . 3.600 3.072 2.486 3.635 0.035 7 0 "[ . 1 . 2]" 1
80 1 20 LEU H 1 21 PHE H 2.500 . 2.800 2.554 2.358 2.706 . 0 0 "[ . 1 . 2]" 1
81 1 20 LEU H 1 21 PHE QB 4.800 . 5.800 4.324 4.141 4.476 . 0 0 "[ . 1 . 2]" 1
82 1 20 LEU HA 1 22 ARG H 4.800 . 5.800 4.224 3.920 4.570 . 0 0 "[ . 1 . 2]" 1
83 1 20 LEU HA 1 23 MET H 3.800 . 4.600 3.606 3.324 3.858 . 0 0 "[ . 1 . 2]" 1
84 1 20 LEU HG 1 21 PHE H 4.800 . 5.800 4.837 4.564 5.032 . 0 0 "[ . 1 . 2]" 1
85 1 21 PHE H 1 21 PHE QB 3.000 . 3.600 2.257 2.251 2.262 . 0 0 "[ . 1 . 2]" 1
86 1 21 PHE H 1 22 ARG H 3.200 . 3.700 2.594 2.508 2.726 . 0 0 "[ . 1 . 2]" 1
87 1 21 PHE H 1 22 ARG HA 5.800 . 7.000 5.192 5.074 5.319 . 0 0 "[ . 1 . 2]" 1
88 1 21 PHE HA 1 22 ARG H 3.800 . 4.600 3.510 3.453 3.552 . 0 0 "[ . 1 . 2]" 1
89 1 21 PHE HA 1 24 PHE H 3.000 . 3.600 3.491 3.273 3.613 0.013 13 0 "[ . 1 . 2]" 1
90 1 21 PHE QB 1 22 ARG H 3.000 . 3.600 2.708 2.449 2.995 . 0 0 "[ . 1 . 2]" 1
91 1 21 PHE QB 1 70 TYR HA 3.800 . 4.600 3.839 3.363 4.085 . 0 0 "[ . 1 . 2]" 1
92 1 21 PHE QB 1 70 TYR QE 5.800 . 7.000 4.085 3.435 5.166 . 0 0 "[ . 1 . 2]" 1
93 1 21 PHE QD 1 22 ARG HA 4.800 . 5.800 3.491 3.026 4.200 . 0 0 "[ . 1 . 2]" 1
94 1 21 PHE QE 1 22 ARG HA 4.800 . 5.800 4.808 4.529 5.271 . 0 0 "[ . 1 . 2]" 1
95 1 21 PHE QE 1 31 TYR HA 3.800 . 4.600 3.700 3.371 4.039 . 0 0 "[ . 1 . 2]" 1
96 1 21 PHE QE 1 32 ILE QG 3.800 . 4.600 3.074 2.397 3.868 . 0 0 "[ . 1 . 2]" 1
97 1 21 PHE QE 1 68 ILE MG 4.800 . 5.800 2.661 2.289 3.100 . 0 0 "[ . 1 . 2]" 1
98 1 21 PHE QE 1 69 ASP HA 3.800 . 4.600 2.793 2.306 3.393 . 0 0 "[ . 1 . 2]" 1
99 1 21 PHE QE 1 70 TYR HA 4.800 . 5.800 4.159 3.417 4.807 . 0 0 "[ . 1 . 2]" 1
100 1 21 PHE HZ 1 30 GLY QA 4.800 . 5.800 3.869 3.430 4.573 . 0 0 "[ . 1 . 2]" 1
101 1 21 PHE HZ 1 31 TYR HA 3.000 . 3.600 2.393 1.995 2.853 . 0 0 "[ . 1 . 2]" 1
102 1 21 PHE HZ 1 69 ASP HA 3.000 . 3.600 2.213 1.993 2.789 . 0 0 "[ . 1 . 2]" 1
103 1 21 PHE HZ 1 70 TYR HA 4.800 . 5.800 5.080 4.175 5.689 . 0 0 "[ . 1 . 2]" 1
104 1 22 ARG H 1 22 ARG QB 3.000 . 3.600 2.224 2.055 2.521 . 0 0 "[ . 1 . 2]" 1
105 1 22 ARG H 1 23 MET H 2.500 . 2.800 2.715 2.536 2.825 0.025 19 0 "[ . 1 . 2]" 1
106 1 22 ARG H 1 23 MET QG 4.800 . 5.800 4.309 3.664 5.021 . 0 0 "[ . 1 . 2]" 1
107 1 22 ARG HA 1 22 ARG QD 4.800 . 5.800 3.539 1.982 4.353 . 0 0 "[ . 1 . 2]" 1
108 1 22 ARG HA 1 22 ARG QG 3.800 . 4.600 2.380 2.034 3.353 . 0 0 "[ . 1 . 2]" 1
109 1 22 ARG HA 1 23 MET H 3.800 . 4.600 3.525 3.485 3.569 . 0 0 "[ . 1 . 2]" 1
110 1 22 ARG HA 1 24 PHE H 3.800 . 4.600 4.348 4.052 4.602 0.002 13 0 "[ . 1 . 2]" 1
111 1 22 ARG HA 1 25 ASP H 3.000 . 3.600 3.445 3.034 3.604 0.004 19 0 "[ . 1 . 2]" 1
112 1 22 ARG QB 1 23 MET H 3.800 . 4.600 2.655 2.187 3.526 . 0 0 "[ . 1 . 2]" 1
113 1 22 ARG QB 1 23 MET HA 4.800 . 5.800 3.912 3.674 4.349 . 0 0 "[ . 1 . 2]" 1
114 1 22 ARG QB 1 25 ASP H 4.800 . 5.800 4.888 4.712 5.041 . 0 0 "[ . 1 . 2]" 1
115 1 22 ARG QG 1 24 PHE H 5.800 . 7.000 5.561 4.498 5.897 . 0 0 "[ . 1 . 2]" 1
116 1 23 MET H 1 23 MET HA 3.000 . 3.600 2.805 2.769 2.859 . 0 0 "[ . 1 . 2]" 1
117 1 23 MET H 1 23 MET QG 3.000 . 3.600 2.422 1.921 2.982 . 0 0 "[ . 1 . 2]" 1
118 1 23 MET H 1 24 PHE H 2.500 . 2.800 2.689 2.477 2.804 0.004 12 0 "[ . 1 . 2]" 1
119 1 23 MET H 1 25 ASP H 4.000 . 5.200 4.120 3.957 4.249 . 0 0 "[ . 1 . 2]" 1
120 1 23 MET HA 1 23 MET ME 4.800 . 5.800 4.061 2.473 4.718 . 0 0 "[ . 1 . 2]" 1
121 1 23 MET QB 1 24 PHE H 3.000 . 3.600 2.928 2.559 3.287 . 0 0 "[ . 1 . 2]" 1
122 1 24 PHE H 1 24 PHE HA 3.000 . 3.600 2.824 2.784 2.904 . 0 0 "[ . 1 . 2]" 1
123 1 24 PHE H 1 24 PHE QB 3.000 . 3.600 2.145 2.045 2.340 . 0 0 "[ . 1 . 2]" 1
124 1 24 PHE H 1 25 ASP H 2.500 . 2.800 2.608 2.283 2.737 . 0 0 "[ . 1 . 2]" 1
125 1 24 PHE HA 1 25 ASP H 3.800 . 4.600 3.516 3.486 3.549 . 0 0 "[ . 1 . 2]" 1
126 1 24 PHE HA 1 37 LEU HA 4.800 . 5.800 5.494 4.921 5.807 0.007 13 0 "[ . 1 . 2]" 1
127 1 24 PHE QB 1 25 ASP H 3.000 . 3.600 2.765 2.574 2.900 . 0 0 "[ . 1 . 2]" 1
128 1 24 PHE QB 1 25 ASP HA 4.800 . 5.800 3.864 3.740 3.998 . 0 0 "[ . 1 . 2]" 1
129 1 24 PHE QB 1 32 ILE MD 3.000 . 3.600 1.990 1.784 2.564 0.016 12 0 "[ . 1 . 2]" 1
130 1 24 PHE QD 1 40 MET ME 4.800 . 5.800 3.562 2.736 4.320 . 0 0 "[ . 1 . 2]" 1
131 1 24 PHE QE 1 40 MET ME 4.800 . 5.800 3.015 1.994 4.000 . 0 0 "[ . 1 . 2]" 1
132 1 24 PHE HZ 1 40 MET ME 4.800 . 5.800 3.999 2.977 4.611 . 0 0 "[ . 1 . 2]" 1
133 1 25 ASP H 1 25 ASP HA 3.000 . 3.600 2.852 2.796 2.923 . 0 0 "[ . 1 . 2]" 1
134 1 25 ASP H 1 25 ASP QB 3.000 . 3.600 2.146 2.060 2.314 . 0 0 "[ . 1 . 2]" 1
135 1 25 ASP H 1 26 LYS H 4.000 . 5.200 4.562 4.331 4.642 . 0 0 "[ . 1 . 2]" 1
136 1 25 ASP H 1 32 ILE QG 3.800 . 4.600 3.845 3.271 4.069 . 0 0 "[ . 1 . 2]" 1
137 1 25 ASP HA 1 26 LYS H 2.500 . 2.800 2.237 2.141 2.528 . 0 0 "[ . 1 . 2]" 1
138 1 25 ASP HA 1 26 LYS HA 4.800 . 5.800 4.369 4.335 4.434 . 0 0 "[ . 1 . 2]" 1
139 1 25 ASP HA 1 26 LYS QB 4.800 . 5.800 4.072 3.920 4.410 . 0 0 "[ . 1 . 2]" 1
140 1 25 ASP HA 1 27 ASN H 3.800 . 4.600 4.418 3.963 4.601 0.001 14 0 "[ . 1 . 2]" 1
141 1 25 ASP HA 1 28 ALA H 3.800 . 4.600 4.174 3.812 4.603 0.003 18 0 "[ . 1 . 2]" 1
142 1 25 ASP HA 1 32 ILE HA 3.800 . 4.600 4.290 3.635 4.546 . 0 0 "[ . 1 . 2]" 1
143 1 25 ASP HA 1 32 ILE QG 3.000 . 3.600 2.444 1.984 2.910 . 0 0 "[ . 1 . 2]" 1
144 1 25 ASP HA 1 33 ASP H 4.800 . 5.800 5.606 4.997 5.808 0.008 9 0 "[ . 1 . 2]" 1
145 1 25 ASP QB 1 30 GLY H 4.800 . 5.800 4.087 3.884 4.786 . 0 0 "[ . 1 . 2]" 1
146 1 25 ASP OD1 1 30 GLY H 2.850 2.450 3.150 2.468 2.160 2.745 0.290 9 0 "[ . 1 . 2]" 1
147 1 26 LYS H 1 26 LYS HA 3.000 . 3.600 2.899 2.810 2.947 . 0 0 "[ . 1 . 2]" 1
148 1 26 LYS H 1 26 LYS QB 3.000 . 3.600 2.298 2.071 2.478 . 0 0 "[ . 1 . 2]" 1
149 1 26 LYS H 1 27 ASN H 2.500 . 2.800 2.501 2.008 2.806 0.006 19 0 "[ . 1 . 2]" 1
150 1 26 LYS H 1 28 ALA H 4.000 . 5.200 3.272 2.903 3.773 . 0 0 "[ . 1 . 2]" 1
151 1 26 LYS H 1 36 GLU HA 4.800 . 5.800 4.999 4.426 5.543 . 0 0 "[ . 1 . 2]" 1
152 1 26 LYS H 1 36 GLU QB 3.800 . 4.600 3.395 2.557 4.124 . 0 0 "[ . 1 . 2]" 1
153 1 26 LYS H 1 36 GLU QG 3.800 . 4.600 2.735 2.064 3.761 . 0 0 "[ . 1 . 2]" 1
154 1 26 LYS HA 1 26 LYS QD 3.000 . 3.600 2.284 1.982 3.214 . 0 0 "[ . 1 . 2]" 1
155 1 26 LYS HA 1 26 LYS QE 3.800 . 4.600 3.190 1.926 4.056 . 0 0 "[ . 1 . 2]" 1
156 1 26 LYS HA 1 26 LYS QG 3.000 . 3.600 2.652 2.219 2.935 . 0 0 "[ . 1 . 2]" 1
157 1 26 LYS HA 1 27 ASN H 3.800 . 4.600 3.561 3.511 3.572 . 0 0 "[ . 1 . 2]" 1
158 1 26 LYS HA 1 27 ASN HA 4.800 . 5.800 4.615 4.551 4.716 . 0 0 "[ . 1 . 2]" 1
159 1 26 LYS QB 1 27 ASN H 3.000 . 3.600 2.286 1.988 2.793 . 0 0 "[ . 1 . 2]" 1
