NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
380554 |
1ihq   |
4995 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ihq
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 1178
_Distance_constraint_stats_list.Viol_count 567
_Distance_constraint_stats_list.Viol_total 645.118
_Distance_constraint_stats_list.Viol_max 0.708
_Distance_constraint_stats_list.Viol_rms 0.0439
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0055
_Distance_constraint_stats_list.Viol_average_violations_only 0.1138
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLY 0.000 0.000 . 0 "[ . 1]"
1 2 ALA 0.000 0.000 . 0 "[ . 1]"
1 3 GLY 0.000 0.000 . 0 "[ . 1]"
1 4 SER 0.000 0.000 . 0 "[ . 1]"
1 5 SER 0.000 0.000 . 0 "[ . 1]"
1 6 SER 1.944 0.310 4 0 "[ . 1]"
1 7 LEU 2.296 0.310 4 0 "[ . 1]"
1 8 GLU 0.503 0.071 2 0 "[ . 1]"
1 9 ALA 0.000 0.000 . 0 "[ . 1]"
1 10 VAL 1.159 0.179 5 0 "[ . 1]"
1 11 ARG 1.596 0.179 5 0 "[ . 1]"
1 12 ARG 1.773 0.133 8 0 "[ . 1]"
1 13 LYS 0.411 0.076 10 0 "[ . 1]"
1 14 ILE 1.712 0.143 4 0 "[ . 1]"
1 15 ARG 0.000 0.000 . 0 "[ . 1]"
1 16 SER 1.214 0.133 8 0 "[ . 1]"
1 17 LEU 0.894 0.125 3 0 "[ . 1]"
1 18 GLN 0.077 0.036 5 0 "[ . 1]"
1 19 GLU 0.000 0.000 . 0 "[ . 1]"
1 20 GLN 1.194 0.220 7 0 "[ . 1]"
1 21 ASN 0.547 0.079 1 0 "[ . 1]"
1 22 TYR 0.000 0.000 . 0 "[ . 1]"
1 23 HIS 8.186 0.682 7 10 [******+-**]
1 24 LEU 7.270 0.682 7 10 [******+-**]
1 25 GLU 7.426 0.708 5 10 [****+****-]
1 26 ASN 7.434 0.708 5 10 [****+****-]
1 27 GLU 0.048 0.048 9 0 "[ . 1]"
1 28 VAL 1.877 0.195 9 0 "[ . 1]"
1 29 ALA 0.991 0.195 9 0 "[ . 1]"
1 30 ARG 0.652 0.204 6 0 "[ . 1]"
1 31 LEU 2.381 0.258 2 0 "[ . 1]"
1 32 LYS 1.239 0.204 6 0 "[ . 1]"
1 33 LYS 1.553 0.187 6 0 "[ . 1]"
1 34 LEU 0.072 0.047 4 0 "[ . 1]"
1 35 VAL 3.959 0.245 2 0 "[ . 1]"
1 36 GLY 0.526 0.199 7 0 "[ . 1]"
1 37 GLU 2.758 0.461 7 0 "[ . 1]"
1 38 ARG 1.549 0.461 7 0 "[ . 1]"
2 1 GLY 0.000 0.000 . 0 "[ . 1]"
2 2 ALA 0.000 0.000 . 0 "[ . 1]"
2 3 GLY 0.000 0.000 . 0 "[ . 1]"
2 4 SER 0.000 0.000 . 0 "[ . 1]"
2 5 SER 0.000 0.000 . 0 "[ . 1]"
2 6 SER 1.554 0.160 3 0 "[ . 1]"
2 7 LEU 1.837 0.160 3 0 "[ . 1]"
2 8 GLU 0.916 0.146 10 0 "[ . 1]"
2 9 ALA 0.000 0.000 . 0 "[ . 1]"
2 10 VAL 0.736 0.109 5 0 "[ . 1]"
2 11 ARG 1.185 0.165 4 0 "[ . 1]"
2 12 ARG 2.228 0.278 5 0 "[ . 1]"
2 13 LYS 0.447 0.087 7 0 "[ . 1]"
2 14 ILE 2.014 0.165 4 0 "[ . 1]"
2 15 ARG 0.000 0.000 . 0 "[ . 1]"
2 16 SER 1.517 0.278 5 0 "[ . 1]"
2 17 LEU 0.866 0.111 5 0 "[ . 1]"
2 18 GLN 0.101 0.051 6 0 "[ . 1]"
2 19 GLU 0.000 0.000 . 0 "[ . 1]"
2 20 GLN 1.428 0.195 8 0 "[ . 1]"
2 21 ASN 0.856 0.100 1 0 "[ . 1]"
2 22 TYR 0.000 0.000 . 0 "[ . 1]"
2 23 HIS 8.891 0.689 8 10 [**-****+**]
2 24 LEU 7.240 0.689 8 10 [**-****+**]
2 25 GLU 7.817 0.700 6 10 [**-**+****]
2 26 ASN 8.148 0.700 6 10 [**-**+****]
2 27 GLU 0.361 0.361 7 0 "[ . 1]"
2 28 VAL 2.214 0.248 6 0 "[ . 1]"
2 29 ALA 1.344 0.248 6 0 "[ . 1]"
2 30 ARG 0.185 0.094 10 0 "[ . 1]"
2 31 LEU 2.367 0.245 2 0 "[ . 1]"
2 32 LYS 0.666 0.119 7 0 "[ . 1]"
2 33 LYS 1.292 0.119 7 0 "[ . 1]"
2 34 LEU 0.103 0.086 3 0 "[ . 1]"
2 35 VAL 4.327 0.258 2 0 "[ . 1]"
2 36 GLY 0.438 0.159 2 0 "[ . 1]"
2 37 GLU 1.515 0.204 9 0 "[ . 1]"
2 38 ARG 0.251 0.056 9 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 GLY QA 1 2 ALA H . . 5.600 2.350 2.171 2.689 . 0 0 "[ . 1]" 1
2 1 1 GLY QA 1 2 ALA MB . . 6.600 3.754 3.431 4.082 . 0 0 "[ . 1]" 1
3 1 2 ALA MB 1 3 GLY QA . . 6.600 3.635 3.443 3.965 . 0 0 "[ . 1]" 1
4 1 3 GLY H 1 4 SER QB . . 4.600 3.653 3.308 4.307 . 0 0 "[ . 1]" 1
5 1 3 GLY QA 1 4 SER H . . 4.600 2.497 2.169 2.773 . 0 0 "[ . 1]" 1
6 1 4 SER HA 1 5 SER H . . 5.000 2.717 2.321 3.647 . 0 0 "[ . 1]" 1
7 1 4 SER QB 1 5 SER H . . 5.600 2.986 1.986 4.064 . 0 0 "[ . 1]" 1
8 1 5 SER H 1 10 VAL QG . . 7.400 4.960 4.404 5.376 . 0 0 "[ . 1]" 1
9 1 5 SER HA 1 6 SER H . . 4.000 3.274 2.222 3.648 . 0 0 "[ . 1]" 1
10 1 5 SER QB 1 6 SER H . . 5.600 2.480 1.783 3.694 . 0 0 "[ . 1]" 1
11 1 5 SER QB 1 7 LEU QD . . 8.400 5.076 4.557 5.412 . 0 0 "[ . 1]" 1
12 1 5 SER QB 2 7 LEU QD . . 8.400 3.067 2.139 3.759 . 0 0 "[ . 1]" 1
13 1 6 SER H 1 6 SER HB2 . . 4.000 3.527 2.738 3.950 . 0 0 "[ . 1]" 1
14 1 6 SER H 1 6 SER HB3 . . 4.000 3.897 3.537 4.063 0.063 1 0 "[ . 1]" 1
15 1 6 SER H 1 7 LEU QB . . 5.600 4.629 3.513 5.160 . 0 0 "[ . 1]" 1
16 1 6 SER H 1 9 ALA MB . . 6.000 4.809 4.266 4.987 . 0 0 "[ . 1]" 1
17 1 6 SER HA 1 7 LEU H . . 3.000 2.499 2.215 3.153 0.153 1 0 "[ . 1]" 1
18 1 6 SER HA 1 7 LEU QB . . 5.600 4.299 3.996 4.796 . 0 0 "[ . 1]" 1
19 1 6 SER HA 1 8 GLU H . . 4.000 3.603 3.167 3.964 . 0 0 "[ . 1]" 1
20 1 6 SER HA 1 8 GLU QG . . 6.000 4.671 2.977 5.421 . 0 0 "[ . 1]" 1
21 1 6 SER HA 1 9 ALA H . . 5.000 3.865 2.935 4.431 . 0 0 "[ . 1]" 1
22 1 6 SER HA 2 7 LEU QD . . 7.400 4.771 3.564 5.496 . 0 0 "[ . 1]" 1
23 1 6 SER QB 1 9 ALA H . . 4.000 2.517 1.890 3.408 . 0 0 "[ . 1]" 1
24 1 6 SER QB 1 10 VAL HB . . 5.000 4.180 3.308 4.476 . 0 0 "[ . 1]" 1
25 1 6 SER QB 1 10 VAL QG . . 8.400 3.311 1.841 4.492 . 0 0 "[ . 1]" 1
26 1 6 SER HB2 1 7 LEU H . . 4.000 4.018 3.754 4.310 0.310 4 0 "[ . 1]" 1
27 1 6 SER HB3 1 7 LEU H . . 4.000 3.883 3.301 4.227 0.227 8 0 "[ . 1]" 1
28 1 7 LEU H 1 8 GLU QB . . 5.600 4.639 4.450 4.779 . 0 0 "[ . 1]" 1
29 1 7 LEU H 1 8 GLU QG . . 6.000 4.103 3.225 5.170 . 0 0 "[ . 1]" 1
30 1 7 LEU H 1 9 ALA H . . 5.000 4.168 3.894 4.605 . 0 0 "[ . 1]" 1
31 1 7 LEU H 1 10 VAL H . . 5.000 4.555 4.449 4.727 . 0 0 "[ . 1]" 1
32 1 7 LEU H 1 11 ARG QB . . 6.000 5.566 5.484 5.662 . 0 0 "[ . 1]" 1
33 1 7 LEU HA 1 10 VAL H . . 3.500 3.538 3.358 3.626 0.126 4 0 "[ . 1]" 1
34 1 7 LEU HA 1 11 ARG H . . 4.000 3.668 3.409 3.871 . 0 0 "[ . 1]" 1
35 1 7 LEU HA 2 7 LEU QB . . 6.000 4.948 3.769 5.472 . 0 0 "[ . 1]" 1
36 1 7 LEU HA 2 7 LEU QD . . 7.400 3.446 2.590 4.951 . 0 0 "[ . 1]" 1
37 1 7 LEU HA 2 10 VAL QG . . 7.400 3.856 3.061 4.377 . 0 0 "[ . 1]" 1
38 1 7 LEU QB 1 8 GLU H . . 4.100 2.902 2.720 3.336 . 0 0 "[ . 1]" 1
39 1 7 LEU QB 1 8 GLU QG . . 6.600 3.632 2.885 4.902 . 0 0 "[ . 1]" 1
40 1 7 LEU QB 1 11 ARG QD . . 7.000 4.825 4.325 5.191 . 0 0 "[ . 1]" 1
41 1 7 LEU QB 2 7 LEU HA . . 6.000 5.016 3.728 5.392 . 0 0 "[ . 1]" 1
42 1 7 LEU QB 2 7 LEU QD . . 8.400 3.384 2.122 4.559 . 0 0 "[ . 1]" 1
43 1 7 LEU QB 2 10 VAL QG . . 8.400 4.660 3.981 5.081 . 0 0 "[ . 1]" 1
44 1 7 LEU QD 1 8 GLU H . . 7.400 3.722 2.202 4.241 . 0 0 "[ . 1]" 1
45 1 7 LEU QD 1 8 GLU QG . . 8.400 3.896 2.530 5.356 . 0 0 "[ . 1]" 1
46 1 7 LEU QD 1 11 ARG H . . 7.400 4.034 3.161 4.857 . 0 0 "[ . 1]" 1
47 1 7 LEU QD 1 11 ARG QD . . 8.400 3.601 2.186 5.059 . 0 0 "[ . 1]" 1
48 1 7 LEU QD 2 5 SER QB . . 8.400 2.742 1.701 4.630 . 0 0 "[ . 1]" 1
49 1 7 LEU QD 2 6 SER HA . . 7.400 4.541 3.672 5.343 . 0 0 "[ . 1]" 1
50 1 7 LEU QD 2 7 LEU HA . . 7.400 2.934 2.371 3.856 . 0 0 "[ . 1]" 1
51 1 7 LEU QD 2 7 LEU QB . . 8.400 3.020 2.102 4.018 . 0 0 "[ . 1]" 1
52 1 7 LEU QD 2 7 LEU HG . . 7.400 3.873 2.274 4.919 . 0 0 "[ . 1]" 1
53 1 7 LEU HG 2 7 LEU QD . . 7.400 4.395 2.519 5.226 . 0 0 "[ . 1]" 1
54 1 8 GLU H 1 8 GLU HB2 . . 4.000 2.754 2.164 3.567 . 0 0 "[ . 1]" 1
55 1 8 GLU H 1 8 GLU HB3 . . 4.000 3.262 2.353 3.573 . 0 0 "[ . 1]" 1
56 1 8 GLU H 1 9 ALA H . . 4.000 2.564 2.489 2.688 . 0 0 "[ . 1]" 1
57 1 8 GLU H 1 9 ALA MB . . 6.000 4.159 4.066 4.289 . 0 0 "[ . 1]" 1
58 1 8 GLU H 1 10 VAL H . . 4.000 3.965 3.747 4.025 0.025 4 0 "[ . 1]" 1
59 1 8 GLU HA 1 11 ARG H . . 4.000 3.326 3.207 3.503 . 0 0 "[ . 1]" 1
60 1 8 GLU HA 1 12 ARG H . . 4.000 4.040 3.961 4.071 0.071 2 0 "[ . 1]" 1
61 1 8 GLU QB 1 9 ALA H . . 4.600 2.807 2.314 3.463 . 0 0 "[ . 1]" 1
62 1 8 GLU QG 1 9 ALA H . . 6.000 3.404 1.863 4.354 . 0 0 "[ . 1]" 1
63 1 9 ALA H 1 10 VAL QG . . 7.400 4.094 3.553 4.515 . 0 0 "[ . 1]" 1
64 1 9 ALA HA 1 10 VAL H . . 4.000 3.614 3.595 3.622 . 0 0 "[ . 1]" 1
65 1 9 ALA HA 1 11 ARG H . . 5.000 4.234 4.059 4.496 . 0 0 "[ . 1]" 1
66 1 9 ALA HA 1 12 ARG QD . . 6.000 3.942 3.356 4.558 . 0 0 "[ . 1]" 1
67 1 9 ALA MB 1 10 VAL H . . 5.000 2.562 2.485 2.637 . 0 0 "[ . 1]" 1
68 1 9 ALA MB 1 10 VAL QG . . 8.400 3.240 2.552 3.999 . 0 0 "[ . 1]" 1
69 1 9 ALA MB 1 12 ARG QD . . 7.000 4.686 4.017 5.021 . 0 0 "[ . 1]" 1
70 1 10 VAL H 1 10 VAL HB . . 3.000 2.300 2.100 2.740 . 0 0 "[ . 1]" 1
71 1 10 VAL H 1 11 ARG H . . 4.000 2.500 2.431 2.598 . 0 0 "[ . 1]" 1
72 1 10 VAL H 1 11 ARG QB . . 5.600 4.207 4.134 4.293 . 0 0 "[ . 1]" 1
73 1 10 VAL HA 1 11 ARG H . . 5.000 3.552 3.510 3.598 . 0 0 "[ . 1]" 1
74 1 10 VAL HA 1 13 LYS H . . 4.000 3.147 3.061 3.215 . 0 0 "[ . 1]" 1
75 1 10 VAL HA 1 13 LYS HB2 . . 4.000 2.666 2.312 2.972 . 0 0 "[ . 1]" 1
76 1 10 VAL HA 1 13 LYS HB3 . . 4.000 3.002 2.758 3.214 . 0 0 "[ . 1]" 1
77 1 10 VAL HA 1 13 LYS QG . . 6.000 4.364 4.085 4.622 . 0 0 "[ . 1]" 1
78 1 10 VAL HA 1 14 ILE H . . 5.000 3.726 3.537 3.919 . 0 0 "[ . 1]" 1
79 1 10 VAL HA 2 10 VAL QG . . 7.400 4.061 3.686 4.439 . 0 0 "[ . 1]" 1
80 1 10 VAL HA 2 14 ILE MD . . 6.000 4.244 3.790 4.847 . 0 0 "[ . 1]" 1
81 1 10 VAL HA 2 14 ILE QG . . 6.000 2.888 2.548 3.354 . 0 0 "[ . 1]" 1
82 1 10 VAL HB 1 11 ARG H . . 3.500 3.308 3.048 3.679 0.179 5 0 "[ . 1]" 1
83 1 10 VAL HB 2 10 VAL QG . . 7.400 3.295 1.947 4.157 . 0 0 "[ . 1]" 1
84 1 10 VAL QG 1 11 ARG H . . 7.400 2.833 1.902 3.459 . 0 0 "[ . 1]" 1
85 1 10 VAL QG 1 13 LYS H . . 7.400 4.119 4.000 4.241 . 0 0 "[ . 1]" 1
86 1 10 VAL QG 1 13 LYS QG . . 8.400 4.599 4.346 4.901 . 0 0 "[ . 1]" 1
87 1 10 VAL QG 1 14 ILE H . . 7.400 3.706 3.436 3.935 . 0 0 "[ . 1]" 1
88 1 10 VAL QG 1 14 ILE HA . . 7.400 4.679 4.375 5.081 . 0 0 "[ . 1]" 1
89 1 10 VAL QG 2 7 LEU HA . . 7.400 3.593 2.474 4.139 . 0 0 "[ . 1]" 1
90 1 10 VAL QG 2 7 LEU QB . . 8.400 4.385 3.094 5.064 . 0 0 "[ . 1]" 1
91 1 10 VAL QG 2 10 VAL HA . . 7.400 4.153 3.942 4.513 . 0 0 "[ . 1]" 1
92 1 10 VAL QG 2 10 VAL HB . . 7.400 3.063 2.180 4.217 . 0 0 "[ . 1]" 1
93 1 10 VAL QG 2 11 ARG HA . . 7.400 2.696 2.431 3.046 . 0 0 "[ . 1]" 1
94 1 10 VAL QG 2 11 ARG QB . . 8.400 3.435 3.098 3.614 . 0 0 "[ . 1]" 1
95 1 10 VAL QG 2 11 ARG QD . . 8.400 4.665 3.934 5.166 . 0 0 "[ . 1]" 1
96 1 10 VAL QG 2 14 ILE HA . . 7.400 4.509 4.216 5.060 . 0 0 "[ . 1]" 1
97 1 10 VAL QG 2 14 ILE HB . . 7.400 2.521 2.200 3.188 . 0 0 "[ . 1]" 1
98 1 10 VAL QG 2 14 ILE QG . . 8.400 2.418 2.237 2.820 . 0 0 "[ . 1]" 1
99 1 11 ARG H 1 11 ARG QB . . 3.600 2.156 2.134 2.191 . 0 0 "[ . 1]" 1
100 1 11 ARG H 1 11 ARG QD . . 6.000 4.411 4.334 4.525 . 0 0 "[ . 1]" 1
101 1 11 ARG H 1 11 ARG HG3 . . 5.000 4.443 4.365 4.507 . 0 0 "[ . 1]" 1
102 1 11 ARG H 1 13 LYS H . . 5.000 3.822 3.711 4.000 . 0 0 "[ . 1]" 1
103 1 11 ARG H 1 14 ILE MG . . 6.000 4.033 3.878 4.106 . 0 0 "[ . 1]" 1
104 1 11 ARG HA 1 13 LYS H . . 5.000 4.234 4.124 4.413 . 0 0 "[ . 1]" 1
105 1 11 ARG HA 1 14 ILE H . . 4.000 3.464 3.403 3.531 . 0 0 "[ . 1]" 1
106 1 11 ARG HA 1 14 ILE HB . . 3.500 3.604 3.536 3.643 0.143 4 0 "[ . 1]" 1
107 1 11 ARG HA 1 14 ILE MD . . 6.000 4.776 4.447 4.927 . 0 0 "[ . 1]" 1
108 1 11 ARG HA 2 10 VAL QG . . 7.400 2.600 2.049 2.882 . 0 0 "[ . 1]" 1
109 1 11 ARG QB 1 12 ARG H . . 3.600 2.782 2.714 2.863 . 0 0 "[ . 1]" 1
110 1 11 ARG QB 2 10 VAL QG . . 8.400 3.398 3.138 3.587 . 0 0 "[ . 1]" 1
111 1 11 ARG QD 2 10 VAL QG . . 8.400 4.448 3.818 4.811 . 0 0 "[ . 1]" 1
112 1 11 ARG QG 1 12 ARG H . . 6.000 3.390 3.205 3.661 . 0 0 "[ . 1]" 1
113 1 12 ARG H 1 12 ARG QD . . 6.000 4.274 4.061 4.419 . 0 0 "[ . 1]" 1
114 1 12 ARG H 1 13 LYS H . . 3.500 2.393 2.378 2.409 . 0 0 "[ . 1]" 1
115 1 12 ARG H 1 14 ILE MG . . 6.000 4.034 3.881 4.107 . 0 0 "[ . 1]" 1
116 1 12 ARG H 1 15 ARG H . . 5.000 4.679 4.565 4.719 . 0 0 "[ . 1]" 1
117 1 12 ARG HA 1 13 LYS H . . 3.500 3.541 3.521 3.576 0.076 10 0 "[ . 1]" 1
118 1 12 ARG HA 1 15 ARG H . . 4.000 3.538 3.362 3.679 . 0 0 "[ . 1]" 1
119 1 12 ARG HA 1 16 SER H . . 3.500 3.593 3.512 3.633 0.133 8 0 "[ . 1]" 1
120 1 12 ARG QD 1 13 LYS H . . 6.000 4.041 3.376 4.464 . 0 0 "[ . 1]" 1
121 1 12 ARG QD 1 13 LYS QG . . 7.000 4.538 3.525 5.142 . 0 0 "[ . 1]" 1
122 1 12 ARG QD 1 16 SER QB . . 7.000 3.910 2.751 4.840 . 0 0 "[ . 1]" 1
123 1 12 ARG QG 1 13 LYS H . . 6.000 3.586 2.103 4.257 . 0 0 "[ . 1]" 1
124 1 12 ARG QG 1 13 LYS HA . . 6.000 3.936 3.156 4.358 . 0 0 "[ . 1]" 1
125 1 12 ARG QG 1 16 SER QB . . 7.000 3.653 2.787 4.493 . 0 0 "[ . 1]" 1
126 1 13 LYS H 1 13 LYS HB2 . . 3.500 2.142 2.057 2.244 . 0 0 "[ . 1]" 1
127 1 13 LYS H 1 13 LYS QB . . 3.600 2.095 2.030 2.163 . 0 0 "[ . 1]" 1
128 1 13 LYS H 1 13 LYS QD . . 6.000 3.819 3.019 4.502 . 0 0 "[ . 1]" 1
129 1 13 LYS H 1 14 ILE H . . 5.000 2.410 2.381 2.467 . 0 0 "[ . 1]" 1
130 1 13 LYS H 1 14 ILE MG . . 6.000 3.766 3.706 3.910 . 0 0 "[ . 1]" 1
131 1 13 LYS HA 1 13 LYS QE . . 6.000 3.574 2.165 4.185 . 0 0 "[ . 1]" 1
132 1 13 LYS HA 1 15 ARG H . . 5.000 4.700 4.609 4.853 . 0 0 "[ . 1]" 1
133 1 13 LYS HA 1 16 SER H . . 5.000 3.541 3.443 3.625 . 0 0 "[ . 1]" 1
134 1 13 LYS HA 1 17 LEU QD . . 7.400 3.414 2.629 3.989 . 0 0 "[ . 1]" 1
135 1 13 LYS HA 1 17 LEU HG . . 5.000 3.647 3.290 4.660 . 0 0 "[ . 1]" 1
136 1 13 LYS HA 2 14 ILE MD . . 6.000 4.460 4.151 4.646 . 0 0 "[ . 1]" 1
137 1 13 LYS QB 1 14 ILE HA . . 5.600 3.932 3.885 3.976 . 0 0 "[ . 1]" 1
138 1 13 LYS QB 2 14 ILE HA . . 6.000 4.569 4.262 4.838 . 0 0 "[ . 1]" 1
139 1 13 LYS HB2 1 14 ILE H . . 4.000 3.515 3.324 3.674 . 0 0 "[ . 1]" 1
140 1 13 LYS HB2 2 14 ILE MD . . 6.000 3.805 3.528 4.173 . 0 0 "[ . 1]" 1
141 1 13 LYS HB3 1 14 ILE H . . 4.000 3.027 2.897 3.208 . 0 0 "[ . 1]" 1
142 1 13 LYS HB3 2 14 ILE MD . . 6.000 2.528 2.201 2.829 . 0 0 "[ . 1]" 1
143 1 13 LYS QE 1 16 SER QB . . 7.000 4.846 2.849 5.571 . 0 0 "[ . 1]" 1
144 1 13 LYS QE 2 14 ILE MD . . 7.000 4.110 2.362 4.772 . 0 0 "[ . 1]" 1
145 1 13 LYS QE 2 14 ILE QG . . 7.000 4.791 3.887 5.464 . 0 0 "[ . 1]" 1
146 1 13 LYS QG 1 14 ILE H . . 6.000 4.457 4.319 4.621 . 0 0 "[ . 1]" 1
147 1 13 LYS QG 1 14 ILE HA . . 6.000 4.951 4.604 5.326 . 0 0 "[ . 1]" 1
148 1 13 LYS QG 1 17 LEU H . . 6.000 4.313 4.073 4.489 . 0 0 "[ . 1]" 1
149 1 13 LYS QG 2 14 ILE MD . . 7.000 2.569 1.982 3.512 . 0 0 "[ . 1]" 1
150 1 14 ILE H 1 14 ILE HB . . 3.500 2.352 2.324 2.378 . 0 0 "[ . 1]" 1
151 1 14 ILE H 1 15 ARG H . . 3.500 2.624 2.507 2.724 . 0 0 "[ . 1]" 1
152 1 14 ILE H 1 16 SER H . . 4.000 3.986 3.849 4.063 0.063 6 0 "[ . 1]" 1
153 1 14 ILE HA 1 15 ARG H . . 5.000 3.623 3.615 3.634 . 0 0 "[ . 1]" 1
154 1 14 ILE HA 1 16 SER H . . 5.000 4.597 4.455 4.699 . 0 0 "[ . 1]" 1
155 1 14 ILE HA 1 17 LEU H . . 4.000 3.639 3.518 3.690 . 0 0 "[ . 1]" 1
156 1 14 ILE HA 1 17 LEU HB2 . . 5.000 2.721 2.561 2.861 . 0 0 "[ . 1]" 1
157 1 14 ILE HA 1 17 LEU HB3 . . 5.000 4.297 4.077 4.506 . 0 0 "[ . 1]" 1
158 1 14 ILE HA 1 17 LEU QD . . 7.400 3.306 2.477 4.108 . 0 0 "[ . 1]" 1
159 1 14 ILE HA 1 17 LEU HG . . 5.000 4.093 3.574 4.352 . 0 0 "[ . 1]" 1
160 1 14 ILE HA 1 18 GLN H . . 5.000 3.949 3.794 4.159 . 0 0 "[ . 1]" 1
161 1 14 ILE HA 2 10 VAL QG . . 7.400 4.386 3.922 4.856 . 0 0 "[ . 1]" 1
162 1 14 ILE HA 2 13 LYS QB . . 6.000 4.548 4.273 4.740 . 0 0 "[ . 1]" 1
163 1 14 ILE HA 2 14 ILE HB . . 5.000 3.479 3.342 3.668 . 0 0 "[ . 1]" 1
164 1 14 ILE HA 2 14 ILE MD . . 6.000 3.784 3.393 4.242 . 0 0 "[ . 1]" 1
165 1 14 ILE HA 2 14 ILE MG . . 6.000 4.703 4.541 4.901 . 0 0 "[ . 1]" 1
166 1 14 ILE HA 2 17 LEU QD . . 7.400 3.306 2.247 4.423 . 0 0 "[ . 1]" 1
167 1 14 ILE HA 2 17 LEU HG . . 5.000 4.732 4.068 5.111 0.111 5 0 "[ . 1]" 1
168 1 14 ILE HB 1 15 ARG H . . 4.000 3.761 3.719 3.802 . 0 0 "[ . 1]" 1
169 1 14 ILE HB 2 10 VAL QG . . 7.400 2.394 1.890 2.993 . 0 0 "[ . 1]" 1