160 1 26 LYS QB 1 28 ALA H 4.800 . 5.800 4.196 4.012 4.554 . 0 0 "[ . 1 . 2]" 1
161 1 26 LYS QB 1 36 GLU HG3 3.800 . 4.600 2.852 1.981 3.553 . 0 0 "[ . 1 . 2]" 1
162 1 26 LYS QB 1 39 ILE MG 4.800 . 5.800 4.005 3.546 4.238 . 0 0 "[ . 1 . 2]" 1
163 1 26 LYS HB2 1 39 ILE MD 4.800 . 5.800 3.128 1.947 3.562 . 0 0 "[ . 1 . 2]" 1
164 1 26 LYS HD3 1 39 ILE MD 3.800 . 4.600 3.121 1.912 4.366 . 0 0 "[ . 1 . 2]" 1
165 1 26 LYS HE2 1 39 ILE HB 5.800 . 7.000 3.982 2.320 5.512 . 0 0 "[ . 1 . 2]" 1
166 1 26 LYS HE2 1 39 ILE MG 3.800 . 4.600 2.782 1.879 4.091 . 0 0 "[ . 1 . 2]" 1
167 1 26 LYS QG 1 36 GLU HA 3.800 . 5.000 3.706 2.179 4.200 . 0 0 "[ . 1 . 2]" 1
168 1 26 LYS HG2 1 36 GLU HG3 3.800 . 4.600 4.162 3.161 4.607 0.007 19 0 "[ . 1 . 2]" 1
169 1 26 LYS HG2 1 39 ILE MD 4.800 . 5.800 2.548 1.954 3.587 . 0 0 "[ . 1 . 2]" 1
170 1 27 ASN H 1 27 ASN HA 3.000 . 3.600 2.906 2.812 2.944 . 0 0 "[ . 1 . 2]" 1
171 1 27 ASN H 1 27 ASN QB 3.000 . 3.600 2.686 2.275 2.979 . 0 0 "[ . 1 . 2]" 1
172 1 27 ASN H 1 28 ALA H 2.500 . 2.800 2.368 2.188 2.624 . 0 0 "[ . 1 . 2]" 1
173 1 27 ASN H 1 29 ASP H 4.800 . 5.800 4.242 3.796 4.864 . 0 0 "[ . 1 . 2]" 1
174 1 27 ASN HA 1 28 ALA H 3.800 . 4.600 3.343 3.075 3.485 . 0 0 "[ . 1 . 2]" 1
175 1 27 ASN HB2 1 28 ALA H 3.800 . 4.600 3.949 3.026 4.410 . 0 0 "[ . 1 . 2]" 1
176 1 28 ALA H 1 28 ALA HA 2.500 . 2.800 2.275 2.273 2.279 . 0 0 "[ . 1 . 2]" 1
177 1 28 ALA H 1 29 ASP H 3.200 . 3.700 2.858 2.622 3.064 . 0 0 "[ . 1 . 2]" 1
178 1 28 ALA H 1 29 ASP QB 5.800 . 7.000 4.724 4.414 4.840 . 0 0 "[ . 1 . 2]" 1
179 1 28 ALA H 1 30 GLY H 4.800 . 5.800 4.569 4.151 4.865 . 0 0 "[ . 1 . 2]" 1
180 1 28 ALA HA 1 29 ASP H 2.500 . 2.800 2.596 2.384 2.804 0.004 3 0 "[ . 1 . 2]" 1
181 1 28 ALA HA 1 29 ASP HA 4.800 . 5.800 4.513 4.441 4.583 . 0 0 "[ . 1 . 2]" 1
182 1 28 ALA HA 1 30 GLY H 3.000 . 5.600 3.381 3.084 3.571 . 0 0 "[ . 1 . 2]" 1
183 1 28 ALA HA 1 31 TYR H 4.800 . 5.800 5.359 4.746 5.648 . 0 0 "[ . 1 . 2]" 1
184 1 28 ALA MB 1 29 ASP H 4.800 . 5.800 3.703 3.679 3.722 . 0 0 "[ . 1 . 2]" 1
185 1 28 ALA MB 1 29 ASP HA 4.800 . 5.800 4.194 4.135 4.232 . 0 0 "[ . 1 . 2]" 1
186 1 28 ALA MB 1 30 GLY H 4.800 . 5.800 4.470 3.791 4.727 . 0 0 "[ . 1 . 2]" 1
187 1 29 ASP H 1 29 ASP HA 3.000 . 3.600 2.927 2.901 2.945 . 0 0 "[ . 1 . 2]" 1
188 1 29 ASP H 1 29 ASP QB 3.000 . 3.600 2.766 2.283 2.929 . 0 0 "[ . 1 . 2]" 1
189 1 29 ASP H 1 30 GLY H 2.500 . 2.800 2.171 1.994 2.564 . 0 0 "[ . 1 . 2]" 1
190 1 29 ASP H 1 30 GLY QA 4.800 . 5.800 4.204 4.049 4.358 . 0 0 "[ . 1 . 2]" 1
191 1 29 ASP H 1 31 TYR H 3.200 . 3.700 3.578 3.204 3.709 0.009 2 0 "[ . 1 . 2]" 1
192 1 29 ASP HA 1 30 GLY H 3.000 . 5.600 3.428 3.092 3.483 . 0 0 "[ . 1 . 2]" 1
193 1 29 ASP HA 1 30 GLY QA 4.800 . 5.800 4.190 4.131 4.208 . 0 0 "[ . 1 . 2]" 1
194 1 29 ASP HA 1 31 TYR H 4.800 . 5.800 4.753 4.388 5.105 . 0 0 "[ . 1 . 2]" 1
195 1 29 ASP QB 1 30 GLY H 4.800 . 5.800 3.601 2.917 3.817 . 0 0 "[ . 1 . 2]" 1
196 1 29 ASP QB 1 31 TYR H 4.800 . 5.800 3.695 2.655 4.387 . 0 0 "[ . 1 . 2]" 1
197 1 30 GLY H 1 31 TYR H 2.500 . 2.800 2.301 1.936 2.666 . 0 0 "[ . 1 . 2]" 1
198 1 30 GLY H 1 31 TYR QB 5.800 . 7.000 4.809 4.350 5.106 . 0 0 "[ . 1 . 2]" 1
199 1 30 GLY QA 1 31 TYR H 3.000 . 3.600 2.872 2.835 2.931 . 0 0 "[ . 1 . 2]" 1
200 1 30 GLY QA 1 31 TYR QD 4.800 . 5.800 3.318 2.661 4.085 . 0 0 "[ . 1 . 2]" 1
201 1 30 GLY QA 1 31 TYR QE 4.800 . 5.800 3.747 3.322 4.434 . 0 0 "[ . 1 . 2]" 1
202 1 31 TYR H 1 31 TYR HA 3.000 . 3.600 2.933 2.880 2.943 . 0 0 "[ . 1 . 2]" 1
203 1 31 TYR H 1 31 TYR QD 3.800 . 4.600 2.816 2.376 3.601 . 0 0 "[ . 1 . 2]" 1
204 1 31 TYR H 1 32 ILE H 4.000 . 5.200 4.437 4.348 4.459 . 0 0 "[ . 1 . 2]" 1
205 1 31 TYR H 1 69 ASP HA 4.800 . 5.800 5.278 5.009 5.689 . 0 0 "[ . 1 . 2]" 1
206 1 31 TYR HA 1 31 TYR QD 3.800 . 4.600 2.990 2.338 3.215 . 0 0 "[ . 1 . 2]" 1
207 1 31 TYR HA 1 32 ILE H 2.500 . 2.800 2.359 2.274 2.497 . 0 0 "[ . 1 . 2]" 1
208 1 31 TYR HA 1 32 ILE HB 4.800 . 5.800 4.693 4.661 4.748 . 0 0 "[ . 1 . 2]" 1
209 1 31 TYR HA 1 67 ARG QB 4.800 . 5.800 4.068 3.836 4.348 . 0 0 "[ . 1 . 2]" 1
210 1 31 TYR HA 1 68 ILE H 3.800 . 4.600 4.219 4.059 4.390 . 0 0 "[ . 1 . 2]" 1
211 1 31 TYR HA 1 69 ASP HA 3.000 . 3.600 2.800 2.564 3.053 . 0 0 "[ . 1 . 2]" 1
212 1 31 TYR HA 1 69 ASP QB 3.800 . 4.600 3.281 2.823 3.888 . 0 0 "[ . 1 . 2]" 1
213 1 31 TYR QB 1 32 ILE H 3.000 . 3.600 2.516 2.236 2.725 . 0 0 "[ . 1 . 2]" 1
214 1 31 TYR QB 1 32 ILE HA 4.800 . 5.800 4.074 4.053 4.096 . 0 0 "[ . 1 . 2]" 1
215 1 31 TYR QB 1 67 ARG QB 3.000 . 3.600 2.420 2.152 2.610 . 0 0 "[ . 1 . 2]" 1
216 1 31 TYR QB 1 67 ARG QD 3.000 . 3.600 2.494 1.910 2.811 . 0 0 "[ . 1 . 2]" 1
217 1 31 TYR QB 1 67 ARG QG 4.800 . 5.800 3.923 3.138 4.167 . 0 0 "[ . 1 . 2]" 1
218 1 31 TYR QB 1 68 ILE H 3.800 . 4.600 3.673 3.351 3.817 . 0 0 "[ . 1 . 2]" 1
219 1 31 TYR QD 1 32 ILE H 4.800 . 5.800 3.988 3.729 4.262 . 0 0 "[ . 1 . 2]" 1
220 1 31 TYR QD 1 67 ARG QB 4.800 . 5.800 3.297 2.828 3.969 . 0 0 "[ . 1 . 2]" 1
221 1 31 TYR QD 1 67 ARG QD 4.800 . 5.800 3.854 2.513 4.232 . 0 0 "[ . 1 . 2]" 1
222 1 31 TYR QD 1 67 ARG QG 5.800 . 7.000 4.983 2.574 5.557 . 0 0 "[ . 1 . 2]" 1
223 1 31 TYR QD 1 69 ASP HA 4.800 . 5.800 3.796 2.626 4.451 . 0 0 "[ . 1 . 2]" 1
224 1 31 TYR QD 1 69 ASP QB 3.800 . 4.600 2.209 1.964 2.595 . 0 0 "[ . 1 . 2]" 1
225 1 31 TYR QE 1 67 ARG QB 5.800 . 7.000 5.015 4.669 5.377 . 0 0 "[ . 1 . 2]" 1
226 1 31 TYR QE 1 69 ASP QB 3.800 . 4.600 2.641 1.964 3.109 . 0 0 "[ . 1 . 2]" 1
227 1 32 ILE H 1 32 ILE HA 3.000 . 3.600 2.944 2.942 2.946 . 0 0 "[ . 1 . 2]" 1
228 1 32 ILE H 1 32 ILE HB 3.000 . 3.600 2.802 2.789 2.813 . 0 0 "[ . 1 . 2]" 1
229 1 32 ILE H 1 33 ASP H 4.000 . 5.200 4.411 4.361 4.440 . 0 0 "[ . 1 . 2]" 1
230 1 32 ILE H 1 33 ASP HA 4.800 . 5.800 4.886 4.866 4.909 . 0 0 "[ . 1 . 2]" 1
231 1 32 ILE H 1 67 ARG QB 3.800 . 4.600 2.687 2.442 2.896 . 0 0 "[ . 1 . 2]" 1
232 1 32 ILE H 1 68 ILE H 2.500 . 2.800 2.321 2.147 2.489 . 0 0 "[ . 1 . 2]" 1
233 1 32 ILE H 1 68 ILE HB 3.000 . 3.600 3.569 3.334 3.610 0.010 15 0 "[ . 1 . 2]" 1
234 1 32 ILE H 1 68 ILE MG 4.800 . 5.800 4.592 4.379 4.686 . 0 0 "[ . 1 . 2]" 1
235 1 32 ILE H 1 68 ILE O 2.000 . 2.300 2.076 1.847 2.306 0.006 8 0 "[ . 1 . 2]" 1
236 1 32 ILE H 1 69 ASP HA 3.800 . 4.600 4.134 3.904 4.386 . 0 0 "[ . 1 . 2]" 1
237 1 32 ILE HA 1 32 ILE HB 3.000 . 3.600 3.018 3.016 3.020 . 0 0 "[ . 1 . 2]" 1
238 1 32 ILE HA 1 32 ILE QG 3.000 . 3.600 2.523 2.458 2.544 . 0 0 "[ . 1 . 2]" 1
239 1 32 ILE HA 1 32 ILE MG 3.000 . 3.600 2.263 2.201 2.356 . 0 0 "[ . 1 . 2]" 1
240 1 32 ILE HA 1 33 ASP H 2.500 . 2.800 2.229 2.181 2.273 . 0 0 "[ . 1 . 2]" 1
241 1 32 ILE HB 1 33 ASP H 4.800 . 5.800 3.851 3.737 4.005 . 0 0 "[ . 1 . 2]" 1
242 1 32 ILE HB 1 67 ARG HA 4.800 . 5.800 4.950 4.595 5.297 . 0 0 "[ . 1 . 2]" 1
243 1 32 ILE HB 1 68 ILE H 3.800 . 4.600 3.184 2.767 3.563 . 0 0 "[ . 1 . 2]" 1
244 1 32 ILE MG 1 33 ASP H 3.800 . 4.600 2.173 1.969 2.439 . 0 0 "[ . 1 . 2]" 1
245 1 32 ILE O 1 68 ILE H 2.000 . 2.300 2.074 1.819 2.234 . 0 0 "[ . 1 . 2]" 1
246 1 33 ASP H 1 33 ASP HA 3.000 . 3.600 2.937 2.931 2.939 . 0 0 "[ . 1 . 2]" 1
247 1 33 ASP H 1 33 ASP QB 3.000 . 3.600 3.009 2.602 3.156 . 0 0 "[ . 1 . 2]" 1
248 1 33 ASP H 1 34 LEU H 4.000 . 5.200 4.408 4.376 4.437 . 0 0 "[ . 1 . 2]" 1
249 1 33 ASP H 1 34 LEU HA 5.800 . 7.000 5.206 5.156 5.238 . 0 0 "[ . 1 . 2]" 1
250 1 33 ASP H 1 36 GLU H 3.200 . 3.700 3.299 3.033 3.524 . 0 0 "[ . 1 . 2]" 1
251 1 33 ASP H 1 36 GLU HA 4.800 . 5.800 4.964 4.753 5.114 . 0 0 "[ . 1 . 2]" 1
252 1 33 ASP H 1 36 GLU QB 3.000 . 3.600 2.184 1.969 2.430 . 0 0 "[ . 1 . 2]" 1
253 1 33 ASP HA 1 34 LEU H 2.500 . 2.800 2.578 2.494 2.649 . 0 0 "[ . 1 . 2]" 1
254 1 33 ASP HA 1 34 LEU HA 4.800 . 5.800 4.304 4.297 4.313 . 0 0 "[ . 1 . 2]" 1
255 1 33 ASP HA 1 35 GLU H 4.800 . 5.800 4.453 4.283 4.763 . 0 0 "[ . 1 . 2]" 1
256 1 33 ASP HA 1 36 GLU H 4.800 . 5.800 4.904 4.678 5.171 . 0 0 "[ . 1 . 2]" 1
257 1 33 ASP HA 1 57 MET ME 3.000 . 3.600 2.236 1.967 2.664 . 0 0 "[ . 1 . 2]" 1
258 1 33 ASP HA 1 67 ARG HA 3.000 . 3.600 3.042 2.752 3.320 . 0 0 "[ . 1 . 2]" 1
259 1 33 ASP HA 1 67 ARG QB 3.800 . 4.600 3.757 3.280 3.956 . 0 0 "[ . 1 . 2]" 1
260 1 33 ASP HA 1 67 ARG QG 4.800 . 5.800 3.047 2.562 5.191 . 0 0 "[ . 1 . 2]" 1
261 1 33 ASP HA 1 68 ILE H 3.800 . 4.600 4.135 3.844 4.380 . 0 0 "[ . 1 . 2]" 1
262 1 33 ASP QB 1 34 LEU H 3.000 . 3.600 2.199 1.956 2.963 . 0 0 "[ . 1 . 2]" 1
263 1 33 ASP QB 1 35 GLU H 3.800 . 4.600 2.844 2.394 3.153 . 0 0 "[ . 1 . 2]" 1
264 1 33 ASP QB 1 36 GLU H 3.800 . 4.600 3.656 2.629 4.145 . 0 0 "[ . 1 . 2]" 1
265 1 34 LEU H 1 34 LEU HA 2.500 . 2.800 2.794 2.783 2.803 0.003 16 0 "[ . 1 . 2]" 1
266 1 34 LEU H 1 34 LEU QB 3.000 . 3.600 2.231 2.081 2.581 . 0 0 "[ . 1 . 2]" 1
267 1 34 LEU H 1 35 GLU H 2.500 . 2.800 2.706 2.649 2.785 . 0 0 "[ . 1 . 2]" 1
268 1 34 LEU H 1 57 MET ME 4.800 . 5.800 3.691 3.161 4.129 . 0 0 "[ . 1 . 2]" 1
269 1 34 LEU H 1 68 ILE H 5.800 . 7.000 6.642 6.352 6.905 . 0 0 "[ . 1 . 2]" 1
270 1 34 LEU HA 1 35 GLU H 3.800 . 4.600 3.513 3.475 3.559 . 0 0 "[ . 1 . 2]" 1
271 1 34 LEU HA 1 53 ILE MG 4.800 . 5.800 2.728 2.197 3.301 . 0 0 "[ . 1 . 2]" 1
272 1 34 LEU QB 1 35 GLU H 3.000 . 3.600 2.703 2.428 2.901 . 0 0 "[ . 1 . 2]" 1
273 1 34 LEU QB 1 54 GLU HA 4.800 . 5.800 4.773 4.148 5.141 . 0 0 "[ . 1 . 2]" 1
274 1 35 GLU H 1 35 GLU HA 3.000 . 3.600 2.830 2.785 2.884 . 0 0 "[ . 1 . 2]" 1
275 1 35 GLU H 1 35 GLU QB 3.000 . 3.600 2.241 2.063 2.597 . 0 0 "[ . 1 . 2]" 1
276 1 35 GLU H 1 36 GLU H 2.500 . 2.800 2.735 2.608 2.808 0.008 3 0 "[ . 1 . 2]" 1
277 1 35 GLU H 1 36 GLU HA 4.800 . 5.800 5.315 5.219 5.390 . 0 0 "[ . 1 . 2]" 1
278 1 35 GLU H 1 37 LEU H 4.000 . 5.200 3.877 3.626 4.218 . 0 0 "[ . 1 . 2]" 1
279 1 35 GLU HA 1 36 GLU H 3.800 . 4.600 3.562 3.529 3.572 . 0 0 "[ . 1 . 2]" 1
280 1 35 GLU QB 1 36 GLU H 3.000 . 3.600 2.446 2.082 3.274 . 0 0 "[ . 1 . 2]" 1
281 1 36 GLU H 1 36 GLU HA 3.000 . 3.600 2.820 2.771 2.850 . 0 0 "[ . 1 . 2]" 1
282 1 36 GLU H 1 36 GLU QB 3.000 . 3.600 2.125 2.036 2.258 . 0 0 "[ . 1 . 2]" 1
283 1 36 GLU H 1 37 LEU H 2.500 . 2.800 2.624 2.516 2.745 . 0 0 "[ . 1 . 2]" 1
284 1 36 GLU H 1 38 LYS H 4.000 . 5.200 4.093 3.929 4.499 . 0 0 "[ . 1 . 2]" 1
285 1 36 GLU HA 1 36 GLU QG 3.000 . 3.600 2.181 2.008 2.433 . 0 0 "[ . 1 . 2]" 1
286 1 36 GLU HA 1 38 LYS H 4.800 . 5.800 4.288 4.110 4.670 . 0 0 "[ . 1 . 2]" 1
287 1 36 GLU HA 1 39 ILE H 3.800 . 4.400 3.642 3.529 3.789 . 0 0 "[ . 1 . 2]" 1
288 1 36 GLU HA 1 39 ILE MD 3.800 . 4.600 2.024 1.826 3.153 . 0 0 "[ . 1 . 2]" 1
289 1 36 GLU HA 1 39 ILE QG 3.800 . 4.600 3.132 2.110 3.516 . 0 0 "[ . 1 . 2]" 1
290 1 36 GLU HA 1 40 MET H 4.800 . 5.800 4.796 4.348 5.213 . 0 0 "[ . 1 . 2]" 1
291 1 36 GLU QB 1 37 LEU H 3.000 . 3.600 2.814 2.602 2.997 . 0 0 "[ . 1 . 2]" 1
292 1 37 LEU H 1 37 LEU QB 3.000 . 3.600 2.216 2.108 2.576 . 0 0 "[ . 1 . 2]" 1
293 1 37 LEU H 1 38 LYS H 2.500 . 2.800 2.498 2.395 2.650 . 0 0 "[ . 1 . 2]" 1
294 1 37 LEU H 1 39 ILE H 4.000 . 5.200 4.049 3.838 4.249 . 0 0 "[ . 1 . 2]" 1
295 1 37 LEU H 1 40 MET H 4.800 . 5.800 5.142 4.876 5.350 . 0 0 "[ . 1 . 2]" 1
296 1 37 LEU HA 1 40 MET HA 4.800 . 5.800 5.706 5.195 5.816 0.016 17 0 "[ . 1 . 2]" 1
297 1 37 LEU QB 1 53 ILE MG 3.800 . 4.600 2.419 1.859 2.924 . 0 0 "[ . 1 . 2]" 1
298 1 37 LEU QD 1 40 MET ME 4.800 . 5.800 2.891 2.419 3.243 . 0 0 "[ . 1 . 2]" 1
299 1 37 LEU MD2 1 57 MET ME 3.800 . 4.600 2.765 2.281 3.058 . 0 0 "[ . 1 . 2]" 1
300 1 37 LEU HG 1 39 ILE H 4.800 . 5.800 5.721 5.522 5.811 0.011 15 0 "[ . 1 . 2]" 1
301 1 37 LEU HG 1 53 ILE MG 3.800 . 4.600 3.008 1.967 3.758 . 0 0 "[ . 1 . 2]" 1
302 1 38 LYS H 1 39 ILE H 2.500 . 2.800 2.605 2.461 2.756 . 0 0 "[ . 1 . 2]" 1
303 1 38 LYS HA 1 39 ILE H 3.800 . 4.600 3.487 3.471 3.554 . 0 0 "[ . 1 . 2]" 1
304 1 38 LYS HA 1 53 ILE MG 3.800 . 4.600 3.182 2.409 3.608 . 0 0 "[ . 1 . 2]" 1
305 1 39 ILE H 1 39 ILE HA 3.000 . 3.600 2.843 2.786 2.862 . 0 0 "[ . 1 . 2]" 1
306 1 39 ILE H 1 39 ILE HB 3.000 . 3.600 2.662 2.588 3.612 0.012 17 0 "[ . 1 . 2]" 1
307 1 39 ILE H 1 39 ILE QG 3.000 . 3.600 1.996 1.956 2.062 . 0 0 "[ . 1 . 2]" 1
308 1 39 ILE H 1 40 MET H 2.500 . 2.800 2.653 2.472 2.781 . 0 0 "[ . 1 . 2]" 1
309 1 39 ILE H 1 42 GLN H 4.800 . 5.800 4.765 4.567 5.064 . 0 0 "[ . 1 . 2]" 1
310 1 39 ILE H 1 42 GLN QG 4.800 . 5.800 4.561 4.161 4.996 . 0 0 "[ . 1 . 2]" 1
311 1 39 ILE HA 1 39 ILE QG 3.000 . 3.600 2.152 2.087 2.184 . 0 0 "[ . 1 . 2]" 1
312 1 39 ILE HA 1 40 MET H 3.800 . 4.600 3.549 3.494 3.573 . 0 0 "[ . 1 . 2]" 1
313 1 39 ILE HA 1 40 MET QB 5.800 . 7.000 5.449 5.169 5.558 . 0 0 "[ . 1 . 2]" 1
314 1 39 ILE HA 1 41 LEU H 4.800 . 5.800 4.209 4.041 4.768 . 0 0 "[ . 1 . 2]" 1
315 1 39 ILE HA 1 42 GLN H 3.800 . 4.600 3.464 3.207 3.724 . 0 0 "[ . 1 . 2]" 1
316 1 39 ILE HA 1 42 GLN HA 4.800 . 5.800 5.389 4.970 5.789 . 0 0 "[ . 1 . 2]" 1
317 1 39 ILE HA 1 43 ALA H 4.800 . 5.800 5.038 4.294 5.540 . 0 0 "[ . 1 . 2]" 1
318 1 39 ILE HB 1 40 MET H 3.000 . 3.600 2.503 2.147 3.590 . 0 0 "[ . 1 . 2]" 1
319 1 40 MET H 1 40 MET HA 3.000 . 3.600 2.813 2.773 2.885 . 0 0 "[ . 1 . 2]" 1