170 1 14 ILE HB 2 14 ILE HA . . 5.000 3.531 3.425 3.663 . 0 0 "[ . 1]" 1
171 1 14 ILE HB 2 14 ILE MD . . 6.000 4.464 4.252 4.804 . 0 0 "[ . 1]" 1
172 1 14 ILE HB 2 14 ILE MG . . 6.000 4.026 3.868 4.230 . 0 0 "[ . 1]" 1
173 1 14 ILE MD 1 15 ARG H . . 6.000 3.289 3.055 3.462 . 0 0 "[ . 1]" 1
174 1 14 ILE MD 1 15 ARG HA . . 6.000 2.909 2.727 3.092 . 0 0 "[ . 1]" 1
175 1 14 ILE MD 1 16 SER H . . 6.000 4.894 4.835 4.954 . 0 0 "[ . 1]" 1
176 1 14 ILE MD 1 18 GLN QG . . 7.000 3.600 3.219 4.133 . 0 0 "[ . 1]" 1
177 1 14 ILE MD 2 10 VAL HA . . 6.000 4.188 3.781 4.691 . 0 0 "[ . 1]" 1
178 1 14 ILE MD 2 13 LYS HA . . 6.000 4.456 4.304 4.692 . 0 0 "[ . 1]" 1
179 1 14 ILE MD 2 13 LYS HB2 . . 6.000 3.788 3.454 3.965 . 0 0 "[ . 1]" 1
180 1 14 ILE MD 2 13 LYS HB3 . . 6.000 2.522 2.148 2.797 . 0 0 "[ . 1]" 1
181 1 14 ILE MD 2 13 LYS QE . . 7.000 3.768 2.834 4.890 . 0 0 "[ . 1]" 1
182 1 14 ILE MD 2 13 LYS QG . . 7.000 2.486 2.066 3.066 . 0 0 "[ . 1]" 1
183 1 14 ILE MD 2 14 ILE HA . . 6.000 3.791 3.329 4.189 . 0 0 "[ . 1]" 1
184 1 14 ILE MD 2 14 ILE HB . . 6.000 4.444 4.157 4.663 . 0 0 "[ . 1]" 1
185 1 14 ILE MD 2 14 ILE QG . . 7.000 4.383 4.000 4.779 . 0 0 "[ . 1]" 1
186 1 14 ILE MD 2 17 LEU HB2 . . 6.000 4.005 3.427 4.420 . 0 0 "[ . 1]" 1
187 1 14 ILE MD 2 17 LEU HB3 . . 6.000 4.495 4.001 4.894 . 0 0 "[ . 1]" 1
188 1 14 ILE MD 2 17 LEU QD . . 8.400 2.244 1.733 2.970 . 0 0 "[ . 1]" 1
189 1 14 ILE QG 1 15 ARG H . . 6.000 4.373 4.253 4.434 . 0 0 "[ . 1]" 1
190 1 14 ILE QG 1 17 LEU QB . . 7.000 4.222 4.035 4.347 . 0 0 "[ . 1]" 1
191 1 14 ILE QG 2 10 VAL HA . . 6.000 2.839 2.517 3.219 . 0 0 "[ . 1]" 1
192 1 14 ILE QG 2 10 VAL QG . . 8.400 2.341 1.999 2.806 . 0 0 "[ . 1]" 1
193 1 14 ILE QG 2 13 LYS QE . . 7.000 4.690 4.214 5.201 . 0 0 "[ . 1]" 1
194 1 14 ILE QG 2 14 ILE MD . . 7.000 4.399 4.067 4.703 . 0 0 "[ . 1]" 1
195 1 14 ILE QG 2 14 ILE MG . . 7.000 3.956 3.751 4.166 . 0 0 "[ . 1]" 1
196 1 14 ILE QG 2 17 LEU QB . . 7.000 3.721 3.565 3.848 . 0 0 "[ . 1]" 1
197 1 14 ILE QG 2 17 LEU QD . . 8.400 2.863 1.950 4.011 . 0 0 "[ . 1]" 1
198 1 14 ILE QG 2 17 LEU HG . . 6.000 3.803 3.403 4.100 . 0 0 "[ . 1]" 1
199 1 14 ILE MG 1 15 ARG H . . 6.000 1.898 1.773 1.961 . 0 0 "[ . 1]" 1
200 1 14 ILE MG 1 16 SER H . . 6.000 4.117 4.034 4.184 . 0 0 "[ . 1]" 1
201 1 14 ILE MG 1 18 GLN H . . 6.000 4.822 4.772 4.877 . 0 0 "[ . 1]" 1
202 1 14 ILE MG 1 18 GLN HE21 . . 6.000 4.573 4.361 4.735 . 0 0 "[ . 1]" 1
203 1 14 ILE MG 1 18 GLN QE . . 7.000 4.335 4.196 4.469 . 0 0 "[ . 1]" 1
204 1 14 ILE MG 2 14 ILE HA . . 6.000 4.740 4.633 4.895 . 0 0 "[ . 1]" 1
205 1 14 ILE MG 2 14 ILE HB . . 6.000 4.035 3.877 4.215 . 0 0 "[ . 1]" 1
206 1 14 ILE MG 2 14 ILE QG . . 7.000 3.967 3.756 4.309 . 0 0 "[ . 1]" 1
207 1 15 ARG H 1 15 ARG QB . . 3.600 2.121 2.003 2.206 . 0 0 "[ . 1]" 1
208 1 15 ARG H 1 15 ARG QD . . 6.000 4.150 2.916 4.567 . 0 0 "[ . 1]" 1
209 1 15 ARG H 1 16 SER H . . 5.000 2.694 2.594 2.774 . 0 0 "[ . 1]" 1
210 1 15 ARG H 1 18 GLN H . . 5.000 4.571 4.506 4.625 . 0 0 "[ . 1]" 1
211 1 15 ARG HA 1 16 SER H . . 5.000 3.618 3.603 3.631 . 0 0 "[ . 1]" 1
212 1 15 ARG HA 1 18 GLN H . . 4.000 3.450 3.367 3.593 . 0 0 "[ . 1]" 1
213 1 15 ARG HA 1 18 GLN QB . . 5.000 2.518 2.420 2.620 . 0 0 "[ . 1]" 1
214 1 15 ARG HA 1 18 GLN HE21 . . 5.000 2.891 2.528 3.149 . 0 0 "[ . 1]" 1
215 1 15 ARG HA 1 18 GLN HE22 . . 5.000 3.924 3.539 4.362 . 0 0 "[ . 1]" 1
216 1 15 ARG QB 1 16 SER H . . 4.100 2.527 2.454 2.667 . 0 0 "[ . 1]" 1
217 1 15 ARG QB 1 19 GLU QG . . 7.000 4.556 4.261 4.756 . 0 0 "[ . 1]" 1
218 1 15 ARG QD 1 16 SER H . . 6.000 4.666 3.768 5.230 . 0 0 "[ . 1]" 1
219 1 15 ARG QG 1 19 GLU H . . 6.000 4.417 4.028 4.881 . 0 0 "[ . 1]" 1
220 1 15 ARG QG 1 19 GLU QG . . 7.000 3.412 3.022 4.037 . 0 0 "[ . 1]" 1
221 1 16 SER H 1 17 LEU H . . 4.000 2.759 2.666 2.837 . 0 0 "[ . 1]" 1
222 1 16 SER H 1 17 LEU QB . . 5.600 4.574 4.497 4.647 . 0 0 "[ . 1]" 1
223 1 16 SER H 1 18 GLN H . . 4.000 3.979 3.854 4.036 0.036 5 0 "[ . 1]" 1
224 1 16 SER HA 1 17 LEU H . . 5.000 3.633 3.613 3.643 . 0 0 "[ . 1]" 1
225 1 16 SER HA 1 18 GLN H . . 5.000 4.307 4.184 4.408 . 0 0 "[ . 1]" 1
226 1 16 SER HA 1 19 GLU QB . . 5.000 2.966 2.891 3.109 . 0 0 "[ . 1]" 1
227 1 16 SER HA 1 19 GLU QG . . 6.000 3.470 3.125 3.919 . 0 0 "[ . 1]" 1
228 1 16 SER HA 1 20 GLN H . . 5.000 4.323 4.173 4.438 . 0 0 "[ . 1]" 1
229 1 16 SER QB 1 17 LEU H . . 4.100 2.552 2.372 3.303 . 0 0 "[ . 1]" 1
230 1 16 SER QB 1 17 LEU HG . . 5.600 3.871 3.246 4.900 . 0 0 "[ . 1]" 1
231 1 16 SER QB 1 18 GLN H . . 6.000 4.596 4.430 4.913 . 0 0 "[ . 1]" 1
232 1 17 LEU H 1 17 LEU HG . . 5.000 2.685 2.309 3.621 . 0 0 "[ . 1]" 1
233 1 17 LEU H 1 18 GLN H . . 3.500 2.709 2.624 2.768 . 0 0 "[ . 1]" 1
234 1 17 LEU HA 1 18 GLN H . . 4.000 3.590 3.577 3.602 . 0 0 "[ . 1]" 1
235 1 17 LEU HA 1 20 GLN H . . 5.000 3.335 3.230 3.461 . 0 0 "[ . 1]" 1
236 1 17 LEU HA 1 20 GLN QB . . 4.500 2.396 2.224 2.523 . 0 0 "[ . 1]" 1
237 1 17 LEU HA 1 21 ASN H . . 4.000 4.006 3.925 4.079 0.079 1 0 "[ . 1]" 1
238 1 17 LEU HA 1 21 ASN QB . . 6.000 5.173 5.117 5.233 . 0 0 "[ . 1]" 1
239 1 17 LEU HA 1 21 ASN QD . . 6.000 3.628 3.269 4.031 . 0 0 "[ . 1]" 1
240 1 17 LEU QB 1 21 ASN H . . 6.000 4.522 4.446 4.622 . 0 0 "[ . 1]" 1
241 1 17 LEU QB 2 14 ILE QG . . 7.000 3.640 3.366 3.792 . 0 0 "[ . 1]" 1
242 1 17 LEU QB 2 17 LEU QD . . 8.400 2.619 2.493 2.856 . 0 0 "[ . 1]" 1
243 1 17 LEU QB 2 17 LEU HG . . 6.000 4.082 3.592 4.376 . 0 0 "[ . 1]" 1
244 1 17 LEU QB 2 18 GLN QB . . 7.000 4.412 4.191 4.740 . 0 0 "[ . 1]" 1
245 1 17 LEU QB 2 18 GLN QG . . 7.000 5.034 4.459 5.405 . 0 0 "[ . 1]" 1
246 1 17 LEU HB2 1 18 GLN H . . 5.000 2.845 2.787 2.932 . 0 0 "[ . 1]" 1
247 1 17 LEU HB2 1 21 ASN QD . . 6.000 4.327 3.654 4.973 . 0 0 "[ . 1]" 1
248 1 17 LEU HB2 2 14 ILE MD . . 6.000 3.953 3.250 4.388 . 0 0 "[ . 1]" 1
249 1 17 LEU HB2 2 17 LEU HB3 . . 5.000 2.908 2.683 3.266 . 0 0 "[ . 1]" 1
250 1 17 LEU HB3 1 18 GLN H . . 5.000 3.653 3.436 3.725 . 0 0 "[ . 1]" 1
251 1 17 LEU HB3 1 21 ASN QD . . 6.000 2.999 2.478 3.566 . 0 0 "[ . 1]" 1
252 1 17 LEU HB3 2 14 ILE MD . . 6.000 4.410 3.693 4.817 . 0 0 "[ . 1]" 1
253 1 17 LEU HB3 2 17 LEU HB2 . . 5.000 2.860 2.617 3.041 . 0 0 "[ . 1]" 1
254 1 17 LEU QD 1 18 GLN H . . 7.400 4.129 3.912 4.250 . 0 0 "[ . 1]" 1
255 1 17 LEU QD 1 20 GLN QE . . 8.400 3.761 3.501 4.287 . 0 0 "[ . 1]" 1
256 1 17 LEU QD 1 21 ASN HD21 . . 7.400 3.908 3.310 4.222 . 0 0 "[ . 1]" 1
257 1 17 LEU QD 1 21 ASN HD22 . . 7.400 3.596 2.844 4.044 . 0 0 "[ . 1]" 1
258 1 17 LEU QD 2 14 ILE HA . . 7.400 3.180 2.334 4.542 . 0 0 "[ . 1]" 1
259 1 17 LEU QD 2 14 ILE MD . . 8.400 2.059 1.686 2.825 . 0 0 "[ . 1]" 1
260 1 17 LEU QD 2 14 ILE QG . . 8.400 2.685 1.923 3.897 . 0 0 "[ . 1]" 1
261 1 17 LEU QD 2 17 LEU QB . . 8.400 2.593 2.416 2.941 . 0 0 "[ . 1]" 1
262 1 17 LEU QD 2 17 LEU HG . . 7.400 4.731 4.222 5.363 . 0 0 "[ . 1]" 1
263 1 17 LEU QD 2 18 GLN HA . . 7.400 1.983 1.889 2.141 . 0 0 "[ . 1]" 1
264 1 17 LEU QD 2 18 GLN HB2 . . 7.400 2.398 2.010 3.314 . 0 0 "[ . 1]" 1
265 1 17 LEU QD 2 18 GLN HB3 . . 7.400 3.632 3.379 4.315 . 0 0 "[ . 1]" 1
266 1 17 LEU QD 2 18 GLN HG2 . . 7.400 3.398 2.467 4.174 . 0 0 "[ . 1]" 1
267 1 17 LEU QD 2 18 GLN HG3 . . 7.400 2.753 2.217 3.053 . 0 0 "[ . 1]" 1
268 1 17 LEU QD 2 21 ASN HA . . 7.400 4.328 4.196 4.411 . 0 0 "[ . 1]" 1
269 1 17 LEU QD 2 21 ASN HB2 . . 7.400 2.673 2.510 3.036 . 0 0 "[ . 1]" 1
270 1 17 LEU QD 2 21 ASN HB3 . . 7.400 3.186 2.989 3.297 . 0 0 "[ . 1]" 1
271 1 17 LEU HG 2 14 ILE HA . . 5.000 4.816 4.116 5.125 0.125 3 0 "[ . 1]" 1
272 1 17 LEU HG 2 14 ILE QG . . 6.000 3.808 3.323 4.222 . 0 0 "[ . 1]" 1
273 1 17 LEU HG 2 17 LEU QB . . 6.000 4.144 3.491 4.392 . 0 0 "[ . 1]" 1