320 1 40 MET H 1 41 LEU H 2.500 . 2.800 2.636 2.378 2.792 . 0 0 "[ . 1 . 2]" 1
321 1 40 MET HA 1 41 LEU H 3.800 . 4.600 3.494 3.474 3.567 . 0 0 "[ . 1 . 2]" 1
322 1 40 MET ME 1 41 LEU QB 4.800 . 5.800 3.768 2.977 4.175 . 0 0 "[ . 1 . 2]" 1
323 1 40 MET ME 1 41 LEU MD1 4.800 . 5.800 2.863 1.791 3.711 0.009 18 0 "[ . 1 . 2]" 1
324 1 40 MET ME 1 41 LEU HG 4.800 . 5.800 3.073 1.842 4.554 . 0 0 "[ . 1 . 2]" 1
325 1 40 MET ME 1 44 THR MG 4.800 . 5.800 3.580 3.088 3.979 . 0 0 "[ . 1 . 2]" 1
326 1 41 LEU H 1 41 LEU HA 3.000 . 3.600 2.852 2.818 2.867 . 0 0 "[ . 1 . 2]" 1
327 1 41 LEU H 1 41 LEU QB 3.000 . 3.600 2.182 2.070 2.450 . 0 0 "[ . 1 . 2]" 1
328 1 41 LEU H 1 42 GLN H 2.500 . 2.800 2.500 2.449 2.609 . 0 0 "[ . 1 . 2]" 1
329 1 41 LEU H 1 42 GLN HA 4.800 . 5.800 5.103 5.046 5.182 . 0 0 "[ . 1 . 2]" 1
330 1 41 LEU H 1 48 ILE HB 5.800 . 7.000 6.530 5.728 7.003 0.003 9 0 "[ . 1 . 2]" 1
331 1 41 LEU HA 1 44 THR H 3.000 . 3.600 3.459 3.182 3.600 0.000 4 0 "[ . 1 . 2]" 1
332 1 41 LEU QB 1 48 ILE MG 4.800 . 5.800 3.696 2.611 4.213 . 0 0 "[ . 1 . 2]" 1
333 1 42 GLN H 1 42 GLN HA 3.000 . 3.600 2.801 2.778 2.832 . 0 0 "[ . 1 . 2]" 1
334 1 42 GLN H 1 42 GLN QB 3.000 . 3.600 2.335 2.127 2.610 . 0 0 "[ . 1 . 2]" 1
335 1 42 GLN H 1 42 GLN QG 3.800 . 4.600 2.529 1.980 2.940 . 0 0 "[ . 1 . 2]" 1
336 1 42 GLN H 1 43 ALA H 2.500 . 2.800 2.661 2.565 2.724 . 0 0 "[ . 1 . 2]" 1
337 1 42 GLN H 1 43 ALA HA 4.800 . 5.800 5.245 5.164 5.316 . 0 0 "[ . 1 . 2]" 1
338 1 42 GLN H 1 44 THR H 4.000 . 5.200 4.318 4.079 4.508 . 0 0 "[ . 1 . 2]" 1
339 1 42 GLN HA 1 42 GLN QG 3.000 . 3.600 2.386 2.093 3.332 . 0 0 "[ . 1 . 2]" 1
340 1 42 GLN HA 1 43 ALA H 3.800 . 4.600 3.491 3.478 3.548 . 0 0 "[ . 1 . 2]" 1
341 1 42 GLN HA 1 43 ALA HA 4.800 . 5.800 4.816 4.753 4.851 . 0 0 "[ . 1 . 2]" 1
342 1 42 GLN HA 1 44 THR H 3.800 . 4.600 4.162 3.807 4.575 . 0 0 "[ . 1 . 2]" 1
343 1 42 GLN QB 1 43 ALA H 3.000 . 3.600 2.856 2.786 3.285 . 0 0 "[ . 1 . 2]" 1
344 1 42 GLN QB 1 44 THR H 4.800 . 5.800 4.773 4.603 4.981 . 0 0 "[ . 1 . 2]" 1
345 1 43 ALA H 1 43 ALA HA 3.000 . 3.600 2.809 2.789 2.852 . 0 0 "[ . 1 . 2]" 1
346 1 43 ALA H 1 43 ALA MB 3.000 . 3.600 2.153 2.079 2.249 . 0 0 "[ . 1 . 2]" 1
347 1 43 ALA H 1 44 THR H 2.500 . 2.800 2.668 2.524 2.759 . 0 0 "[ . 1 . 2]" 1
348 1 43 ALA HA 1 44 THR H 3.800 . 4.600 3.519 3.483 3.556 . 0 0 "[ . 1 . 2]" 1
349 1 43 ALA MB 1 44 THR HA 4.800 . 5.800 3.782 3.695 3.882 . 0 0 "[ . 1 . 2]" 1
350 1 44 THR H 1 44 THR HA 3.000 . 3.600 2.809 2.792 2.867 . 0 0 "[ . 1 . 2]" 1
351 1 44 THR H 1 44 THR HB 3.000 . 3.600 3.583 3.514 3.604 0.004 13 0 "[ . 1 . 2]" 1
352 1 44 THR H 1 44 THR MG 3.800 . 4.600 2.171 1.944 2.823 . 0 0 "[ . 1 . 2]" 1
353 1 44 THR H 1 45 GLY H 4.000 . 5.200 4.619 4.580 4.645 . 0 0 "[ . 1 . 2]" 1
354 1 44 THR H 1 45 GLY QA 4.800 . 6.800 5.249 5.090 5.330 . 0 0 "[ . 1 . 2]" 1
355 1 44 THR HA 1 44 THR HB 3.000 . 3.600 2.436 2.379 2.639 . 0 0 "[ . 1 . 2]" 1
356 1 44 THR HA 1 44 THR HG1 3.800 . 4.600 3.761 3.530 4.072 . 0 0 "[ . 1 . 2]" 1
357 1 44 THR HA 1 44 THR MG 3.000 . 3.600 2.427 2.291 2.538 . 0 0 "[ . 1 . 2]" 1
358 1 44 THR HA 1 45 GLY H 2.500 . 2.800 2.423 2.227 2.594 . 0 0 "[ . 1 . 2]" 1
359 1 44 THR HA 1 45 GLY QA 4.800 . 5.800 3.916 3.889 3.946 . 0 0 "[ . 1 . 2]" 1
360 1 44 THR HA 1 46 GLU H 3.800 . 4.600 4.325 4.002 4.599 . 0 0 "[ . 1 . 2]" 1
361 1 44 THR HB 1 45 GLY H 3.800 . 4.600 2.461 2.130 2.962 . 0 0 "[ . 1 . 2]" 1
362 1 44 THR HB 1 46 GLU H 3.800 . 4.600 2.949 2.495 3.331 . 0 0 "[ . 1 . 2]" 1
363 1 44 THR MG 1 45 GLY H 4.800 . 5.800 3.783 3.436 4.071 . 0 0 "[ . 1 . 2]" 1
364 1 44 THR MG 1 46 GLU H 4.800 . 5.800 4.415 4.125 4.789 . 0 0 "[ . 1 . 2]" 1
365 1 45 GLY H 1 46 GLU QG 3.800 . 4.600 3.710 3.439 4.081 . 0 0 "[ . 1 . 2]" 1
366 1 45 GLY QA 1 46 GLU H 3.000 . 3.600 2.770 2.625 2.838 . 0 0 "[ . 1 . 2]" 1
367 1 45 GLY QA 1 46 GLU HA 4.800 . 5.800 4.032 4.002 4.087 . 0 0 "[ . 1 . 2]" 1
368 1 46 GLU H 1 46 GLU HA 3.000 . 3.600 2.864 2.790 2.941 . 0 0 "[ . 1 . 2]" 1
369 1 46 GLU H 1 46 GLU QB 3.000 . 3.600 2.496 2.274 2.792 . 0 0 "[ . 1 . 2]" 1
370 1 46 GLU H 1 46 GLU QG 3.000 . 3.600 2.367 1.936 3.043 . 0 0 "[ . 1 . 2]" 1
371 1 46 GLU H 1 47 THR H 4.000 . 5.200 4.576 4.474 4.640 . 0 0 "[ . 1 . 2]" 1
372 1 46 GLU HA 1 46 GLU QG 3.000 . 3.600 2.689 2.184 3.332 . 0 0 "[ . 1 . 2]" 1
373 1 46 GLU HA 1 47 THR H 3.000 . 3.600 2.298 2.161 2.609 . 0 0 "[ . 1 . 2]" 1
374 1 46 GLU HA 1 47 THR MG 4.800 . 5.800 3.686 3.239 4.115 . 0 0 "[ . 1 . 2]" 1
375 1 46 GLU HA 1 48 ILE H 5.800 . 7.000 5.423 4.535 5.985 . 0 0 "[ . 1 . 2]" 1
376 1 46 GLU QB 1 47 THR H 3.000 . 3.600 2.702 2.032 3.109 . 0 0 "[ . 1 . 2]" 1
377 1 46 GLU QG 1 47 THR H 4.800 . 5.800 4.015 3.472 4.532 . 0 0 "[ . 1 . 2]" 1
378 1 47 THR H 1 47 THR HA 3.000 . 3.600 2.905 2.841 2.943 . 0 0 "[ . 1 . 2]" 1
379 1 47 THR H 1 47 THR MG 3.800 . 4.600 2.591 2.169 3.121 . 0 0 "[ . 1 . 2]" 1
380 1 47 THR H 1 48 ILE H 4.000 . 5.200 4.110 3.132 4.477 . 0 0 "[ . 1 . 2]" 1
381 1 47 THR HA 1 47 THR MG 3.000 . 3.600 2.366 2.216 2.543 . 0 0 "[ . 1 . 2]" 1
382 1 47 THR HA 1 48 ILE H 2.500 . 2.800 2.240 2.140 2.693 . 0 0 "[ . 1 . 2]" 1
383 1 47 THR HA 1 48 ILE HA 4.800 . 5.800 4.438 4.391 4.667 . 0 0 "[ . 1 . 2]" 1
384 1 47 THR HA 1 48 ILE HB 4.800 . 5.800 4.862 4.734 5.093 . 0 0 "[ . 1 . 2]" 1
385 1 48 ILE H 1 48 ILE HB 3.000 . 3.600 2.656 2.619 2.702 . 0 0 "[ . 1 . 2]" 1
386 1 48 ILE H 1 48 ILE QG 3.800 . 4.600 2.375 2.074 2.827 . 0 0 "[ . 1 . 2]" 1
387 1 48 ILE H 1 49 THR H 5.800 . 7.000 4.515 4.338 4.629 . 0 0 "[ . 1 . 2]" 1
388 1 48 ILE HA 1 49 THR HA 4.800 . 5.800 4.376 4.341 4.426 . 0 0 "[ . 1 . 2]" 1
389 1 48 ILE HB 1 49 THR H 3.800 . 4.600 3.877 3.614 4.211 . 0 0 "[ . 1 . 2]" 1
390 1 48 ILE HB 1 53 ILE H 4.800 . 5.800 5.663 5.313 5.803 0.003 7 0 "[ . 1 . 2]" 1
391 1 48 ILE MG 1 50 GLU HA 5.800 . 7.000 4.568 4.452 4.769 . 0 0 "[ . 1 . 2]" 1
392 1 48 ILE MG 1 52 ASP HA 5.800 . 7.000 4.293 4.007 4.953 . 0 0 "[ . 1 . 2]" 1
393 1 48 ILE MG 1 52 ASP QB 4.800 . 5.800 1.952 1.768 2.537 0.032 15 0 "[ . 1 . 2]" 1
394 1 49 THR H 1 49 THR HA 3.000 . 3.600 2.919 2.860 2.948 . 0 0 "[ . 1 . 2]" 1
395 1 49 THR H 1 49 THR MG 3.800 . 4.600 2.987 1.969 3.792 . 0 0 "[ . 1 . 2]" 1
396 1 49 THR H 1 50 GLU H 4.800 . 5.800 4.533 4.415 4.619 . 0 0 "[ . 1 . 2]" 1
397 1 49 THR H 1 51 ASP H 4.800 . 5.800 4.904 4.640 5.328 . 0 0 "[ . 1 . 2]" 1
398 1 49 THR H 1 52 ASP HA 5.800 . 7.000 5.255 4.778 6.092 . 0 0 "[ . 1 . 2]" 1
399 1 49 THR H 1 52 ASP QB 3.800 . 4.600 2.386 1.957 3.121 . 0 0 "[ . 1 . 2]" 1
400 1 49 THR H 1 53 ILE H 4.800 . 5.800 4.678 3.714 5.286 . 0 0 "[ . 1 . 2]" 1
401 1 49 THR HA 1 50 GLU H 2.500 . 2.800 2.458 2.304 2.665 . 0 0 "[ . 1 . 2]" 1
402 1 49 THR HA 1 50 GLU HA 4.800 . 5.800 4.302 4.294 4.325 . 0 0 "[ . 1 . 2]" 1
403 1 49 THR HA 1 50 GLU QB 4.800 . 5.800 4.449 4.160 4.766 . 0 0 "[ . 1 . 2]" 1
404 1 49 THR HA 1 52 ASP H 4.800 . 5.800 4.650 4.464 4.929 . 0 0 "[ . 1 . 2]" 1
405 1 49 THR HA 1 53 ILE H 4.800 . 5.800 5.512 5.071 5.694 . 0 0 "[ . 1 . 2]" 1
406 1 49 THR MG 1 50 GLU H 4.800 . 5.800 3.170 1.944 3.913 . 0 0 "[ . 1 . 2]" 1
407 1 50 GLU H 1 50 GLU HA 3.000 . 3.600 2.814 2.791 2.866 . 0 0 "[ . 1 . 2]" 1
408 1 50 GLU H 1 50 GLU QB 3.000 . 3.600 2.300 2.079 2.644 . 0 0 "[ . 1 . 2]" 1
409 1 50 GLU H 1 50 GLU QG 3.800 . 4.600 2.973 1.966 3.925 . 0 0 "[ . 1 . 2]" 1
410 1 50 GLU H 1 51 ASP H 2.500 . 2.800 2.628 2.453 2.712 . 0 0 "[ . 1 . 2]" 1
411 1 50 GLU H 1 52 ASP H 4.800 . 5.800 4.184 3.981 4.558 . 0 0 "[ . 1 . 2]" 1
412 1 50 GLU HA 1 51 ASP H 3.800 . 4.600 3.499 3.481 3.547 . 0 0 "[ . 1 . 2]" 1
413 1 50 GLU HA 1 51 ASP HA 4.800 . 5.800 4.771 4.707 4.852 . 0 0 "[ . 1 . 2]" 1
414 1 50 GLU HA 1 52 ASP H 4.800 . 5.800 4.248 4.031 4.549 . 0 0 "[ . 1 . 2]" 1
415 1 50 GLU HA 1 53 ILE H 3.800 . 4.600 3.460 3.147 3.702 . 0 0 "[ . 1 . 2]" 1
416 1 50 GLU HA 1 53 ILE HA 5.800 . 7.000 5.533 5.060 5.813 . 0 0 "[ . 1 . 2]" 1
417 1 50 GLU HA 1 53 ILE MG 4.800 . 5.800 4.402 4.022 4.766 . 0 0 "[ . 1 . 2]" 1
418 1 51 ASP H 1 51 ASP HA 3.000 . 3.600 2.834 2.786 2.876 . 0 0 "[ . 1 . 2]" 1
419 1 51 ASP H 1 52 ASP H 2.500 . 2.800 2.575 2.439 2.799 . 0 0 "[ . 1 . 2]" 1
420 1 51 ASP H 1 52 ASP HA 4.800 . 5.800 5.196 5.077 5.377 . 0 0 "[ . 1 . 2]" 1
421 1 51 ASP H 1 52 ASP QB 5.800 . 7.000 4.342 4.147 4.468 . 0 0 "[ . 1 . 2]" 1
422 1 51 ASP H 1 53 ILE H 4.000 . 5.200 4.086 3.936 4.252 . 0 0 "[ . 1 . 2]" 1
423 1 51 ASP H 1 53 ILE HB 4.800 . 5.800 5.480 5.287 5.641 . 0 0 "[ . 1 . 2]" 1
424 1 51 ASP H 1 54 GLU H 4.800 . 5.800 4.890 4.537 5.185 . 0 0 "[ . 1 . 2]" 1
425 1 51 ASP HA 1 52 ASP H 3.800 . 4.600 3.512 3.490 3.554 . 0 0 "[ . 1 . 2]" 1
426 1 51 ASP HA 1 53 ILE H 4.800 . 5.800 4.260 3.958 4.724 . 0 0 "[ . 1 . 2]" 1
427 1 51 ASP HA 1 54 GLU H 3.800 . 4.600 3.455 3.306 3.703 . 0 0 "[ . 1 . 2]" 1
428 1 51 ASP HA 1 55 GLU H 4.800 . 5.800 4.890 4.269 5.420 . 0 0 "[ . 1 . 2]" 1
429 1 51 ASP QB 1 52 ASP H 3.000 . 3.600 2.763 2.592 2.904 . 0 0 "[ . 1 . 2]" 1
430 1 51 ASP QB 1 52 ASP HA 4.800 . 5.800 3.855 3.741 3.981 . 0 0 "[ . 1 . 2]" 1
431 1 52 ASP H 1 52 ASP HA 3.000 . 3.600 2.834 2.806 2.867 . 0 0 "[ . 1 . 2]" 1
432 1 52 ASP H 1 52 ASP QB 3.000 . 3.600 2.142 2.046 2.268 . 0 0 "[ . 1 . 2]" 1
433 1 52 ASP H 1 53 ILE H 2.500 . 2.800 2.578 2.447 2.681 . 0 0 "[ . 1 . 2]" 1
434 1 52 ASP HA 1 53 ILE H 3.800 . 4.600 3.510 3.485 3.551 . 0 0 "[ . 1 . 2]" 1
435 1 52 ASP HA 1 53 ILE HA 4.800 . 5.800 4.760 4.716 4.803 . 0 0 "[ . 1 . 2]" 1
436 1 52 ASP HA 1 54 GLU H 4.800 . 5.800 4.140 3.976 4.249 . 0 0 "[ . 1 . 2]" 1
437 1 52 ASP HA 1 54 GLU HA 5.800 . 7.000 6.540 6.409 6.690 . 0 0 "[ . 1 . 2]" 1
438 1 52 ASP HA 1 55 GLU H 3.800 . 4.600 3.643 3.401 3.978 . 0 0 "[ . 1 . 2]" 1
439 1 52 ASP HA 1 55 GLU HA 5.800 . 7.000 5.814 5.374 6.471 . 0 0 "[ . 1 . 2]" 1
440 1 52 ASP QB 1 53 ILE H 3.000 . 3.600 2.797 2.626 2.924 . 0 0 "[ . 1 . 2]" 1
441 1 53 ILE H 1 53 ILE HA 3.000 . 3.600 2.842 2.808 2.869 . 0 0 "[ . 1 . 2]" 1
442 1 53 ILE H 1 53 ILE HB 3.000 . 3.600 2.626 2.606 2.646 . 0 0 "[ . 1 . 2]" 1
443 1 53 ILE H 1 54 GLU H 2.500 . 2.800 2.538 2.450 2.637 . 0 0 "[ . 1 . 2]" 1
444 1 53 ILE H 1 54 GLU HA 5.800 . 7.000 5.138 5.025 5.242 . 0 0 "[ . 1 . 2]" 1
445 1 53 ILE H 1 55 GLU H 4.800 . 5.800 4.216 4.006 4.518 . 0 0 "[ . 1 . 2]" 1
446 1 53 ILE HA 1 53 ILE QG 3.000 . 3.600 2.155 2.066 2.284 . 0 0 "[ . 1 . 2]" 1
447 1 53 ILE HA 1 54 GLU H 3.800 . 4.600 3.490 3.454 3.516 . 0 0 "[ . 1 . 2]" 1
448 1 53 ILE HA 1 54 GLU HA 4.800 . 5.800 4.809 4.737 4.881 . 0 0 "[ . 1 . 2]" 1
449 1 53 ILE HA 1 56 LEU H 3.800 . 4.600 3.387 3.109 3.626 . 0 0 "[ . 1 . 2]" 1
450 1 53 ILE HA 1 56 LEU MD1 3.800 . 4.600 2.623 1.932 3.419 . 0 0 "[ . 1 . 2]" 1
451 1 53 ILE HA 1 57 MET H 4.800 . 5.800 4.836 4.384 5.161 . 0 0 "[ . 1 . 2]" 1
452 1 53 ILE HB 1 54 GLU H 3.000 . 3.600 2.871 2.738 3.049 . 0 0 "[ . 1 . 2]" 1
453 1 53 ILE MG 1 54 GLU H 4.800 . 5.800 3.793 3.741 3.919 . 0 0 "[ . 1 . 2]" 1
454 1 53 ILE MG 1 54 GLU HA 4.800 . 5.800 3.826 3.697 4.046 . 0 0 "[ . 1 . 2]" 1
455 1 54 GLU H 1 54 GLU HA 3.000 . 3.600 2.814 2.771 2.858 . 0 0 "[ . 1 . 2]" 1
456 1 54 GLU H 1 55 GLU H 2.500 . 2.800 2.645 2.481 2.807 0.007 16 0 "[ . 1 . 2]" 1
457 1 54 GLU HA 1 57 MET H 3.800 . 4.600 3.542 3.220 3.878 . 0 0 "[ . 1 . 2]" 1
458 1 54 GLU QB 1 55 GLU H 3.000 . 3.600 2.769 2.470 2.952 . 0 0 "[ . 1 . 2]" 1
459 1 55 GLU H 1 55 GLU HA 3.000 . 3.600 2.827 2.786 2.888 . 0 0 "[ . 1 . 2]" 1
460 1 55 GLU H 1 55 GLU QG 3.000 . 3.600 2.587 1.992 3.148 . 0 0 "[ . 1 . 2]" 1
461 1 55 GLU H 1 56 LEU H 2.500 . 2.800 2.599 2.360 2.803 0.003 5 0 "[ . 1 . 2]" 1
462 1 55 GLU H 1 57 MET H 4.000 . 5.200 4.197 3.993 4.499 . 0 0 "[ . 1 . 2]" 1
463 1 55 GLU HA 1 56 LEU H 3.800 . 4.600 3.509 3.478 3.554 . 0 0 "[ . 1 . 2]" 1
464 1 55 GLU QB 1 56 LEU H 3.800 . 4.600 2.855 2.555 3.557 . 0 0 "[ . 1 . 2]" 1
465 1 56 LEU H 1 56 LEU HA 3.000 . 3.600 2.810 2.785 2.836 . 0 0 "[ . 1 . 2]" 1
466 1 56 LEU H 1 56 LEU QB 3.000 . 3.600 2.109 2.028 2.259 . 0 0 "[ . 1 . 2]" 1
467 1 56 LEU H 1 56 LEU QD 4.800 . 5.800 2.999 1.979 3.690 . 0 0 "[ . 1 . 2]" 1
468 1 56 LEU H 1 57 MET H 2.500 . 2.800 2.662 2.561 2.778 . 0 0 "[ . 1 . 2]" 1
469 1 56 LEU H 1 59 ASP H 4.800 . 5.800 5.240 4.969 5.709 . 0 0 "[ . 1 . 2]" 1
470 1 56 LEU HA 1 57 MET H 3.800 . 4.600 3.518 3.475 3.561 . 0 0 "[ . 1 . 2]" 1
471 1 56 LEU QB 1 57 MET H 3.000 . 3.600 2.742 2.535 2.914 . 0 0 "[ . 1 . 2]" 1
472 1 57 MET H 1 57 MET HA 3.000 . 3.600 2.882 2.831 2.906 . 0 0 "[ . 1 . 2]" 1
473 1 57 MET H 1 57 MET QB 3.000 . 3.600 2.371 2.119 2.599 . 0 0 "[ . 1 . 2]" 1
474 1 57 MET H 1 58 LYS H 2.500 . 2.800 2.381 2.284 2.567 . 0 0 "[ . 1 . 2]" 1
475 1 57 MET H 1 58 LYS QB 4.800 . 5.800 4.108 3.942 4.502 . 0 0 "[ . 1 . 2]" 1
476 1 57 MET H 1 59 ASP H 4.800 . 5.800 4.477 4.116 4.878 . 0 0 "[ . 1 . 2]" 1
477 1 57 MET H 1 60 GLY H 4.800 . 5.800 4.590 4.427 5.008 . 0 0 "[ . 1 . 2]" 1
478 1 57 MET HA 1 57 MET ME 3.800 . 4.600 3.110 2.410 3.753 . 0 0 "[ . 1 . 2]" 1
479 1 57 MET HA 1 57 MET QG 3.000 . 3.600 2.488 2.069 3.123 . 0 0 "[ . 1 . 2]" 1
480 1 57 MET HA 1 58 LYS H 3.800 . 4.600 3.479 3.420 3.502 . 0 0 "[ . 1 . 2]" 1
481 1 57 MET HA 1 60 GLY H 3.800 . 4.600 3.232 3.037 3.534 . 0 0 "[ . 1 . 2]" 1