274 1 17 LEU HG 2 17 LEU QD . . 7.400 4.799 4.174 5.318 . 0 0 "[ . 1]" 1
275 1 17 LEU HG 2 18 GLN QG . . 6.000 4.911 4.374 5.301 . 0 0 "[ . 1]" 1
276 1 17 LEU HG 2 21 ASN QB . . 6.000 5.266 5.009 5.421 . 0 0 "[ . 1]" 1
277 1 18 GLN H 1 18 GLN HB3 . . 4.000 2.652 2.414 2.888 . 0 0 "[ . 1]" 1
278 1 18 GLN H 1 18 GLN HG2 . . 5.000 4.370 4.294 4.499 . 0 0 "[ . 1]" 1
279 1 18 GLN H 1 18 GLN HG3 . . 5.000 4.320 4.098 4.556 . 0 0 "[ . 1]" 1
280 1 18 GLN H 1 19 GLU H . . 3.500 2.839 2.774 2.929 . 0 0 "[ . 1]" 1
281 1 18 GLN HA 1 21 ASN HB2 . . 5.000 2.391 2.312 2.513 . 0 0 "[ . 1]" 1
282 1 18 GLN HA 1 21 ASN HB3 . . 5.000 3.913 3.813 4.063 . 0 0 "[ . 1]" 1
283 1 18 GLN HA 2 17 LEU QD . . 7.400 1.929 1.820 2.120 . 0 0 "[ . 1]" 1
284 1 18 GLN QB 1 19 GLU H . . 4.100 2.439 2.232 2.557 . 0 0 "[ . 1]" 1
285 1 18 GLN QB 2 17 LEU QB . . 7.000 4.405 4.126 4.626 . 0 0 "[ . 1]" 1
286 1 18 GLN HB2 2 17 LEU QD . . 7.400 2.436 2.072 3.095 . 0 0 "[ . 1]" 1
287 1 18 GLN HB3 2 17 LEU QD . . 7.400 3.588 3.313 3.980 . 0 0 "[ . 1]" 1
288 1 18 GLN QE 1 19 GLU QG . . 7.000 4.278 3.749 4.801 . 0 0 "[ . 1]" 1
289 1 18 GLN QE 1 19 GLU HG3 . . 6.000 4.848 4.255 5.355 . 0 0 "[ . 1]" 1
290 1 18 GLN HE21 1 19 GLU QG . . 6.000 4.840 4.046 5.390 . 0 0 "[ . 1]" 1
291 1 18 GLN HE22 1 19 GLU QG . . 6.000 4.921 3.997 5.422 . 0 0 "[ . 1]" 1
292 1 18 GLN QG 1 19 GLU QG . . 7.000 4.447 3.814 4.997 . 0 0 "[ . 1]" 1
293 1 18 GLN QG 1 21 ASN QB . . 7.000 3.361 3.260 3.511 . 0 0 "[ . 1]" 1
294 1 18 GLN QG 2 17 LEU QB . . 7.000 4.942 4.465 5.300 . 0 0 "[ . 1]" 1
295 1 18 GLN QG 2 17 LEU HG . . 6.000 4.712 3.814 5.337 . 0 0 "[ . 1]" 1
296 1 18 GLN HG2 2 17 LEU QD . . 7.400 3.270 2.812 3.938 . 0 0 "[ . 1]" 1
297 1 18 GLN HG3 2 17 LEU QD . . 7.400 2.622 2.086 3.099 . 0 0 "[ . 1]" 1
298 1 19 GLU H 1 19 GLU HG2 . . 5.000 3.098 2.247 3.549 . 0 0 "[ . 1]" 1
299 1 19 GLU H 1 19 GLU HG3 . . 5.000 2.673 2.092 3.217 . 0 0 "[ . 1]" 1
300 1 19 GLU HA 1 20 GLN H . . 5.000 3.609 3.594 3.624 . 0 0 "[ . 1]" 1
301 1 19 GLU HA 1 22 TYR CG . . 7.200 4.762 4.377 5.172 . 0 0 "[ . 1]" 1
302 1 19 GLU HA 1 22 TYR H . . 4.000 3.504 3.470 3.541 . 0 0 "[ . 1]" 1
303 1 19 GLU HA 1 22 TYR QB . . 6.000 2.906 2.800 3.106 . 0 0 "[ . 1]" 1
304 1 19 GLU QB 1 22 TYR QB . . 7.000 4.506 4.344 4.668 . 0 0 "[ . 1]" 1
305 1 19 GLU QG 1 22 TYR QB . . 7.000 4.488 4.289 4.937 . 0 0 "[ . 1]" 1
306 1 20 GLN H 1 20 GLN HG2 . . 5.000 4.204 4.099 4.317 . 0 0 "[ . 1]" 1
307 1 20 GLN H 1 20 GLN HG3 . . 5.000 4.426 4.398 4.454 . 0 0 "[ . 1]" 1
308 1 20 GLN H 1 21 ASN H . . 3.500 2.620 2.523 2.723 . 0 0 "[ . 1]" 1
309 1 20 GLN H 1 23 HIS H . . 5.000 4.503 4.439 4.581 . 0 0 "[ . 1]" 1
310 1 20 GLN HA 1 21 ASN H . . 4.000 3.575 3.551 3.618 . 0 0 "[ . 1]" 1
311 1 20 GLN HA 1 21 ASN QD . . 6.000 5.072 4.915 5.216 . 0 0 "[ . 1]" 1
312 1 20 GLN HA 1 23 HIS H . . 4.000 3.064 2.930 3.110 . 0 0 "[ . 1]" 1
313 1 20 GLN HA 1 23 HIS QB . . 5.000 2.042 1.927 2.232 . 0 0 "[ . 1]" 1
314 1 20 GLN QB 1 21 ASN H . . 5.600 2.880 2.654 3.004 . 0 0 "[ . 1]" 1
315 1 20 GLN QB 1 21 ASN HD21 . . 5.600 3.491 3.410 3.567 . 0 0 "[ . 1]" 1
316 1 20 GLN QB 1 21 ASN HD22 . . 5.600 4.674 4.591 4.733 . 0 0 "[ . 1]" 1
317 1 20 GLN QB 1 22 TYR H . . 6.000 5.041 4.834 5.129 . 0 0 "[ . 1]" 1
318 1 20 GLN QB 2 21 ASN HA . . 6.000 4.855 4.495 5.211 . 0 0 "[ . 1]" 1
319 1 20 GLN QB 2 21 ASN QB . . 7.000 4.564 4.336 4.829 . 0 0 "[ . 1]" 1
320 1 20 GLN HB3 1 21 ASN H . . 4.000 2.936 2.691 3.069 . 0 0 "[ . 1]" 1
321 1 20 GLN HE21 1 24 LEU MD2 . . 6.000 3.584 2.051 4.421 . 0 0 "[ . 1]" 1
322 1 20 GLN HE22 1 24 LEU MD1 . . 6.000 3.592 2.907 4.795 . 0 0 "[ . 1]" 1
323 1 20 GLN QG 1 21 ASN H . . 6.000 3.367 3.189 3.667 . 0 0 "[ . 1]" 1
324 1 20 GLN QG 1 21 ASN HA . . 6.000 3.245 3.128 3.467 . 0 0 "[ . 1]" 1
325 1 20 GLN QG 1 24 LEU HB2 . . 6.000 3.184 2.703 3.696 . 0 0 "[ . 1]" 1
326 1 20 GLN QG 1 24 LEU HB3 . . 6.000 4.375 4.083 4.649 . 0 0 "[ . 1]" 1
327 1 20 GLN QG 1 24 LEU QD . . 8.400 1.835 1.609 2.482 . 0 0 "[ . 1]" 1
328 1 20 GLN HG2 1 21 ASN QD . . 6.000 3.272 2.624 3.822 . 0 0 "[ . 1]" 1
329 1 20 GLN HG2 1 23 HIS H . . 5.000 5.119 5.040 5.220 0.220 7 0 "[ . 1]" 1
330 1 20 GLN HG2 1 23 HIS QB . . 6.000 4.642 4.475 4.806 . 0 0 "[ . 1]" 1
331 1 20 GLN HG2 2 24 LEU QD . . 7.400 4.735 4.421 4.950 . 0 0 "[ . 1]" 1
332 1 20 GLN HG2 2 25 GLU QB . . 6.000 5.085 4.712 5.269 . 0 0 "[ . 1]" 1
333 1 20 GLN HG3 1 21 ASN H . . 5.000 4.326 4.090 4.680 . 0 0 "[ . 1]" 1
334 1 20 GLN HG3 1 21 ASN QD . . 6.000 4.681 4.086 5.145 . 0 0 "[ . 1]" 1
335 1 20 GLN HG3 1 23 HIS H . . 5.000 4.625 4.306 4.876 . 0 0 "[ . 1]" 1
336 1 20 GLN HG3 1 23 HIS QB . . 6.000 3.497 3.123 3.600 . 0 0 "[ . 1]" 1
337 1 20 GLN HG3 2 24 LEU QD . . 7.400 5.238 5.076 5.445 . 0 0 "[ . 1]" 1
338 1 20 GLN HG3 2 25 GLU QB . . 6.000 5.149 5.056 5.220 . 0 0 "[ . 1]" 1
339 1 21 ASN H 1 21 ASN HB2 . . 4.000 2.142 2.090 2.172 . 0 0 "[ . 1]" 1
340 1 21 ASN H 1 21 ASN HB3 . . 4.000 3.441 3.394 3.463 . 0 0 "[ . 1]" 1
341 1 21 ASN H 1 21 ASN HD21 . . 5.000 2.303 2.100 2.580 . 0 0 "[ . 1]" 1
342 1 21 ASN H 1 21 ASN HD22 . . 5.000 3.900 3.750 4.130 . 0 0 "[ . 1]" 1
343 1 21 ASN H 1 22 TYR H . . 3.500 2.747 2.673 2.848 . 0 0 "[ . 1]" 1
344 1 21 ASN H 1 22 TYR QB . . 5.600 4.318 4.212 4.467 . 0 0 "[ . 1]" 1
345 1 21 ASN HA 1 22 TYR H . . 4.000 3.635 3.626 3.641 . 0 0 "[ . 1]" 1
346 1 21 ASN HA 1 24 LEU H . . 4.000 3.602 3.384 3.701 . 0 0 "[ . 1]" 1
347 1 21 ASN HA 1 24 LEU HB2 . . 5.000 3.289 3.018 3.408 . 0 0 "[ . 1]" 1
348 1 21 ASN HA 1 24 LEU HB3 . . 5.000 4.621 3.564 5.036 0.036 9 0 "[ . 1]" 1
349 1 21 ASN HA 1 24 LEU QD . . 7.400 3.497 2.910 4.040 . 0 0 "[ . 1]" 1
350 1 21 ASN HA 2 17 LEU QD . . 7.400 4.360 4.260 4.444 . 0 0 "[ . 1]" 1
351 1 21 ASN HA 2 20 GLN QB . . 6.000 4.820 4.508 5.137 . 0 0 "[ . 1]" 1
352 1 21 ASN HA 2 21 ASN QB . . 6.000 5.374 5.222 5.466 . 0 0 "[ . 1]" 1
353 1 21 ASN HA 2 24 LEU QB . . 6.000 3.988 3.751 4.245 . 0 0 "[ . 1]" 1
354 1 21 ASN HA 2 24 LEU QD . . 7.400 2.793 2.497 3.104 . 0 0 "[ . 1]" 1
355 1 21 ASN QB 1 22 TYR QB . . 6.200 3.809 3.547 3.997 . 0 0 "[ . 1]" 1
356 1 21 ASN QB 2 17 LEU HG . . 6.000 5.268 5.158 5.364 . 0 0 "[ . 1]" 1
357 1 21 ASN QB 2 20 GLN QB . . 7.000 4.479 4.192 4.829 . 0 0 "[ . 1]" 1
358 1 21 ASN QB 2 21 ASN HA . . 6.000 5.350 5.235 5.443 . 0 0 "[ . 1]" 1
359 1 21 ASN HB2 1 22 TYR H . . 4.000 2.678 2.601 2.770 . 0 0 "[ . 1]" 1
360 1 21 ASN HB2 1 23 HIS H . . 5.000 4.737 4.695 4.794 . 0 0 "[ . 1]" 1
361 1 21 ASN HB2 2 17 LEU QD . . 7.400 2.625 2.519 2.707 . 0 0 "[ . 1]" 1
362 1 21 ASN HB2 2 24 LEU QD . . 7.400 4.773 4.533 5.017 . 0 0 "[ . 1]" 1
363 1 21 ASN HB3 1 22 TYR H . . 4.000 3.090 3.015 3.173 . 0 0 "[ . 1]" 1
364 1 21 ASN HB3 1 23 HIS H . . 5.000 5.008 4.941 5.045 0.045 4 0 "[ . 1]" 1
365 1 21 ASN HB3 2 17 LEU QD . . 7.400 3.188 3.043 3.306 . 0 0 "[ . 1]" 1
366 1 21 ASN HB3 2 24 LEU QD . . 7.400 3.778 3.491 3.986 . 0 0 "[ . 1]" 1
367 1 21 ASN QD 1 24 LEU QD . . 8.400 4.196 3.262 5.139 . 0 0 "[ . 1]" 1
368 1 22 TYR CZ 1 26 ASN QD . . 8.200 5.099 3.026 5.935 . 0 0 "[ . 1]" 1
369 1 22 TYR H 1 23 HIS H . . 3.500 2.490 2.434 2.575 . 0 0 "[ . 1]" 1
370 1 22 TYR H 1 23 HIS QB . . 5.600 4.206 4.089 4.425 . 0 0 "[ . 1]" 1
371 1 22 TYR HA 1 23 HIS H . . 4.000 3.520 3.511 3.542 . 0 0 "[ . 1]" 1
372 1 22 TYR HA 1 25 GLU H . . 4.000 3.240 3.191 3.341 . 0 0 "[ . 1]" 1
373 1 22 TYR HA 1 25 GLU HB2 . . 4.000 3.397 3.291 3.530 . 0 0 "[ . 1]" 1
374 1 22 TYR HA 1 25 GLU HB3 . . 4.000 2.077 1.946 2.378 . 0 0 "[ . 1]" 1
375 1 22 TYR HA 1 25 GLU QG . . 6.000 3.977 3.810 4.360 . 0 0 "[ . 1]" 1
376 1 22 TYR HA 1 26 ASN H . . 4.000 3.554 3.368 3.834 . 0 0 "[ . 1]" 1
377 1 22 TYR HA 1 26 ASN QD . . 6.000 3.799 3.593 4.248 . 0 0 "[ . 1]" 1
378 1 22 TYR QB 1 23 HIS H . . 5.600 2.895 2.828 2.942 . 0 0 "[ . 1]" 1