482 1 57 MET HA 1 60 GLY QA 4.800 . 5.800 3.191 3.026 3.634 . 0 0 "[ . 1 . 2]" 1
483 1 57 MET HA 1 61 ASP H 3.800 . 4.600 3.733 3.404 4.087 . 0 0 "[ . 1 . 2]" 1
484 1 57 MET HA 1 68 ILE HB 4.800 . 5.800 5.752 5.636 5.810 0.010 16 0 "[ . 1 . 2]" 1
485 1 57 MET HA 1 68 ILE MD 3.800 . 4.600 2.246 2.046 2.575 . 0 0 "[ . 1 . 2]" 1
486 1 57 MET HA 1 76 PHE QE 5.800 . 7.000 6.161 5.587 6.402 . 0 0 "[ . 1 . 2]" 1
487 1 57 MET QB 1 58 LYS H 3.000 . 3.600 2.859 2.724 3.067 . 0 0 "[ . 1 . 2]" 1
488 1 57 MET ME 1 67 ARG HA 3.000 . 3.600 2.631 2.293 2.903 . 0 0 "[ . 1 . 2]" 1
489 1 57 MET ME 1 68 ILE QG 3.000 . 3.600 1.973 1.861 2.087 . 0 0 "[ . 1 . 2]" 1
490 1 58 LYS H 1 58 LYS HA 3.000 . 3.600 2.792 2.772 2.832 . 0 0 "[ . 1 . 2]" 1
491 1 58 LYS H 1 58 LYS QB 3.000 . 3.600 2.148 2.041 2.450 . 0 0 "[ . 1 . 2]" 1
492 1 58 LYS H 1 59 ASP H 3.200 . 3.700 2.848 2.728 2.990 . 0 0 "[ . 1 . 2]" 1
493 1 58 LYS H 1 59 ASP HA 5.800 . 7.000 5.395 5.329 5.474 . 0 0 "[ . 1 . 2]" 1
494 1 58 LYS HA 1 59 ASP H 3.800 . 4.600 3.563 3.543 3.572 . 0 0 "[ . 1 . 2]" 1
495 1 58 LYS HA 1 61 ASP H 3.800 . 4.600 3.922 3.342 4.233 . 0 0 "[ . 1 . 2]" 1
496 1 58 LYS QB 1 59 ASP H 3.000 . 3.600 2.347 2.101 2.533 . 0 0 "[ . 1 . 2]" 1
497 1 58 LYS QB 1 59 ASP HA 4.800 . 5.800 3.922 3.755 4.185 . 0 0 "[ . 1 . 2]" 1
498 1 58 LYS QG 1 59 ASP H 4.800 . 5.800 4.008 3.191 4.308 . 0 0 "[ . 1 . 2]" 1
499 1 59 ASP H 1 59 ASP HA 3.000 . 3.600 2.879 2.837 2.894 . 0 0 "[ . 1 . 2]" 1
500 1 59 ASP H 1 59 ASP QB 3.000 . 3.600 2.493 2.409 2.527 . 0 0 "[ . 1 . 2]" 1
501 1 59 ASP H 1 60 GLY H 2.500 . 2.800 2.414 2.341 2.581 . 0 0 "[ . 1 . 2]" 1
502 1 59 ASP H 1 60 GLY QA 4.800 . 5.800 4.311 4.249 4.455 . 0 0 "[ . 1 . 2]" 1
503 1 59 ASP H 1 61 ASP H 4.000 . 5.200 4.128 4.016 4.266 . 0 0 "[ . 1 . 2]" 1
504 1 59 ASP H 1 76 PHE QD 5.800 . 7.000 6.277 6.104 6.526 . 0 0 "[ . 1 . 2]" 1
505 1 59 ASP H 1 76 PHE QE 5.800 . 7.000 4.934 4.667 5.396 . 0 0 "[ . 1 . 2]" 1
506 1 59 ASP H 1 76 PHE HZ 4.800 . 5.800 5.230 4.949 5.562 . 0 0 "[ . 1 . 2]" 1
507 1 59 ASP HA 1 60 GLY H 3.800 . 4.600 3.433 3.415 3.460 . 0 0 "[ . 1 . 2]" 1
508 1 59 ASP HA 1 60 GLY QA 4.800 . 5.800 4.402 4.329 4.454 . 0 0 "[ . 1 . 2]" 1
509 1 59 ASP HA 1 61 ASP H 3.800 . 4.600 4.109 3.896 4.389 . 0 0 "[ . 1 . 2]" 1
510 1 59 ASP HA 1 62 LYS QD 4.800 . 5.800 4.704 3.914 5.227 . 0 0 "[ . 1 . 2]" 1
511 1 59 ASP HA 1 76 PHE QE 4.800 . 5.800 4.064 3.783 4.349 . 0 0 "[ . 1 . 2]" 1
512 1 59 ASP QB 1 60 GLY H 3.800 . 4.600 3.685 3.624 3.717 . 0 0 "[ . 1 . 2]" 1
513 1 59 ASP QB 1 61 ASP H 5.800 . 7.000 5.137 4.993 5.354 . 0 0 "[ . 1 . 2]" 1
514 1 59 ASP QB 1 76 PHE QE 3.800 . 4.600 2.416 2.250 2.809 . 0 0 "[ . 1 . 2]" 1
515 1 59 ASP QB 1 76 PHE HZ 4.800 . 5.800 3.682 2.979 3.876 . 0 0 "[ . 1 . 2]" 1
516 1 60 GLY H 1 60 GLY QA 2.500 . 2.800 2.227 2.203 2.279 . 0 0 "[ . 1 . 2]" 1
517 1 60 GLY H 1 61 ASP H 2.500 . 2.800 2.442 2.188 2.614 . 0 0 "[ . 1 . 2]" 1
518 1 60 GLY H 1 76 PHE QB 5.800 . 7.000 5.599 5.381 5.788 . 0 0 "[ . 1 . 2]" 1
519 1 60 GLY H 1 76 PHE QD 4.800 . 5.800 4.956 4.784 5.116 . 0 0 "[ . 1 . 2]" 1
520 1 60 GLY H 1 76 PHE QE 3.800 . 4.600 4.253 3.918 4.518 . 0 0 "[ . 1 . 2]" 1
521 1 60 GLY H 1 76 PHE HZ 5.800 . 7.000 4.576 4.059 4.791 . 0 0 "[ . 1 . 2]" 1
522 1 60 GLY QA 1 61 ASP H 3.000 . 3.600 2.816 2.722 2.837 . 0 0 "[ . 1 . 2]" 1
523 1 60 GLY QA 1 61 ASP HA 4.800 . 5.800 4.007 4.000 4.032 . 0 0 "[ . 1 . 2]" 1
524 1 60 GLY QA 1 68 ILE MD 3.800 . 4.600 2.187 1.822 2.665 . 0 0 "[ . 1 . 2]" 1
525 1 60 GLY QA 1 68 ILE QG 3.800 . 4.600 3.268 3.051 3.402 . 0 0 "[ . 1 . 2]" 1
526 1 60 GLY QA 1 76 PHE HA 4.800 . 5.800 4.628 4.412 4.820 . 0 0 "[ . 1 . 2]" 1
527 1 60 GLY QA 1 76 PHE QD 3.000 . 3.600 2.905 2.629 3.049 . 0 0 "[ . 1 . 2]" 1
528 1 60 GLY QA 1 76 PHE QE 4.800 . 5.800 3.199 2.955 3.375 . 0 0 "[ . 1 . 2]" 1
529 1 61 ASP H 1 61 ASP HA 3.000 . 3.600 2.907 2.854 2.927 . 0 0 "[ . 1 . 2]" 1
530 1 61 ASP H 1 61 ASP QB 3.000 . 3.600 2.318 2.224 2.368 . 0 0 "[ . 1 . 2]" 1
531 1 61 ASP H 1 62 LYS H 4.800 . 5.800 4.487 4.343 4.598 . 0 0 "[ . 1 . 2]" 1
532 1 61 ASP H 1 63 ASN H 5.800 . 7.000 6.076 5.403 6.404 . 0 0 "[ . 1 . 2]" 1
533 1 61 ASP HA 1 62 LYS H 2.500 . 2.800 2.175 2.135 2.299 . 0 0 "[ . 1 . 2]" 1
534 1 61 ASP HA 1 62 LYS QB 4.800 . 5.800 4.403 4.133 4.493 . 0 0 "[ . 1 . 2]" 1
535 1 61 ASP HA 1 62 LYS QG 4.800 . 5.800 3.743 3.413 5.226 . 0 0 "[ . 1 . 2]" 1
536 1 61 ASP QB 1 66 GLY H 4.800 . 5.800 3.919 3.672 4.143 . 0 0 "[ . 1 . 2]" 1
537 1 61 ASP OD1 1 66 GLY H 2.850 2.450 3.150 2.058 1.691 2.437 0.759 1 5 "[+ * * - . *]" 1
538 1 62 LYS H 1 62 LYS HA 3.000 . 3.600 2.944 2.930 2.949 . 0 0 "[ . 1 . 2]" 1
539 1 62 LYS H 1 62 LYS QB 3.000 . 3.600 2.544 2.342 2.670 . 0 0 "[ . 1 . 2]" 1
540 1 62 LYS H 1 63 ASN H 2.500 . 2.800 2.049 1.933 2.450 . 0 0 "[ . 1 . 2]" 1
541 1 62 LYS H 1 63 ASN HA 4.800 . 5.800 4.720 4.550 4.834 . 0 0 "[ . 1 . 2]" 1
542 1 62 LYS H 1 72 GLU HB2 4.800 . 5.800 4.541 2.644 5.615 . 0 0 "[ . 1 . 2]" 1
543 1 62 LYS HA 1 62 LYS QD 3.000 . 3.600 2.243 1.967 2.756 . 0 0 "[ . 1 . 2]" 1
544 1 62 LYS HA 1 62 LYS QG 3.000 . 3.600 2.844 2.279 3.035 . 0 0 "[ . 1 . 2]" 1
545 1 62 LYS HA 1 63 ASN H 3.800 . 4.600 3.437 2.990 3.537 . 0 0 "[ . 1 . 2]" 1
546 1 62 LYS HA 1 63 ASN HA 4.800 . 5.800 4.624 4.467 4.687 . 0 0 "[ . 1 . 2]" 1
547 1 62 LYS HA 1 64 ASN H 3.800 . 4.600 3.943 3.573 4.144 . 0 0 "[ . 1 . 2]" 1
548 1 62 LYS QB 1 63 ASN H 3.800 . 4.600 2.891 2.543 3.739 . 0 0 "[ . 1 . 2]" 1
549 1 62 LYS QB 1 64 ASN H 4.800 . 5.800 4.587 4.351 5.061 . 0 0 "[ . 1 . 2]" 1
550 1 63 ASN H 1 63 ASN HA 3.000 . 3.600 2.912 2.891 2.949 . 0 0 "[ . 1 . 2]" 1
551 1 63 ASN H 1 63 ASN QB 3.000 . 3.600 2.563 2.302 3.038 . 0 0 "[ . 1 . 2]" 1
552 1 63 ASN H 1 64 ASN H 2.500 . 2.800 2.328 1.935 2.607 . 0 0 "[ . 1 . 2]" 1
553 1 63 ASN H 1 64 ASN HA 3.800 . 4.600 4.532 4.161 4.618 0.018 2 0 "[ . 1 . 2]" 1
554 1 63 ASN H 1 65 ASP H 4.000 . 5.200 3.975 3.460 4.615 . 0 0 "[ . 1 . 2]" 1
555 1 63 ASN HA 1 64 ASN H 3.000 . 3.600 3.338 2.987 3.439 . 0 0 "[ . 1 . 2]" 1
556 1 63 ASN HA 1 64 ASN HA 4.800 . 5.800 5.179 4.978 5.242 . 0 0 "[ . 1 . 2]" 1
557 1 63 ASN HA 1 64 ASN QB 4.800 . 5.800 4.010 3.836 4.559 . 0 0 "[ . 1 . 2]" 1
558 1 63 ASN HA 1 65 ASP H 4.800 . 5.800 4.987 4.422 5.763 . 0 0 "[ . 1 . 2]" 1
559 1 63 ASN QB 1 64 ASN H 3.800 . 4.600 3.448 3.004 4.001 . 0 0 "[ . 1 . 2]" 1
560 1 64 ASN H 1 64 ASN HA 2.500 . 2.800 2.274 2.269 2.287 . 0 0 "[ . 1 . 2]" 1
561 1 64 ASN H 1 65 ASP H 3.200 . 3.700 2.749 2.573 3.068 . 0 0 "[ . 1 . 2]" 1
562 1 64 ASN H 1 66 GLY H 4.800 . 5.800 4.365 3.967 4.845 . 0 0 "[ . 1 . 2]" 1
563 1 64 ASN HA 1 65 ASP H 3.000 . 3.600 2.735 2.412 2.929 . 0 0 "[ . 1 . 2]" 1
564 1 64 ASN HA 1 65 ASP HA 4.800 . 5.800 4.548 4.441 4.670 . 0 0 "[ . 1 . 2]" 1
565 1 64 ASN HA 1 66 GLY H 3.000 . 3.600 3.521 3.349 3.616 0.016 9 0 "[ . 1 . 2]" 1
566 1 64 ASN HA 1 67 ARG H 5.800 . 7.000 5.799 5.283 6.016 . 0 0 "[ . 1 . 2]" 1
567 1 64 ASN QB 1 65 ASP H 4.800 . 5.800 3.912 3.773 4.046 . 0 0 "[ . 1 . 2]" 1
568 1 64 ASN QB 1 66 GLY H 5.800 . 7.000 5.032 4.758 5.301 . 0 0 "[ . 1 . 2]" 1
569 1 65 ASP H 1 65 ASP HA 3.000 . 3.600 2.919 2.865 2.945 . 0 0 "[ . 1 . 2]" 1
570 1 65 ASP H 1 65 ASP QB 3.000 . 3.600 2.744 2.582 2.871 . 0 0 "[ . 1 . 2]" 1
571 1 65 ASP H 1 66 GLY H 2.500 . 2.800 2.174 1.979 2.449 . 0 0 "[ . 1 . 2]" 1
572 1 65 ASP H 1 67 ARG H 4.000 . 5.200 3.821 3.479 4.155 . 0 0 "[ . 1 . 2]" 1
573 1 65 ASP HA 1 66 GLY H 3.800 . 4.600 3.467 3.424 3.490 . 0 0 "[ . 1 . 2]" 1
574 1 65 ASP HA 1 66 GLY QA 4.800 . 5.800 4.207 4.193 4.224 . 0 0 "[ . 1 . 2]" 1
575 1 65 ASP HA 1 67 ARG H 4.800 . 5.800 4.695 4.564 4.916 . 0 0 "[ . 1 . 2]" 1
576 1 66 GLY H 1 66 GLY QA 2.500 . 2.800 2.349 2.260 2.365 . 0 0 "[ . 1 . 2]" 1
577 1 66 GLY H 1 67 ARG H 2.500 . 2.800 2.422 2.082 2.538 . 0 0 "[ . 1 . 2]" 1
578 1 66 GLY QA 1 67 ARG H 3.800 . 4.600 2.847 2.820 2.912 . 0 0 "[ . 1 . 2]" 1
579 1 67 ARG H 1 67 ARG QB 3.000 . 3.600 2.730 2.569 3.144 . 0 0 "[ . 1 . 2]" 1
580 1 67 ARG H 1 67 ARG QG 3.000 . 3.600 2.922 2.128 3.224 . 0 0 "[ . 1 . 2]" 1
581 1 67 ARG HA 1 67 ARG QD 4.800 . 5.800 3.943 3.560 4.553 . 0 0 "[ . 1 . 2]" 1
582 1 67 ARG HA 1 67 ARG QG 3.000 . 3.600 2.493 2.269 3.304 . 0 0 "[ . 1 . 2]" 1
583 1 67 ARG HA 1 68 ILE H 2.500 . 2.800 2.520 2.417 2.612 . 0 0 "[ . 1 . 2]" 1
584 1 67 ARG QG 1 68 ILE H 4.800 . 5.800 3.899 3.690 4.070 . 0 0 "[ . 1 . 2]" 1
585 1 68 ILE H 1 68 ILE HA 3.000 . 3.600 2.949 2.946 2.951 . 0 0 "[ . 1 . 2]" 1
586 1 68 ILE H 1 68 ILE HB 3.000 . 3.600 2.726 2.697 2.783 . 0 0 "[ . 1 . 2]" 1
587 1 68 ILE H 1 68 ILE QG 3.800 . 4.600 2.562 2.503 2.647 . 0 0 "[ . 1 . 2]" 1
588 1 68 ILE HA 1 68 ILE QG 3.000 . 3.600 2.135 2.073 2.179 . 0 0 "[ . 1 . 2]" 1
589 1 68 ILE HA 1 69 ASP H 2.500 . 2.800 2.228 2.170 2.305 . 0 0 "[ . 1 . 2]" 1
590 1 68 ILE HA 1 72 GLU H 4.800 . 5.800 5.074 4.627 5.545 . 0 0 "[ . 1 . 2]" 1
591 1 68 ILE HB 1 69 ASP H 3.800 . 4.600 3.858 3.678 4.014 . 0 0 "[ . 1 . 2]" 1
592 1 68 ILE QG 1 69 ASP H 3.800 . 4.600 2.195 1.964 2.388 . 0 0 "[ . 1 . 2]" 1
593 1 68 ILE MG 1 69 ASP HA 4.800 . 5.800 3.569 3.488 3.682 . 0 0 "[ . 1 . 2]" 1
594 1 68 ILE MG 1 72 GLU H 4.800 . 5.800 4.063 3.872 4.467 . 0 0 "[ . 1 . 2]" 1
595 1 68 ILE MG 1 73 PHE H 3.800 . 4.600 2.981 2.786 3.457 . 0 0 "[ . 1 . 2]" 1
596 1 68 ILE MG 1 73 PHE HA 3.000 . 3.600 3.080 2.952 3.115 . 0 0 "[ . 1 . 2]" 1
597 1 69 ASP H 1 69 ASP HA 3.000 . 3.600 2.936 2.934 2.938 . 0 0 "[ . 1 . 2]" 1
598 1 69 ASP H 1 69 ASP QB 3.000 . 3.600 3.071 3.048 3.105 . 0 0 "[ . 1 . 2]" 1
599 1 69 ASP H 1 70 TYR H 4.800 . 5.800 4.380 4.319 4.442 . 0 0 "[ . 1 . 2]" 1
600 1 69 ASP H 1 72 GLU H 3.200 . 3.700 3.201 2.913 3.484 . 0 0 "[ . 1 . 2]" 1
601 1 69 ASP H 1 72 GLU HA 4.800 . 5.800 4.897 4.616 5.557 . 0 0 "[ . 1 . 2]" 1
602 1 69 ASP H 1 72 GLU QG 3.000 . 3.600 2.660 1.909 3.209 . 0 0 "[ . 1 . 2]" 1
603 1 69 ASP HA 1 70 TYR H 2.500 . 2.800 2.633 2.380 2.763 . 0 0 "[ . 1 . 2]" 1
604 1 69 ASP HA 1 70 TYR HA 4.800 . 5.800 4.311 4.289 4.333 . 0 0 "[ . 1 . 2]" 1
605 1 69 ASP HA 1 70 TYR QB 4.800 . 5.800 4.419 4.263 4.539 . 0 0 "[ . 1 . 2]" 1
606 1 69 ASP HA 1 71 ASP H 4.800 . 5.800 4.666 4.128 5.019 . 0 0 "[ . 1 . 2]" 1
607 1 69 ASP QB 1 70 TYR H 3.000 . 3.600 2.028 1.899 2.449 . 0 0 "[ . 1 . 2]" 1
608 1 70 TYR H 1 70 TYR HA 3.000 . 3.600 2.786 2.759 2.820 . 0 0 "[ . 1 . 2]" 1
609 1 70 TYR H 1 70 TYR QB 3.000 . 3.600 2.232 2.154 2.251 . 0 0 "[ . 1 . 2]" 1
610 1 70 TYR H 1 70 TYR QD 4.800 . 5.800 4.142 3.951 4.197 . 0 0 "[ . 1 . 2]" 1
611 1 70 TYR H 1 71 ASP H 3.200 . 3.700 2.786 2.658 2.896 . 0 0 "[ . 1 . 2]" 1
612 1 70 TYR HA 1 70 TYR QD 3.000 . 3.600 2.386 1.997 3.118 . 0 0 "[ . 1 . 2]" 1
613 1 70 TYR HA 1 70 TYR QE 4.800 . 5.800 4.432 4.211 4.694 . 0 0 "[ . 1 . 2]" 1
614 1 70 TYR HA 1 71 ASP H 3.800 . 4.600 3.540 3.464 3.571 . 0 0 "[ . 1 . 2]" 1
615 1 70 TYR HA 1 71 ASP HA 4.800 . 5.800 4.805 4.786 4.833 . 0 0 "[ . 1 . 2]" 1
616 1 70 TYR HA 1 72 GLU H 4.800 . 5.800 4.579 4.112 4.857 . 0 0 "[ . 1 . 2]" 1
617 1 70 TYR HA 1 73 PHE H 3.000 . 3.600 3.528 3.269 3.608 0.008 2 0 "[ . 1 . 2]" 1
618 1 70 TYR HA 1 74 LEU H 4.800 . 5.800 3.925 3.686 4.296 . 0 0 "[ . 1 . 2]" 1
619 1 70 TYR HA 1 74 LEU QD 5.800 . 7.000 3.471 2.901 4.171 . 0 0 "[ . 1 . 2]" 1
620 1 70 TYR QB 1 71 ASP H 3.000 . 3.600 2.510 2.214 2.937 . 0 0 "[ . 1 . 2]" 1
621 1 70 TYR QD 1 71 ASP H 4.800 . 5.800 3.890 3.222 4.506 . 0 0 "[ . 1 . 2]" 1
622 1 70 TYR QD 1 71 ASP HA 4.800 . 5.800 3.986 2.930 4.540 . 0 0 "[ . 1 . 2]" 1
623 1 70 TYR QD 1 73 PHE H 5.800 . 7.000 5.300 4.962 5.661 . 0 0 "[ . 1 . 2]" 1
624 1 70 TYR QD 1 74 LEU MD2 3.800 . 4.600 3.112 2.530 3.548 . 0 0 "[ . 1 . 2]" 1
625 1 70 TYR QE 1 71 ASP H 5.800 . 7.000 5.868 5.416 6.413 . 0 0 "[ . 1 . 2]" 1
626 1 70 TYR QE 1 71 ASP HA 5.800 . 7.000 5.286 4.444 5.974 . 0 0 "[ . 1 . 2]" 1
627 1 70 TYR QE 1 74 LEU MD2 3.800 . 4.600 2.544 2.153 2.885 . 0 0 "[ . 1 . 2]" 1
628 1 70 TYR QE 1 74 LEU HG 4.800 . 5.600 3.929 2.233 4.594 . 0 0 "[ . 1 . 2]" 1
629 1 71 ASP H 1 71 ASP HA 3.000 . 3.600 2.797 2.765 2.828 . 0 0 "[ . 1 . 2]" 1
630 1 71 ASP H 1 71 ASP QB 3.000 . 3.600 2.296 2.076 2.596 . 0 0 "[ . 1 . 2]" 1
631 1 71 ASP H 1 72 GLU H 2.500 . 2.800 2.777 2.687 2.811 0.011 2 0 "[ . 1 . 2]" 1
632 1 71 ASP H 1 73 PHE H 4.000 . 5.200 4.078 3.668 4.480 . 0 0 "[ . 1 . 2]" 1
633 1 71 ASP HA 1 72 GLU H 3.800 . 4.600 3.551 3.491 3.573 . 0 0 "[ . 1 . 2]" 1
634 1 71 ASP HA 1 73 PHE H 4.800 . 5.800 4.619 4.396 4.896 . 0 0 "[ . 1 . 2]" 1
635 1 71 ASP HA 1 74 LEU H 3.800 . 4.600 3.813 3.688 4.264 . 0 0 "[ . 1 . 2]" 1
636 1 71 ASP HA 1 74 LEU QB 3.800 . 4.600 3.007 2.712 3.889 . 0 0 "[ . 1 . 2]" 1
637 1 71 ASP HA 1 74 LEU HG 4.800 . 5.800 4.743 3.257 5.815 0.015 2 0 "[ . 1 . 2]" 1
638 1 71 ASP HA 1 75 GLU H 4.800 . 5.800 4.743 4.241 5.633 . 0 0 "[ . 1 . 2]" 1
639 1 71 ASP QB 1 72 GLU H 3.000 . 3.600 2.513 2.216 2.870 . 0 0 "[ . 1 . 2]" 1
640 1 72 GLU H 1 72 GLU HA 3.000 . 3.600 2.852 2.823 2.881 . 0 0 "[ . 1 . 2]" 1
641 1 72 GLU H 1 72 GLU QB 3.000 . 3.600 2.520 2.162 2.788 . 0 0 "[ . 1 . 2]" 1
642 1 72 GLU H 1 72 GLU QG 3.000 . 3.600 2.194 1.977 3.015 . 0 0 "[ . 1 . 2]" 1