379 1 22 TYR QB 1 23 HIS HA . . 5.600 3.838 3.804 3.881 . 0 0 "[ . 1]" 1
380 1 23 HIS H 1 23 HIS HD2 . . 5.000 4.324 3.282 4.965 . 0 0 "[ . 1]" 1
381 1 23 HIS H 1 24 LEU H . . 4.000 2.462 2.371 2.522 . 0 0 "[ . 1]" 1
382 1 23 HIS H 1 25 GLU H . . 4.000 3.607 3.543 3.699 . 0 0 "[ . 1]" 1
383 1 23 HIS HA 1 24 LEU H . . 4.000 3.598 3.557 3.615 . 0 0 "[ . 1]" 1
384 1 23 HIS HA 1 24 LEU HA . . 4.000 4.674 4.671 4.682 0.682 7 10 [******+-**] 1
385 1 23 HIS HA 1 26 ASN H . . 4.000 3.644 3.439 3.774 . 0 0 "[ . 1]" 1
386 1 23 HIS HA 1 26 ASN HB2 . . 5.000 3.155 2.897 3.325 . 0 0 "[ . 1]" 1
387 1 23 HIS HA 1 26 ASN HB3 . . 5.000 4.822 4.561 5.034 0.034 8 0 "[ . 1]" 1
388 1 23 HIS HA 1 26 ASN HD21 . . 5.000 3.483 3.275 4.021 . 0 0 "[ . 1]" 1
389 1 23 HIS HA 1 26 ASN HD22 . . 5.000 4.903 4.698 5.011 0.011 1 0 "[ . 1]" 1
390 1 23 HIS HA 1 27 GLU H . . 5.000 3.898 3.777 3.964 . 0 0 "[ . 1]" 1
391 1 23 HIS QB 1 24 LEU H . . 5.600 2.722 2.584 2.906 . 0 0 "[ . 1]" 1
392 1 23 HIS QB 1 24 LEU HA . . 5.600 4.019 3.875 4.241 . 0 0 "[ . 1]" 1
393 1 23 HIS QB 1 24 LEU QD . . 8.000 3.320 2.089 4.480 . 0 0 "[ . 1]" 1
394 1 23 HIS QB 1 25 GLU H . . 6.000 4.533 4.466 4.641 . 0 0 "[ . 1]" 1
395 1 23 HIS QB 1 26 ASN QB . . 7.000 4.996 4.724 5.184 . 0 0 "[ . 1]" 1
396 1 24 LEU H 1 24 LEU HG . . 5.000 3.488 2.512 4.572 . 0 0 "[ . 1]" 1
397 1 24 LEU H 1 25 GLU H . . 3.500 2.349 2.335 2.376 . 0 0 "[ . 1]" 1
398 1 24 LEU H 1 25 GLU HA . . 5.000 4.904 4.890 4.934 . 0 0 "[ . 1]" 1
399 1 24 LEU H 1 27 GLU QB . . 6.000 4.237 4.171 4.340 . 0 0 "[ . 1]" 1
400 1 24 LEU HA 1 25 GLU H . . 3.500 3.543 3.523 3.579 0.079 9 0 "[ . 1]" 1
401 1 24 LEU HA 1 27 GLU H . . 4.000 3.227 3.166 3.289 . 0 0 "[ . 1]" 1
402 1 24 LEU HA 1 27 GLU QG . . 6.000 3.706 3.393 4.101 . 0 0 "[ . 1]" 1
403 1 24 LEU HA 1 28 VAL H . . 5.000 3.365 3.163 3.509 . 0 0 "[ . 1]" 1
404 1 24 LEU HA 2 28 VAL MG1 . . 6.000 3.983 3.058 4.558 . 0 0 "[ . 1]" 1
405 1 24 LEU HA 2 28 VAL MG2 . . 6.000 4.077 3.699 4.538 . 0 0 "[ . 1]" 1
406 1 24 LEU QB 1 25 GLU H . . 4.600 2.959 2.794 3.060 . 0 0 "[ . 1]" 1
407 1 24 LEU QB 2 21 ASN HA . . 6.000 4.080 3.665 4.346 . 0 0 "[ . 1]" 1
408 1 24 LEU QB 2 24 LEU QB . . 7.000 1.831 1.760 1.884 . 0 0 "[ . 1]" 1
409 1 24 LEU QB 2 24 LEU HG . . 6.000 3.841 3.255 4.369 . 0 0 "[ . 1]" 1
410 1 24 LEU QD 1 25 GLU H . . 7.400 4.131 3.728 4.368 . 0 0 "[ . 1]" 1
411 1 24 LEU QD 1 27 GLU H . . 7.400 4.725 4.305 5.027 . 0 0 "[ . 1]" 1
412 1 24 LEU QD 2 20 GLN HG2 . . 7.400 4.699 4.272 4.971 . 0 0 "[ . 1]" 1
413 1 24 LEU QD 2 20 GLN HG3 . . 7.400 5.235 4.955 5.492 . 0 0 "[ . 1]" 1
414 1 24 LEU QD 2 21 ASN HA . . 7.400 2.851 2.390 3.046 . 0 0 "[ . 1]" 1
415 1 24 LEU QD 2 21 ASN HB2 . . 7.400 4.828 4.541 5.036 . 0 0 "[ . 1]" 1
416 1 24 LEU QD 2 21 ASN HB3 . . 7.400 3.868 3.713 4.049 . 0 0 "[ . 1]" 1
417 1 24 LEU QD 2 24 LEU HG . . 7.400 4.579 4.273 4.921 . 0 0 "[ . 1]" 1
418 1 24 LEU QD 2 25 GLU QB . . 8.400 2.273 1.958 2.518 . 0 0 "[ . 1]" 1
419 1 24 LEU QD 2 25 GLU HG2 . . 7.400 4.297 3.897 4.934 . 0 0 "[ . 1]" 1
420 1 24 LEU QD 2 25 GLU HG3 . . 7.400 3.421 2.851 4.173 . 0 0 "[ . 1]" 1
421 1 24 LEU HG 2 24 LEU QB . . 6.000 3.843 1.948 4.414 . 0 0 "[ . 1]" 1
422 1 24 LEU HG 2 24 LEU QD . . 7.400 4.496 3.667 5.057 . 0 0 "[ . 1]" 1
423 1 24 LEU HG 2 25 GLU HA . . 5.000 4.136 3.059 5.023 0.023 8 0 "[ . 1]" 1
424 1 24 LEU HG 2 25 GLU QB . . 6.000 4.622 4.057 5.053 . 0 0 "[ . 1]" 1
425 1 24 LEU HG 2 28 VAL MG1 . . 6.000 3.734 2.908 4.531 . 0 0 "[ . 1]" 1
426 1 24 LEU HG 2 28 VAL MG2 . . 6.000 4.477 3.810 4.850 . 0 0 "[ . 1]" 1
427 1 25 GLU H 1 25 GLU HB2 . . 4.000 2.704 2.633 2.787 . 0 0 "[ . 1]" 1
428 1 25 GLU H 1 25 GLU HB3 . . 4.000 2.295 2.216 2.328 . 0 0 "[ . 1]" 1
429 1 25 GLU H 1 25 GLU HG3 . . 5.000 4.503 4.477 4.512 . 0 0 "[ . 1]" 1
430 1 25 GLU H 1 26 ASN H . . 3.500 2.603 2.491 2.710 . 0 0 "[ . 1]" 1
431 1 25 GLU H 1 26 ASN QB . . 5.600 4.556 4.409 4.717 . 0 0 "[ . 1]" 1
432 1 25 GLU H 1 27 GLU H . . 4.000 3.689 3.611 3.814 . 0 0 "[ . 1]" 1
433 1 25 GLU H 1 27 GLU QB . . 5.000 4.459 4.426 4.507 . 0 0 "[ . 1]" 1
434 1 25 GLU HA 1 26 ASN H . . 5.000 3.613 3.602 3.623 . 0 0 "[ . 1]" 1
435 1 25 GLU HA 1 26 ASN HA . . 4.000 4.680 4.663 4.708 0.708 5 10 [****+****-] 1
436 1 25 GLU HA 1 28 VAL H . . 5.000 3.740 3.568 3.902 . 0 0 "[ . 1]" 1
437 1 25 GLU HA 1 29 ALA H . . 5.000 3.824 3.706 3.959 . 0 0 "[ . 1]" 1
438 1 25 GLU HA 2 24 LEU HG . . 5.000 3.783 3.151 4.647 . 0 0 "[ . 1]" 1
439 1 25 GLU HA 2 28 VAL QG . . 7.400 5.078 4.455 5.399 . 0 0 "[ . 1]" 1
440 1 25 GLU QB 2 20 GLN HG2 . . 6.000 5.033 4.762 5.279 . 0 0 "[ . 1]" 1
441 1 25 GLU QB 2 20 GLN HG3 . . 6.000 5.106 5.003 5.224 . 0 0 "[ . 1]" 1
442 1 25 GLU QB 2 24 LEU QD . . 8.400 2.166 1.931 2.397 . 0 0 "[ . 1]" 1
443 1 25 GLU QB 2 24 LEU HG . . 6.000 4.360 3.957 4.917 . 0 0 "[ . 1]" 1
444 1 25 GLU HB2 1 26 ASN H . . 4.000 4.020 3.997 4.040 0.040 7 0 "[ . 1]" 1
445 1 25 GLU HB3 1 26 ASN H . . 4.000 2.682 2.640 2.737 . 0 0 "[ . 1]" 1
446 1 25 GLU QG 1 26 ASN H . . 6.000 3.328 3.055 3.486 . 0 0 "[ . 1]" 1
447 1 25 GLU QG 1 26 ASN HA . . 6.000 3.230 3.028 3.339 . 0 0 "[ . 1]" 1
448 1 25 GLU QG 1 26 ASN QB . . 6.600 4.539 4.321 4.662 . 0 0 "[ . 1]" 1
449 1 25 GLU QG 1 28 VAL QG . . 8.400 3.515 3.337 3.707 . 0 0 "[ . 1]" 1
450 1 25 GLU QG 1 29 ALA H . . 6.000 4.249 4.159 4.352 . 0 0 "[ . 1]" 1
451 1 25 GLU QG 1 29 ALA HA . . 6.000 5.494 5.428 5.571 . 0 0 "[ . 1]" 1
452 1 25 GLU HG2 2 24 LEU QD . . 7.400 4.266 3.986 4.712 . 0 0 "[ . 1]" 1
453 1 25 GLU HG3 2 24 LEU QD . . 7.400 3.403 2.941 3.868 . 0 0 "[ . 1]" 1
454 1 26 ASN H 1 26 ASN HB2 . . 3.500 2.340 2.253 2.451 . 0 0 "[ . 1]" 1
455 1 26 ASN H 1 26 ASN HB3 . . 3.500 3.540 3.507 3.562 0.062 4 0 "[ . 1]" 1
456 1 26 ASN H 1 27 GLU H . . 5.000 2.389 2.339 2.462 . 0 0 "[ . 1]" 1
457 1 26 ASN H 1 27 GLU QB . . 4.600 4.129 4.076 4.201 . 0 0 "[ . 1]" 1
458 1 26 ASN HA 1 27 GLU H . . 5.000 3.565 3.537 3.582 . 0 0 "[ . 1]" 1
459 1 26 ASN HA 1 29 ALA H . . 5.000 3.631 3.530 3.827 . 0 0 "[ . 1]" 1
460 1 26 ASN HA 1 30 ARG H . . 5.000 3.644 3.272 3.875 . 0 0 "[ . 1]" 1
461 1 26 ASN QB 1 27 GLU H . . 5.600 2.780 2.691 2.882 . 0 0 "[ . 1]" 1
462 1 26 ASN QB 1 29 ALA MB . . 7.000 4.100 3.952 4.220 . 0 0 "[ . 1]" 1
463 1 26 ASN QB 1 30 ARG QD . . 7.000 4.747 3.724 5.506 . 0 0 "[ . 1]" 1
464 1 26 ASN HB2 1 27 GLU H . . 5.000 2.859 2.748 2.967 . 0 0 "[ . 1]" 1
465 1 26 ASN HB2 1 27 GLU HA . . 5.000 4.273 4.114 4.394 . 0 0 "[ . 1]" 1
466 1 26 ASN HB2 1 27 GLU QB . . 5.600 4.138 4.065 4.216 . 0 0 "[ . 1]" 1
467 1 26 ASN HB2 1 30 ARG QB . . 6.000 5.166 4.926 5.328 . 0 0 "[ . 1]" 1
468 1 26 ASN HB3 1 27 GLU HA . . 5.000 4.301 4.182 4.410 . 0 0 "[ . 1]" 1
469 1 26 ASN HB3 1 27 GLU QB . . 5.600 4.936 4.812 5.059 . 0 0 "[ . 1]" 1
470 1 26 ASN HB3 1 30 ARG QB . . 6.000 4.040 3.586 4.302 . 0 0 "[ . 1]" 1
471 1 27 GLU H 1 27 GLU HB2 . . 4.000 2.635 2.583 2.723 . 0 0 "[ . 1]" 1
472 1 27 GLU H 1 27 GLU HB3 . . 4.000 2.353 2.293 2.399 . 0 0 "[ . 1]" 1
473 1 27 GLU H 1 28 VAL QG . . 7.400 4.070 3.565 4.368 . 0 0 "[ . 1]" 1
474 1 27 GLU H 1 29 ALA H . . 5.000 4.046 3.900 4.236 . 0 0 "[ . 1]" 1
475 1 27 GLU HA 1 29 ALA H . . 5.000 4.698 4.440 4.861 . 0 0 "[ . 1]" 1
476 1 27 GLU HA 1 30 ARG H . . 5.000 3.797 3.641 3.903 . 0 0 "[ . 1]" 1
477 1 27 GLU HA 1 30 ARG QB . . 5.000 3.280 2.896 3.851 . 0 0 "[ . 1]" 1
478 1 27 GLU HA 1 30 ARG HD2 . . 5.000 4.459 3.519 5.048 0.048 9 0 "[ . 1]" 1
479 1 27 GLU HA 1 30 ARG HD3 . . 5.000 4.421 2.522 4.957 . 0 0 "[ . 1]" 1
480 1 27 GLU HA 1 30 ARG QG . . 6.000 4.274 1.959 5.436 . 0 0 "[ . 1]" 1
481 1 27 GLU HA 1 31 LEU H . . 5.000 4.137 3.951 4.317 . 0 0 "[ . 1]" 1
482 1 27 GLU HA 1 31 LEU QD . . 7.400 4.845 4.623 5.210 . 0 0 "[ . 1]" 1