643 1 72 GLU H 1 73 PHE H 3.200 . 3.700 2.551 2.399 2.645 . 0 0 "[ . 1 . 2]" 1
644 1 72 GLU H 1 74 LEU H 4.000 . 5.200 4.049 3.761 4.415 . 0 0 "[ . 1 . 2]" 1
645 1 72 GLU H 1 75 GLU H 5.800 . 7.000 4.986 4.784 5.234 . 0 0 "[ . 1 . 2]" 1
646 1 72 GLU HA 1 72 GLU QG 3.000 . 3.600 2.628 2.366 3.328 . 0 0 "[ . 1 . 2]" 1
647 1 72 GLU HA 1 73 PHE H 3.800 . 4.600 3.529 3.459 3.561 . 0 0 "[ . 1 . 2]" 1
648 1 72 GLU HA 1 74 LEU H 3.800 . 4.600 4.187 3.852 4.597 . 0 0 "[ . 1 . 2]" 1
649 1 72 GLU HA 1 75 GLU QB 3.800 . 4.600 2.967 2.659 3.501 . 0 0 "[ . 1 . 2]" 1
650 1 72 GLU QB 1 73 PHE H 3.800 . 4.600 2.699 2.455 3.569 . 0 0 "[ . 1 . 2]" 1
651 1 73 PHE H 1 73 PHE HA 3.000 . 3.600 2.802 2.783 2.850 . 0 0 "[ . 1 . 2]" 1
652 1 73 PHE H 1 74 LEU H 2.500 . 2.800 2.675 2.510 2.778 . 0 0 "[ . 1 . 2]" 1
653 1 73 PHE H 1 74 LEU QB 4.800 . 5.800 4.386 4.310 4.534 . 0 0 "[ . 1 . 2]" 1
654 1 73 PHE H 1 75 GLU H 4.800 . 5.800 4.282 3.997 4.518 . 0 0 "[ . 1 . 2]" 1
655 1 73 PHE H 1 76 PHE H 4.800 . 5.800 4.719 4.539 4.920 . 0 0 "[ . 1 . 2]" 1
656 1 73 PHE QB 1 74 LEU H 3.000 . 3.600 2.704 2.502 2.848 . 0 0 "[ . 1 . 2]" 1
657 1 73 PHE QD 1 77 MET ME 5.800 . 7.000 4.358 2.533 5.171 . 0 0 "[ . 1 . 2]" 1
658 1 73 PHE QE 1 77 MET ME 4.800 . 5.800 3.223 2.344 4.410 . 0 0 "[ . 1 . 2]" 1
659 1 74 LEU H 1 74 LEU HA 3.000 . 3.600 2.821 2.788 2.863 . 0 0 "[ . 1 . 2]" 1
660 1 74 LEU H 1 74 LEU QB 3.000 . 3.600 2.091 2.027 2.397 . 0 0 "[ . 1 . 2]" 1
661 1 74 LEU H 1 74 LEU QD 3.800 . 4.600 2.711 2.197 3.166 . 0 0 "[ . 1 . 2]" 1
662 1 74 LEU H 1 74 LEU HG 3.800 . 4.600 4.070 2.394 4.365 . 0 0 "[ . 1 . 2]" 1
663 1 74 LEU H 1 75 GLU H 2.500 . 2.800 2.656 2.582 2.801 0.001 9 0 "[ . 1 . 2]" 1
664 1 74 LEU H 1 75 GLU HA 4.800 . 5.800 5.273 5.210 5.369 . 0 0 "[ . 1 . 2]" 1
665 1 74 LEU H 1 76 PHE H 4.000 . 5.200 4.061 3.917 4.310 . 0 0 "[ . 1 . 2]" 1
666 1 74 LEU HA 1 75 GLU H 3.800 . 4.600 3.530 3.483 3.566 . 0 0 "[ . 1 . 2]" 1
667 1 74 LEU HA 1 76 PHE H 4.800 . 5.800 4.585 4.195 4.814 . 0 0 "[ . 1 . 2]" 1
668 1 74 LEU HA 1 77 MET H 3.800 . 4.600 3.784 3.556 4.112 . 0 0 "[ . 1 . 2]" 1
669 1 74 LEU QB 1 75 GLU H 3.000 . 3.600 2.684 2.454 2.909 . 0 0 "[ . 1 . 2]" 1
670 1 75 GLU H 1 75 GLU HA 3.000 . 3.600 2.859 2.791 2.902 . 0 0 "[ . 1 . 2]" 1
671 1 75 GLU H 1 75 GLU QB 3.000 . 3.600 2.302 2.159 2.468 . 0 0 "[ . 1 . 2]" 1
672 1 75 GLU H 1 75 GLU QG 3.000 . 3.600 2.648 2.133 3.062 . 0 0 "[ . 1 . 2]" 1
673 1 75 GLU H 1 76 PHE H 2.500 . 2.800 2.512 2.308 2.747 . 0 0 "[ . 1 . 2]" 1
674 1 75 GLU H 1 76 PHE HA 5.800 . 7.000 5.141 4.967 5.336 . 0 0 "[ . 1 . 2]" 1
675 1 75 GLU H 1 77 MET H 4.000 . 5.200 4.040 3.768 4.259 . 0 0 "[ . 1 . 2]" 1
676 1 75 GLU H 1 78 LYS H 4.800 . 5.800 4.710 4.412 5.291 . 0 0 "[ . 1 . 2]" 1
677 1 75 GLU HA 1 76 PHE H 3.800 . 4.600 3.529 3.476 3.556 . 0 0 "[ . 1 . 2]" 1
678 1 75 GLU HA 1 77 MET H 3.800 . 4.600 4.305 3.933 4.604 0.004 18 0 "[ . 1 . 2]" 1
679 1 75 GLU HA 1 78 LYS H 3.000 . 3.600 3.418 3.140 3.612 0.012 16 0 "[ . 1 . 2]" 1
680 1 75 GLU QB 1 76 PHE H 3.000 . 3.600 2.627 2.456 2.890 . 0 0 "[ . 1 . 2]" 1
681 1 75 GLU QG 1 76 PHE H 4.800 . 5.800 4.192 3.956 4.398 . 0 0 "[ . 1 . 2]" 1
682 1 76 PHE H 1 76 PHE HA 3.000 . 3.600 2.811 2.795 2.859 . 0 0 "[ . 1 . 2]" 1
683 1 76 PHE H 1 76 PHE QB 3.000 . 3.600 2.251 2.232 2.271 . 0 0 "[ . 1 . 2]" 1
684 1 76 PHE H 1 77 MET H 3.200 . 3.700 2.669 2.485 2.797 . 0 0 "[ . 1 . 2]" 1
685 1 76 PHE H 1 77 MET QB 4.800 . 5.800 4.459 4.251 4.689 . 0 0 "[ . 1 . 2]" 1
686 1 76 PHE H 1 78 LYS H 4.000 . 5.200 4.028 3.837 4.278 . 0 0 "[ . 1 . 2]" 1
687 1 76 PHE HA 1 77 MET H 3.800 . 4.600 3.520 3.461 3.559 . 0 0 "[ . 1 . 2]" 1
688 1 76 PHE HA 1 79 GLY H 4.800 . 5.800 5.809 5.799 5.828 0.028 4 0 "[ . 1 . 2]" 1
689 1 76 PHE HA 1 80 VAL MG1 4.800 . 5.800 4.134 2.330 4.695 . 0 0 "[ . 1 . 2]" 1
690 1 76 PHE QB 1 77 MET H 3.800 . 4.600 2.634 2.360 2.960 . 0 0 "[ . 1 . 2]" 1
691 1 77 MET H 1 77 MET HA 3.000 . 3.600 2.877 2.804 2.944 . 0 0 "[ . 1 . 2]" 1
692 1 77 MET H 1 77 MET QB 3.000 . 3.600 2.171 2.060 2.373 . 0 0 "[ . 1 . 2]" 1
693 1 77 MET H 1 78 LYS H 2.500 . 2.800 2.505 2.296 2.760 . 0 0 "[ . 1 . 2]" 1
694 1 77 MET HA 1 77 MET ME 3.800 . 4.600 3.237 1.974 3.773 . 0 0 "[ . 1 . 2]" 1
695 1 77 MET HA 1 78 LYS H 3.000 . 3.600 3.405 3.000 3.557 . 0 0 "[ . 1 . 2]" 1
696 1 77 MET HA 1 79 GLY H 4.800 . 5.800 3.836 3.128 4.313 . 0 0 "[ . 1 . 2]" 1
697 1 77 MET HA 1 80 VAL H 5.800 . 7.000 4.528 3.687 5.296 . 0 0 "[ . 1 . 2]" 1
698 1 77 MET HA 1 80 VAL MG1 4.800 . 5.800 4.524 3.588 4.768 . 0 0 "[ . 1 . 2]" 1
699 1 77 MET HA 1 80 VAL MG2 3.000 . 3.600 2.639 2.374 2.952 . 0 0 "[ . 1 . 2]" 1
700 1 77 MET QB 1 78 LYS H 3.800 . 4.600 2.995 2.536 3.723 . 0 0 "[ . 1 . 2]" 1
701 1 78 LYS H 1 78 LYS HA 3.000 . 3.600 2.887 2.855 2.911 . 0 0 "[ . 1 . 2]" 1
702 1 78 LYS H 1 78 LYS QB 3.000 . 3.600 2.262 2.144 2.609 . 0 0 "[ . 1 . 2]" 1
703 1 78 LYS H 1 79 GLY H 4.000 . 5.200 3.517 2.809 3.857 . 0 0 "[ . 1 . 2]" 1
704 1 78 LYS H 1 80 VAL H 5.800 . 7.000 5.457 4.195 6.289 . 0 0 "[ . 1 . 2]" 1
705 1 78 LYS HA 1 78 LYS QD 4.800 . 5.800 3.702 2.362 4.100 . 0 0 "[ . 1 . 2]" 1
706 1 78 LYS HA 1 79 GLY H 3.000 . 3.600 2.595 2.388 3.020 . 0 0 "[ . 1 . 2]" 1
707 1 78 LYS HA 1 80 VAL H 5.800 . 7.000 5.291 4.951 5.726 . 0 0 "[ . 1 . 2]" 1
708 1 78 LYS QB 1 79 GLY H 3.800 . 4.600 3.961 3.724 4.041 . 0 0 "[ . 1 . 2]" 1
709 1 79 GLY H 1 80 VAL H 3.200 . 3.700 2.712 2.366 3.116 . 0 0 "[ . 1 . 2]" 1
710 1 79 GLY QA 1 80 VAL H 3.000 . 3.600 2.387 2.212 2.565 . 0 0 "[ . 1 . 2]" 1
711 1 80 VAL H 1 80 VAL HA 3.000 . 3.600 2.871 2.794 2.933 . 0 0 "[ . 1 . 2]" 1
712 1 80 VAL H 1 80 VAL HB 3.000 . 3.600 2.864 2.604 3.639 0.039 16 0 "[ . 1 . 2]" 1
713 1 80 VAL H 1 80 VAL QG 3.800 . 4.600 2.008 1.863 2.307 . 0 0 "[ . 1 . 2]" 1
714 1 80 VAL H 1 81 GLU H 3.200 . 3.700 2.793 2.152 3.702 0.002 7 0 "[ . 1 . 2]" 1
715 1 80 VAL HA 1 80 VAL QG 3.000 . 3.600 2.118 2.011 2.249 . 0 0 "[ . 1 . 2]" 1
716 1 80 VAL HA 1 81 GLU H 3.000 . 3.600 3.244 2.400 3.572 . 0 0 "[ . 1 . 2]" 1
717 1 80 VAL HA 1 81 GLU HA 4.800 . 5.800 4.623 4.469 4.789 . 0 0 "[ . 1 . 2]" 1
718 1 80 VAL HB 1 81 GLU HA 4.800 . 5.800 4.385 4.113 4.729 . 0 0 "[ . 1 . 2]" 1
719 1 80 VAL QG 1 81 GLU H 4.800 . 5.800 3.289 2.034 3.754 . 0 0 "[ . 1 . 2]" 1
720 1 81 GLU H 1 81 GLU HA 3.000 . 3.600 2.896 2.827 2.948 . 0 0 "[ . 1 . 2]" 1
721 1 81 GLU H 1 81 GLU QB 3.000 . 3.600 2.536 2.134 2.948 . 0 0 "[ . 1 . 2]" 1
722 1 81 GLU H 1 81 GLU QG 3.000 . 3.600 2.473 1.968 3.227 . 0 0 "[ . 1 . 2]" 1
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