483 1 27 GLU QB 1 28 VAL QG . . 8.000 4.005 2.809 4.195 . 0 0 "[ . 1]" 1
484 1 27 GLU QB 2 28 VAL QG . . 8.400 3.226 2.933 3.556 . 0 0 "[ . 1]" 1
485 1 27 GLU QG 1 28 VAL H . . 6.000 3.348 3.107 3.688 . 0 0 "[ . 1]" 1
486 1 27 GLU QG 1 28 VAL HA . . 6.000 3.410 3.261 3.661 . 0 0 "[ . 1]" 1
487 1 27 GLU QG 2 28 VAL QG . . 8.400 2.628 1.818 3.865 . 0 0 "[ . 1]" 1
488 1 27 GLU QG 2 32 LYS QE . . 7.000 3.519 2.509 4.490 . 0 0 "[ . 1]" 1
489 1 27 GLU HG2 2 28 VAL QG . . 7.400 2.762 1.831 4.111 . 0 0 "[ . 1]" 1
490 1 27 GLU HG3 2 28 VAL QG . . 7.400 3.537 2.875 4.698 . 0 0 "[ . 1]" 1
491 1 28 VAL H 1 29 ALA H . . 3.500 2.706 2.517 2.835 . 0 0 "[ . 1]" 1
492 1 28 VAL H 1 29 ALA MB . . 6.000 4.225 4.056 4.342 . 0 0 "[ . 1]" 1
493 1 28 VAL H 1 32 LYS QE . . 6.000 5.171 4.782 5.552 . 0 0 "[ . 1]" 1
494 1 28 VAL HA 1 29 ALA H . . 5.000 3.622 3.606 3.635 . 0 0 "[ . 1]" 1
495 1 28 VAL HA 1 29 ALA HA . . 5.000 4.840 4.787 4.901 . 0 0 "[ . 1]" 1
496 1 28 VAL HA 1 31 LEU H . . 5.000 3.248 3.017 3.449 . 0 0 "[ . 1]" 1
497 1 28 VAL HA 1 31 LEU QD . . 7.400 2.819 2.298 3.462 . 0 0 "[ . 1]" 1
498 1 28 VAL HA 1 31 LEU HG . . 5.000 4.168 4.016 4.319 . 0 0 "[ . 1]" 1
499 1 28 VAL HA 1 32 LYS H . . 5.000 3.793 3.335 4.166 . 0 0 "[ . 1]" 1
500 1 28 VAL HA 2 28 VAL HB . . 5.000 3.921 3.450 4.546 . 0 0 "[ . 1]" 1
501 1 28 VAL HA 2 28 VAL MG1 . . 6.000 4.108 2.761 5.001 . 0 0 "[ . 1]" 1
502 1 28 VAL HA 2 28 VAL MG2 . . 6.000 2.886 1.763 5.053 . 0 0 "[ . 1]" 1
503 1 28 VAL HA 2 31 LEU QB . . 6.000 4.447 4.248 4.771 . 0 0 "[ . 1]" 1
504 1 28 VAL HA 2 31 LEU QD . . 7.400 2.945 2.355 3.894 . 0 0 "[ . 1]" 1
505 1 28 VAL HA 2 31 LEU HG . . 5.000 5.083 4.859 5.190 0.190 1 0 "[ . 1]" 1
506 1 28 VAL HA 2 32 LYS QE . . 6.000 4.381 3.942 4.789 . 0 0 "[ . 1]" 1
507 1 28 VAL HB 1 29 ALA H . . 3.500 3.588 3.485 3.695 0.195 9 0 "[ . 1]" 1
508 1 28 VAL HB 2 28 VAL HA . . 5.000 4.015 3.510 4.350 . 0 0 "[ . 1]" 1
509 1 28 VAL HB 2 28 VAL MG1 . . 6.000 3.541 1.730 5.183 . 0 0 "[ . 1]" 1
510 1 28 VAL HB 2 28 VAL MG2 . . 6.000 2.967 2.082 4.505 . 0 0 "[ . 1]" 1
511 1 28 VAL QG 1 29 ALA H . . 7.400 1.879 1.742 2.052 . 0 0 "[ . 1]" 1
512 1 28 VAL QG 1 29 ALA MB . . 8.400 2.875 2.825 2.933 . 0 0 "[ . 1]" 1
513 1 28 VAL QG 1 32 LYS H . . 7.400 3.738 3.501 4.037 . 0 0 "[ . 1]" 1
514 1 28 VAL QG 1 32 LYS HD2 . . 7.400 2.760 2.232 3.626 . 0 0 "[ . 1]" 1
515 1 28 VAL QG 1 32 LYS HD3 . . 7.400 3.539 2.987 4.161 . 0 0 "[ . 1]" 1
516 1 28 VAL QG 1 32 LYS QE . . 8.400 1.862 1.630 2.657 . 0 0 "[ . 1]" 1
517 1 28 VAL QG 2 25 GLU HA . . 7.400 5.195 4.623 5.450 . 0 0 "[ . 1]" 1
518 1 28 VAL QG 2 27 GLU QB . . 8.400 3.035 2.653 3.606 . 0 0 "[ . 1]" 1
519 1 28 VAL QG 2 27 GLU HG2 . . 7.400 2.662 2.064 3.744 . 0 0 "[ . 1]" 1
520 1 28 VAL QG 2 27 GLU QG . . 8.400 2.477 1.977 3.283 . 0 0 "[ . 1]" 1
521 1 28 VAL QG 2 27 GLU HG3 . . 7.400 3.233 2.347 4.399 . 0 0 "[ . 1]" 1
522 1 28 VAL MG1 2 24 LEU HA . . 6.000 4.207 3.662 4.498 . 0 0 "[ . 1]" 1
523 1 28 VAL MG1 2 24 LEU HG . . 6.000 3.523 2.970 4.447 . 0 0 "[ . 1]" 1
524 1 28 VAL MG1 2 28 VAL HA . . 6.000 4.431 2.612 4.881 . 0 0 "[ . 1]" 1
525 1 28 VAL MG1 2 28 VAL HB . . 6.000 4.200 1.831 5.241 . 0 0 "[ . 1]" 1
526 1 28 VAL MG2 2 24 LEU HA . . 6.000 3.949 3.467 4.533 . 0 0 "[ . 1]" 1
527 1 28 VAL MG2 2 24 LEU HG . . 6.000 4.396 4.057 4.896 . 0 0 "[ . 1]" 1
528 1 28 VAL MG2 2 28 VAL HA . . 6.000 2.254 1.861 4.782 . 0 0 "[ . 1]" 1
529 1 28 VAL MG2 2 28 VAL HB . . 6.000 2.624 1.929 4.439 . 0 0 "[ . 1]" 1
530 1 29 ALA H 1 30 ARG H . . 3.500 2.953 2.781 3.099 . 0 0 "[ . 1]" 1
531 1 29 ALA H 1 31 LEU H . . 5.000 3.781 3.663 3.944 . 0 0 "[ . 1]" 1
532 1 29 ALA H 1 31 LEU QB . . 5.000 4.445 4.318 4.654 . 0 0 "[ . 1]" 1
533 1 29 ALA H 1 32 LYS QD . . 6.000 3.823 3.086 4.578 . 0 0 "[ . 1]" 1
534 1 29 ALA H 1 32 LYS QE . . 6.000 4.056 3.384 4.470 . 0 0 "[ . 1]" 1
535 1 29 ALA HA 1 32 LYS H . . 4.000 3.713 3.375 4.056 0.056 4 0 "[ . 1]" 1
536 1 29 ALA HA 1 32 LYS HD2 . . 5.000 2.162 1.952 2.696 . 0 0 "[ . 1]" 1
537 1 29 ALA HA 1 32 LYS HD3 . . 5.000 2.898 1.973 3.658 . 0 0 "[ . 1]" 1
538 1 29 ALA HA 1 32 LYS QE . . 6.000 3.177 1.972 3.984 . 0 0 "[ . 1]" 1
539 1 29 ALA HA 1 33 LYS H . . 5.000 4.304 3.969 4.436 . 0 0 "[ . 1]" 1
540 1 29 ALA MB 1 30 ARG H . . 5.000 2.336 2.093 2.535 . 0 0 "[ . 1]" 1
541 1 29 ALA MB 1 30 ARG QB . . 6.600 3.688 3.576 3.863 . 0 0 "[ . 1]" 1
542 1 29 ALA MB 1 31 LEU H . . 6.000 4.123 3.971 4.368 . 0 0 "[ . 1]" 1
543 1 29 ALA MB 1 32 LYS H . . 6.000 4.851 4.455 5.165 . 0 0 "[ . 1]" 1
544 1 29 ALA MB 1 33 LYS QB . . 7.000 4.235 3.804 4.476 . 0 0 "[ . 1]" 1
545 1 30 ARG H 1 30 ARG HA . . 3.000 2.751 2.702 2.808 . 0 0 "[ . 1]" 1
546 1 30 ARG H 1 30 ARG HB2 . . 3.500 2.620 2.051 3.533 0.033 10 0 "[ . 1]" 1
547 1 30 ARG H 1 30 ARG HD2 . . 5.000 4.738 4.181 4.996 . 0 0 "[ . 1]" 1
548 1 30 ARG H 1 30 ARG HD3 . . 5.000 4.842 4.135 5.034 0.034 8 0 "[ . 1]" 1
549 1 30 ARG H 1 30 ARG HG2 . . 5.000 3.983 2.355 4.568 . 0 0 "[ . 1]" 1
550 1 30 ARG H 1 30 ARG HG3 . . 5.000 3.820 2.612 4.466 . 0 0 "[ . 1]" 1
551 1 30 ARG H 1 31 LEU H . . 3.500 2.647 2.482 2.770 . 0 0 "[ . 1]" 1
552 1 30 ARG H 1 32 LYS H . . 5.000 4.697 4.132 5.015 0.015 6 0 "[ . 1]" 1
553 1 30 ARG H 1 32 LYS QD . . 6.000 4.851 4.106 5.436 . 0 0 "[ . 1]" 1
554 1 30 ARG HA 1 32 LYS H . . 5.000 4.865 4.074 5.204 0.204 6 0 "[ . 1]" 1
555 1 30 ARG HA 1 33 LYS H . . 5.000 3.417 3.145 3.568 . 0 0 "[ . 1]" 1
556 1 30 ARG HA 1 33 LYS QD . . 6.000 3.691 2.821 5.105 . 0 0 "[ . 1]" 1
557 1 30 ARG HA 1 33 LYS QG . . 6.000 4.236 3.750 4.684 . 0 0 "[ . 1]" 1
558 1 30 ARG QB 1 31 LEU QB . . 6.200 4.241 3.925 4.800 . 0 0 "[ . 1]" 1
559 1 30 ARG QB 1 33 LYS QB . . 7.000 4.128 3.732 4.473 . 0 0 "[ . 1]" 1
560 1 30 ARG HB2 1 31 LEU H . . 5.000 3.968 3.535 4.267 . 0 0 "[ . 1]" 1
561 1 30 ARG HB3 1 31 LEU H . . 5.000 3.362 2.988 4.003 . 0 0 "[ . 1]" 1
562 1 30 ARG QD 1 34 LEU QB . . 7.000 3.936 2.577 4.977 . 0 0 "[ . 1]" 1
563 1 30 ARG QD 1 34 LEU QD . . 8.400 3.651 2.744 4.709 . 0 0 "[ . 1]" 1
564 1 30 ARG QG 1 31 LEU H . . 6.000 3.683 2.127 4.598 . 0 0 "[ . 1]" 1
565 1 30 ARG QG 1 33 LYS H . . 6.000 4.795 4.522 5.121 . 0 0 "[ . 1]" 1
566 1 30 ARG QG 1 34 LEU H . . 6.000 4.194 3.738 4.902 . 0 0 "[ . 1]" 1
567 1 30 ARG QG 1 34 LEU QD . . 8.400 3.579 2.977 4.401 . 0 0 "[ . 1]" 1
568 1 31 LEU H 1 32 LYS H . . 4.000 2.749 2.470 2.972 . 0 0 "[ . 1]" 1
569 1 31 LEU H 1 32 LYS QE . . 6.000 5.004 4.214 5.520 . 0 0 "[ . 1]" 1
570 1 31 LEU H 1 33 LYS H . . 5.000 3.699 3.484 3.937 . 0 0 "[ . 1]" 1
571 1 31 LEU H 1 34 LEU H . . 5.000 4.380 4.247 4.686 . 0 0 "[ . 1]" 1
572 1 31 LEU HA 1 32 LYS H . . 5.000 3.628 3.560 3.640 . 0 0 "[ . 1]" 1
573 1 31 LEU HA 1 33 LYS H . . 5.000 4.109 3.881 4.471 . 0 0 "[ . 1]" 1
574 1 31 LEU HA 1 34 LEU H . . 5.000 3.239 2.950 3.926 . 0 0 "[ . 1]" 1
575 1 31 LEU HA 1 34 LEU HB2 . . 4.000 3.332 3.028 4.047 0.047 4 0 "[ . 1]" 1
576 1 31 LEU HA 1 34 LEU HB3 . . 4.000 2.836 2.185 3.776 . 0 0 "[ . 1]" 1
577 1 31 LEU HA 1 35 VAL H . . 5.000 3.508 3.319 3.958 . 0 0 "[ . 1]" 1
578 1 31 LEU QB 1 32 LYS HA . . 5.600 4.150 3.957 4.416 . 0 0 "[ . 1]" 1
579 1 31 LEU QB 2 28 VAL HA . . 6.000 4.520 4.363 4.732 . 0 0 "[ . 1]" 1
580 1 31 LEU QB 2 32 LYS QE . . 7.000 3.759 2.989 4.132 . 0 0 "[ . 1]" 1
581 1 31 LEU HB2 1 32 LYS H . . 5.000 3.731 3.491 4.036 . 0 0 "[ . 1]" 1
582 1 31 LEU HB3 1 32 LYS H . . 5.000 2.378 2.115 2.942 . 0 0 "[ . 1]" 1
583 1 31 LEU QD 1 32 LYS H . . 7.400 3.672 3.159 4.099 . 0 0 "[ . 1]" 1
584 1 31 LEU QD 1 34 LEU H . . 7.400 4.137 3.555 5.203 . 0 0 "[ . 1]" 1
585 1 31 LEU QD 1 35 VAL H . . 7.400 3.124 2.601 4.433 . 0 0 "[ . 1]" 1
586 1 31 LEU QD 2 28 VAL HA . . 7.400 3.266 2.476 4.168 . 0 0 "[ . 1]" 1
587 1 31 LEU QD 2 32 LYS HA . . 7.400 3.032 2.476 3.506 . 0 0 "[ . 1]" 1
588 1 31 LEU QD 2 32 LYS QB . . 8.400 2.854 1.717 3.468 . 0 0 "[ . 1]" 1
589 1 31 LEU QD 2 32 LYS QD . . 8.400 2.934 1.831 3.328 . 0 0 "[ . 1]" 1
590 1 31 LEU QD 2 32 LYS QE . . 8.400 1.827 1.745 1.917 . 0 0 "[ . 1]" 1
591 1 31 LEU QD 2 32 LYS QG . . 8.400 2.201 1.552 3.495 . 0 0 "[ . 1]" 1
592 1 31 LEU QD 2 35 VAL HB . . 7.400 4.322 3.803 4.584 . 0 0 "[ . 1]" 1
593 1 31 LEU MD1 2 31 LEU HG . . 6.000 4.111 3.789 4.592 . 0 0 "[ . 1]" 1
594 1 31 LEU MD2 2 31 LEU HG . . 6.000 3.141 2.102 4.121 . 0 0 "[ . 1]" 1
595 1 31 LEU HG 1 32 LYS H . . 5.000 3.610 2.698 4.525 . 0 0 "[ . 1]" 1
596 1 31 LEU HG 1 35 VAL H . . 5.000 4.435 3.890 5.150 0.150 10 0 "[ . 1]" 1
597 1 31 LEU HG 2 28 VAL HA . . 5.000 5.080 4.925 5.191 0.191 7 0 "[ . 1]" 1
598 1 31 LEU HG 2 31 LEU MD1 . . 6.000 3.954 3.228 4.530 . 0 0 "[ . 1]" 1
599 1 31 LEU HG 2 31 LEU MD2 . . 6.000 2.703 1.720 4.117 . 0 0 "[ . 1]" 1
600 1 31 LEU HG 2 32 LYS QD . . 6.000 5.266 4.265 5.588 . 0 0 "[ . 1]" 1
601 1 31 LEU HG 2 32 LYS QE . . 6.000 4.073 3.611 4.403 . 0 0 "[ . 1]" 1
602 1 31 LEU HG 2 32 LYS QG . . 6.000 3.870 3.002 5.046 . 0 0 "[ . 1]" 1
603 1 31 LEU HG 2 35 VAL HB . . 5.000 5.131 4.997 5.258 0.258 2 0 "[ . 1]" 1
604 1 31 LEU HG 2 35 VAL MG1 . . 6.000 4.030 2.956 4.831 . 0 0 "[ . 1]" 1
605 1 31 LEU HG 2 35 VAL MG2 . . 6.000 3.656 3.003 3.916 . 0 0 "[ . 1]" 1
606 1 32 LYS H 1 32 LYS HD2 . . 5.000 2.946 2.020 4.314 . 0 0 "[ . 1]" 1
607 1 32 LYS H 1 32 LYS HD3 . . 5.000 3.988 3.506 4.417 . 0 0 "[ . 1]" 1
608 1 32 LYS H 1 32 LYS QE . . 6.000 3.492 2.514 4.383 . 0 0 "[ . 1]" 1
609 1 32 LYS H 1 33 LYS H . . 3.500 2.710 2.444 2.811 . 0 0 "[ . 1]" 1
610 1 32 LYS H 1 33 LYS HB2 . . 5.000 5.008 4.766 5.118 0.118 1 0 "[ . 1]" 1
611 1 32 LYS H 1 33 LYS HB3 . . 5.000 4.980 4.715 5.086 0.086 10 0 "[ . 1]" 1
612 1 32 LYS H 1 35 VAL QG . . 7.400 3.550 3.298 4.374 . 0 0 "[ . 1]" 1
613 1 32 LYS HA 1 32 LYS QE . . 6.000 4.517 4.033 4.927 . 0 0 "[ . 1]" 1
614 1 32 LYS HA 1 33 LYS H . . 5.000 3.555 3.505 3.584 . 0 0 "[ . 1]" 1
615 1 32 LYS HA 1 35 VAL H . . 4.000 3.593 3.411 3.774 . 0 0 "[ . 1]" 1
616 1 32 LYS HA 1 36 GLY H . . 4.000 3.443 2.878 3.734 . 0 0 "[ . 1]" 1
617 1 32 LYS HA 2 31 LEU QD . . 7.400 2.828 2.360 3.274 . 0 0 "[ . 1]" 1
618 1 32 LYS HA 2 35 VAL MG1 . . 6.000 4.130 2.727 5.195 . 0 0 "[ . 1]" 1
619 1 32 LYS HA 2 35 VAL MG2 . . 6.000 4.324 3.468 5.020 . 0 0 "[ . 1]" 1
620 1 32 LYS QB 1 35 VAL QG . . 8.400 3.347 3.037 4.019 . 0 0 "[ . 1]" 1
621 1 32 LYS QB 2 31 LEU QD . . 8.400 2.473 1.716 3.361 . 0 0 "[ . 1]" 1
622 1 32 LYS QD 1 33 LYS H . . 6.000 3.938 2.101 4.497 . 0 0 "[ . 1]" 1
623 1 32 LYS QD 2 31 LEU QD . . 8.400 3.006 2.561 3.584 . 0 0 "[ . 1]" 1
624 1 32 LYS QD 2 31 LEU HG . . 6.000 5.375 5.167 5.530 . 0 0 "[ . 1]" 1
625 1 32 LYS QE 2 27 GLU QG . . 7.000 3.557 2.518 4.375 . 0 0 "[ . 1]" 1
626 1 32 LYS QE 2 28 VAL HA . . 6.000 4.559 3.896 5.313 . 0 0 "[ . 1]" 1
627 1 32 LYS QE 2 31 LEU QB . . 7.000 3.784 2.950 4.635 . 0 0 "[ . 1]" 1
628 1 32 LYS QE 2 31 LEU QD . . 8.400 1.903 1.741 2.219 . 0 0 "[ . 1]" 1
629 1 32 LYS QE 2 31 LEU HG . . 6.000 4.305 3.968 4.610 . 0 0 "[ . 1]" 1
630 1 32 LYS QG 1 33 LYS H . . 6.000 3.305 2.165 4.375 . 0 0 "[ . 1]" 1
631 1 32 LYS QG 2 31 LEU QD . . 8.400 2.459 1.548 3.418 . 0 0 "[ . 1]" 1
632 1 32 LYS QG 2 31 LEU HG . . 6.000 4.327 3.218 5.504 . 0 0 "[ . 1]" 1
633 1 33 LYS H 1 33 LYS HA . . 3.000 2.849 2.771 2.870 . 0 0 "[ . 1]" 1
634 1 33 LYS H 1 33 LYS QB . . 3.600 2.227 2.191 2.243 . 0 0 "[ . 1]" 1
635 1 33 LYS H 1 33 LYS HB3 . . 3.000 2.465 2.422 2.498 . 0 0 "[ . 1]" 1
636 1 33 LYS H 1 33 LYS QD . . 6.000 4.391 4.214 4.515 . 0 0 "[ . 1]" 1
637 1 33 LYS H 1 33 LYS QE . . 6.000 4.903 4.368 5.316 . 0 0 "[ . 1]" 1
638 1 33 LYS H 1 33 LYS HG3 . . 5.000 4.457 4.363 4.598 . 0 0 "[ . 1]" 1
639 1 33 LYS H 1 35 VAL H . . 4.000 4.052 3.964 4.187 0.187 6 0 "[ . 1]" 1
640 1 33 LYS HA 1 33 LYS HB2 . . 3.000 2.474 2.434 2.490 . 0 0 "[ . 1]" 1
641 1 33 LYS HA 1 33 LYS HB3 . . 3.000 3.033 3.032 3.034 0.034 10 0 "[ . 1]" 1
642 1 33 LYS HA 1 33 LYS QE . . 6.000 3.809 2.716 4.688 . 0 0 "[ . 1]" 1
643 1 33 LYS HA 1 34 LEU H . . 4.000 3.591 3.545 3.639 . 0 0 "[ . 1]" 1
644 1 33 LYS HA 1 36 GLY QA . . 4.500 3.955 3.609 4.181 . 0 0 "[ . 1]" 1
645 1 33 LYS QG 1 34 LEU H . . 6.000 3.839 3.158 4.376 . 0 0 "[ . 1]" 1
646 1 34 LEU H 1 34 LEU HG . . 5.000 4.384 3.881 4.562 . 0 0 "[ . 1]" 1
647 1 34 LEU H 1 35 VAL H . . 3.500 2.636 2.491 2.941 . 0 0 "[ . 1]" 1
648 1 34 LEU H 1 35 VAL QG . . 7.400 3.532 3.107 4.628 . 0 0 "[ . 1]" 1
649 1 34 LEU H 1 35 VAL MG2 . . 6.000 3.743 3.139 4.860 . 0 0 "[ . 1]" 1
650 1 34 LEU HA 1 35 VAL H . . 5.000 3.624 3.604 3.637 . 0 0 "[ . 1]" 1
651 1 34 LEU HB2 1 35 VAL H . . 4.000 3.667 3.155 3.898 . 0 0 "[ . 1]" 1
652 1 34 LEU HB3 1 35 VAL H . . 4.000 2.556 2.379 2.778 . 0 0 "[ . 1]" 1
653 1 34 LEU QD 1 35 VAL H . . 7.400 3.515 2.974 4.038 . 0 0 "[ . 1]" 1
654 1 34 LEU HG 1 35 VAL H . . 5.000 4.554 4.156 5.025 0.025 4 0 "[ . 1]" 1
655 1 35 VAL H 1 35 VAL HA . . 3.000 2.760 2.704 2.824 . 0 0 "[ . 1]" 1
656 1 35 VAL H 1 35 VAL HB . . 3.500 3.257 2.154 3.532 0.032 2 0 "[ . 1]" 1
657 1 35 VAL HA 1 37 GLU H . . 4.000 3.941 3.789 4.104 0.104 4 0 "[ . 1]" 1
658 1 35 VAL HA 2 35 VAL HB . . 5.000 4.661 4.116 5.204 0.204 3 0 "[ . 1]" 1
659 1 35 VAL HA 2 35 VAL MG1 . . 6.000 3.687 2.625 4.902 . 0 0 "[ . 1]" 1
660 1 35 VAL HA 2 35 VAL MG2 . . 6.000 4.280 3.820 4.949 . 0 0 "[ . 1]" 1
661 1 35 VAL HB 1 36 GLY H . . 3.500 3.223 2.169 3.699 0.199 7 0 "[ . 1]" 1
662 1 35 VAL HB 1 36 GLY QA . . 5.600 4.479 3.939 4.769 . 0 0 "[ . 1]" 1
663 1 35 VAL HB 1 37 GLU H . . 4.000 3.274 2.735 4.129 0.129 10 0 "[ . 1]" 1
664 1 35 VAL HB 1 37 GLU QB . . 6.000 3.554 2.646 5.147 . 0 0 "[ . 1]" 1
665 1 35 VAL HB 2 31 LEU QD . . 7.400 4.410 3.794 4.814 . 0 0 "[ . 1]" 1
666 1 35 VAL HB 2 31 LEU HG . . 5.000 5.119 5.024 5.245 0.245 2 0 "[ . 1]" 1
667 1 35 VAL HB 2 35 VAL HA . . 5.000 4.310 3.809 5.210 0.210 10 0 "[ . 1]" 1
668 1 35 VAL HB 2 35 VAL MG1 . . 6.000 2.197 1.670 2.879 . 0 0 "[ . 1]" 1
669 1 35 VAL HB 2 35 VAL MG2 . . 6.000 2.768 1.841 4.661 . 0 0 "[ . 1]" 1
670 1 35 VAL HB 2 37 GLU QB . . 6.000 4.199 2.480 5.392 . 0 0 "[ . 1]" 1
671 1 35 VAL QG 1 36 GLY H . . 7.400 1.904 1.728 2.705 . 0 0 "[ . 1]" 1
672 1 35 VAL QG 2 37 GLU QB . . 8.400 3.656 2.039 4.692 . 0 0 "[ . 1]" 1
673 1 35 VAL QG 2 37 GLU QG . . 8.400 4.005 2.610 5.570 . 0 0 "[ . 1]" 1
674 1 35 VAL MG1 1 36 GLY QA . . 6.600 4.656 2.944 5.051 . 0 0 "[ . 1]" 1
675 1 35 VAL MG1 1 37 GLU H . . 6.000 3.934 1.745 5.013 . 0 0 "[ . 1]" 1
676 1 35 VAL MG1 2 31 LEU HG . . 6.000 3.673 3.097 4.768 . 0 0 "[ . 1]" 1
677 1 35 VAL MG1 2 32 LYS HA . . 6.000 3.591 2.889 5.108 . 0 0 "[ . 1]" 1
678 1 35 VAL MG1 2 35 VAL HA . . 6.000 4.150 2.545 4.876 . 0 0 "[ . 1]" 1
679 1 35 VAL MG1 2 35 VAL HB . . 6.000 2.402 1.718 2.916 . 0 0 "[ . 1]" 1
680 1 35 VAL MG2 1 36 GLY QA . . 6.600 3.485 2.902 5.028 . 0 0 "[ . 1]" 1
681 1 35 VAL MG2 1 37 GLU H . . 6.000 3.126 2.006 4.633 . 0 0 "[ . 1]" 1
682 1 35 VAL MG2 2 31 LEU HG . . 6.000 3.416 2.982 4.108 . 0 0 "[ . 1]" 1
683 1 35 VAL MG2 2 32 LYS HA . . 6.000 4.664 3.502 5.042 . 0 0 "[ . 1]" 1
684 1 35 VAL MG2 2 35 VAL HA . . 6.000 4.487 3.872 4.943 . 0 0 "[ . 1]" 1
685 1 35 VAL MG2 2 35 VAL HB . . 6.000 3.370 1.849 4.299 . 0 0 "[ . 1]" 1
686 1 36 GLY QA 1 37 GLU HA . . 4.600 4.092 3.978 4.301 . 0 0 "[ . 1]" 1
687 1 36 GLY QA 1 37 GLU QB . . 6.200 4.464 4.044 4.702 . 0 0 "[ . 1]" 1
688 1 36 GLY QA 1 37 GLU QG . . 6.600 4.607 4.091 5.436 . 0 0 "[ . 1]" 1
689 1 36 GLY HA2 1 37 GLU H . . 4.000 3.088 2.814 3.644 . 0 0 "[ . 1]" 1
690 1 36 GLY HA3 1 37 GLU H . . 4.000 3.418 2.692 3.634 . 0 0 "[ . 1]" 1
691 1 37 GLU H 1 37 GLU HB2 . . 3.500 2.942 2.068 3.597 0.097 4 0 "[ . 1]" 1
692 1 37 GLU H 1 37 GLU HB3 . . 3.500 2.961 2.452 3.700 0.200 6 0 "[ . 1]" 1
693 1 37 GLU HA 1 38 ARG H . . 3.000 2.996 2.766 3.461 0.461 7 0 "[ . 1]" 1
694 1 37 GLU HA 2 37 GLU HB2 . . 5.000 4.782 4.418 5.102 0.102 9 0 "[ . 1]" 1
695 1 37 GLU HA 2 37 GLU HB3 . . 5.000 4.589 4.034 5.050 0.050 6 0 "[ . 1]" 1
696 1 37 GLU HA 2 37 GLU QG . . 6.000 4.250 2.257 5.409 . 0 0 "[ . 1]" 1
697 1 37 GLU QB 2 35 VAL HB . . 6.000 4.212 2.371 5.408 . 0 0 "[ . 1]" 1
698 1 37 GLU QB 2 35 VAL QG . . 8.400 3.040 1.913 4.700 . 0 0 "[ . 1]" 1
699 1 37 GLU QB 2 37 GLU QB . . 7.000 2.433 1.827 3.583 . 0 0 "[ . 1]" 1
700 1 37 GLU HB2 1 38 ARG H . . 3.500 2.752 1.946 3.620 0.120 7 0 "[ . 1]" 1
701 1 37 GLU HB2 2 37 GLU HA . . 5.000 4.733 3.852 5.066 0.066 8 0 "[ . 1]" 1
702 1 37 GLU HB2 2 37 GLU QG . . 6.000 3.272 1.976 4.422 . 0 0 "[ . 1]" 1
703 1 37 GLU HB3 1 38 ARG H . . 3.500 3.088 1.896 3.687 0.187 8 0 "[ . 1]" 1
704 1 37 GLU HB3 2 37 GLU HA . . 5.000 4.768 4.109 5.049 0.049 3 0 "[ . 1]" 1
705 1 37 GLU HB3 2 37 GLU QG . . 6.000 3.242 1.776 5.462 . 0 0 "[ . 1]" 1
706 1 37 GLU QG 1 38 ARG H . . 6.000 3.550 2.128 4.824 . 0 0 "[ . 1]" 1
707 1 37 GLU QG 2 35 VAL QG . . 8.400 3.275 1.782 4.216 . 0 0 "[ . 1]" 1
708 1 37 GLU QG 2 37 GLU HA . . 6.000 4.063 2.056 5.297 . 0 0 "[ . 1]" 1
709 1 37 GLU QG 2 37 GLU HB2 . . 6.000 3.268 1.976 5.181 . 0 0 "[ . 1]" 1
710 1 37 GLU QG 2 37 GLU HB3 . . 6.000 3.142 1.703 5.255 . 0 0 "[ . 1]" 1
711 1 38 ARG H 1 38 ARG HA . . 3.000 2.552 2.165 2.860 . 0 0 "[ . 1]" 1
712 1 38 ARG H 1 38 ARG HB2 . . 3.500 2.751 2.052 3.480 . 0 0 "[ . 1]" 1
713 1 38 ARG H 1 38 ARG HB3 . . 3.500 3.247 2.879 3.520 0.020 2 0 "[ . 1]" 1
714 2 1 GLY QA 2 2 ALA H . . 5.600 2.452 2.192 2.609 . 0 0 "[ . 1]" 1
715 2 1 GLY QA 2 2 ALA MB . . 6.600 3.745 3.431 4.102 . 0 0 "[ . 1]" 1
716 2 2 ALA MB 2 3 GLY QA . . 6.600 3.748 3.401 3.994 . 0 0 "[ . 1]" 1
717 2 3 GLY H 2 4 SER QB . . 4.600 3.858 3.327 4.182 . 0 0 "[ . 1]" 1
718 2 3 GLY QA 2 4 SER H . . 4.600 2.572 2.205 2.959 . 0 0 "[ . 1]" 1
719 2 4 SER HA 2 5 SER H . . 5.000 2.697 2.216 3.640 . 0 0 "[ . 1]" 1
720 2 4 SER QB 2 5 SER H . . 5.600 2.995 1.929 4.049 . 0 0 "[ . 1]" 1
721 2 5 SER H 2 10 VAL QG . . 7.400 4.876 4.549 5.433 . 0 0 "[ . 1]" 1
722 2 5 SER HA 2 6 SER H . . 4.000 2.941 2.219 3.639 . 0 0 "[ . 1]" 1
723 2 5 SER QB 2 6 SER H . . 5.600 3.096 1.962 4.054 . 0 0 "[ . 1]" 1
724 2 5 SER QB 2 7 LEU QD . . 8.400 4.979 4.645 5.499 . 0 0 "[ . 1]" 1
725 2 6 SER H 2 6 SER HB2 . . 4.000 3.551 2.185 3.982 . 0 0 "[ . 1]" 1
726 2 6 SER H 2 6 SER HB3 . . 4.000 3.833 3.267 4.056 0.056 3 0 "[ . 1]" 1
727 2 6 SER H 2 7 LEU QB . . 5.600 4.770 4.226 5.006 . 0 0 "[ . 1]" 1
728 2 6 SER H 2 9 ALA MB . . 6.000 4.850 4.428 5.022 . 0 0 "[ . 1]" 1
729 2 6 SER HA 2 7 LEU H . . 3.000 2.407 2.216 3.147 0.147 3 0 "[ . 1]" 1
730 2 6 SER HA 2 7 LEU QB . . 5.600 4.250 4.046 4.687 . 0 0 "[ . 1]" 1
731 2 6 SER HA 2 8 GLU H . . 4.000 3.570 3.235 3.760 . 0 0 "[ . 1]" 1
732 2 6 SER HA 2 8 GLU QG . . 6.000 4.552 3.513 5.338 . 0 0 "[ . 1]" 1
733 2 6 SER HA 2 9 ALA H . . 5.000 3.800 2.952 4.357 . 0 0 "[ . 1]" 1
734 2 6 SER QB 2 9 ALA H . . 4.000 2.560 1.899 3.403 . 0 0 "[ . 1]" 1
735 2 6 SER QB 2 10 VAL HB . . 5.000 4.181 3.963 4.345 . 0 0 "[ . 1]" 1
736 2 6 SER QB 2 10 VAL QG . . 8.400 2.815 1.864 4.422 . 0 0 "[ . 1]" 1
737 2 6 SER HB2 2 7 LEU H . . 4.000 4.078 4.043 4.118 0.118 2 0 "[ . 1]" 1
738 2 6 SER HB3 2 7 LEU H . . 4.000 3.922 3.676 4.160 0.160 3 0 "[ . 1]" 1
739 2 7 LEU H 2 8 GLU QB . . 5.600 4.651 4.440 4.926 . 0 0 "[ . 1]" 1
740 2 7 LEU H 2 8 GLU QG . . 6.000 3.954 3.267 5.053 . 0 0 "[ . 1]" 1
741 2 7 LEU H 2 9 ALA H . . 5.000 4.080 3.823 4.437 . 0 0 "[ . 1]" 1
742 2 7 LEU H 2 10 VAL H . . 5.000 4.528 4.426 4.626 . 0 0 "[ . 1]" 1
743 2 7 LEU H 2 11 ARG QB . . 6.000 5.548 5.489 5.653 . 0 0 "[ . 1]" 1
744 2 7 LEU HA 2 10 VAL H . . 3.500 3.527 3.429 3.609 0.109 5 0 "[ . 1]" 1
745 2 7 LEU HA 2 11 ARG H . . 4.000 3.720 3.523 3.850 . 0 0 "[ . 1]" 1
746 2 7 LEU QB 2 8 GLU H . . 4.100 2.984 2.698 3.623 . 0 0 "[ . 1]" 1
747 2 7 LEU QB 2 8 GLU QG . . 6.600 3.737 2.943 4.845 . 0 0 "[ . 1]" 1
748 2 7 LEU QB 2 11 ARG QD . . 7.000 4.921 4.639 5.133 . 0 0 "[ . 1]" 1
749 2 7 LEU QD 2 8 GLU H . . 7.400 3.606 2.963 4.306 . 0 0 "[ . 1]" 1
750 2 7 LEU QD 2 8 GLU QG . . 8.400 3.682 2.168 4.936 . 0 0 "[ . 1]" 1
751 2 7 LEU QD 2 11 ARG H . . 7.400 4.256 3.228 5.148 . 0 0 "[ . 1]" 1
752 2 7 LEU QD 2 11 ARG QD . . 8.400 3.327 2.359 4.810 . 0 0 "[ . 1]" 1
753 2 8 GLU H 2 8 GLU HB2 . . 4.000 2.843 2.182 3.566 . 0 0 "[ . 1]" 1
754 2 8 GLU H 2 8 GLU HB3 . . 4.000 3.225 2.497 3.570 . 0 0 "[ . 1]" 1
755 2 8 GLU H 2 9 ALA H . . 4.000 2.557 2.493 2.747 . 0 0 "[ . 1]" 1
756 2 8 GLU H 2 9 ALA MB . . 6.000 4.117 4.051 4.271 . 0 0 "[ . 1]" 1
757 2 8 GLU H 2 10 VAL H . . 4.000 3.988 3.834 4.100 0.100 1 0 "[ . 1]" 1
758 2 8 GLU HA 2 11 ARG H . . 4.000 3.307 3.194 3.449 . 0 0 "[ . 1]" 1
759 2 8 GLU HA 2 12 ARG H . . 4.000 4.065 4.026 4.146 0.146 10 0 "[ . 1]" 1
760 2 8 GLU QB 2 9 ALA H . . 4.600 2.911 2.519 3.490 . 0 0 "[ . 1]" 1
761 2 8 GLU QG 2 9 ALA H . . 6.000 3.210 1.814 4.326 . 0 0 "[ . 1]" 1
762 2 9 ALA H 2 10 VAL QG . . 7.400 4.056 3.584 4.349 . 0 0 "[ . 1]" 1
763 2 9 ALA HA 2 10 VAL H . . 4.000 3.614 3.598 3.624 . 0 0 "[ . 1]" 1
764 2 9 ALA HA 2 11 ARG H . . 5.000 4.149 4.012 4.369 . 0 0 "[ . 1]" 1
765 2 9 ALA HA 2 12 ARG QD . . 6.000 3.712 2.868 4.312 . 0 0 "[ . 1]" 1
766 2 9 ALA MB 2 10 VAL H . . 5.000 2.616 2.561 2.695 . 0 0 "[ . 1]" 1
767 2 9 ALA MB 2 10 VAL QG . . 8.400 2.941 2.650 3.949 . 0 0 "[ . 1]" 1
768 2 9 ALA MB 2 12 ARG QD . . 7.000 4.478 3.595 5.078 . 0 0 "[ . 1]" 1
769 2 10 VAL H 2 10 VAL HB . . 3.000 2.329 2.073 2.734 . 0 0 "[ . 1]" 1
770 2 10 VAL H 2 11 ARG H . . 4.000 2.478 2.432 2.580 . 0 0 "[ . 1]" 1
771 2 10 VAL H 2 11 ARG QB . . 5.600 4.187 4.133 4.285 . 0 0 "[ . 1]" 1
772 2 10 VAL HA 2 11 ARG H . . 5.000 3.536 3.515 3.585 . 0 0 "[ . 1]" 1
773 2 10 VAL HA 2 13 LYS H . . 4.000 3.170 3.094 3.299 . 0 0 "[ . 1]" 1
774 2 10 VAL HA 2 13 LYS HB2 . . 4.000 2.697 2.520 2.923 . 0 0 "[ . 1]" 1
775 2 10 VAL HA 2 13 LYS HB3 . . 4.000 2.950 2.591 3.284 . 0 0 "[ . 1]" 1
776 2 10 VAL HA 2 13 LYS QG . . 6.000 4.461 4.068 4.817 . 0 0 "[ . 1]" 1
777 2 10 VAL HA 2 14 ILE H . . 5.000 3.738 3.579 3.907 . 0 0 "[ . 1]" 1
778 2 10 VAL HB 2 11 ARG H . . 3.500 3.101 2.934 3.580 0.080 8 0 "[ . 1]" 1
779 2 10 VAL QG 2 11 ARG H . . 7.400 3.284 2.070 3.503 . 0 0 "[ . 1]" 1
780 2 10 VAL QG 2 13 LYS H . . 7.400 4.141 4.056 4.232 . 0 0 "[ . 1]" 1
781 2 10 VAL QG 2 13 LYS QG . . 8.400 4.657 4.243 4.972 . 0 0 "[ . 1]" 1
782 2 10 VAL QG 2 14 ILE H . . 7.400 3.653 3.512 3.829 . 0 0 "[ . 1]" 1
783 2 10 VAL QG 2 14 ILE HA . . 7.400 4.609 4.321 4.923 . 0 0 "[ . 1]" 1
784 2 11 ARG H 2 11 ARG QB . . 3.600 2.149 2.128 2.184 . 0 0 "[ . 1]" 1
785 2 11 ARG H 2 11 ARG QD . . 6.000 4.421 4.297 4.630 . 0 0 "[ . 1]" 1
786 2 11 ARG H 2 11 ARG HG3 . . 5.000 4.451 4.333 4.519 . 0 0 "[ . 1]" 1
787 2 11 ARG H 2 13 LYS H . . 5.000 3.805 3.654 3.966 . 0 0 "[ . 1]" 1
788 2 11 ARG H 2 14 ILE MG . . 6.000 4.045 3.946 4.181 . 0 0 "[ . 1]" 1
789 2 11 ARG HA 2 13 LYS H . . 5.000 4.249 4.021 4.460 . 0 0 "[ . 1]" 1
790 2 11 ARG HA 2 14 ILE H . . 4.000 3.465 3.384 3.550 . 0 0 "[ . 1]" 1
791 2 11 ARG HA 2 14 ILE HB . . 3.500 3.610 3.527 3.665 0.165 4 0 "[ . 1]" 1
792 2 11 ARG HA 2 14 ILE MD . . 6.000 4.802 4.584 4.931 . 0 0 "[ . 1]" 1
793 2 11 ARG QB 2 12 ARG H . . 3.600 2.743 2.450 2.876 . 0 0 "[ . 1]" 1
794 2 11 ARG QG 2 12 ARG H . . 6.000 3.308 2.981 3.558 . 0 0 "[ . 1]" 1
795 2 12 ARG H 2 12 ARG QD . . 6.000 4.222 4.028 4.339 . 0 0 "[ . 1]" 1
796 2 12 ARG H 2 13 LYS H . . 3.500 2.423 2.363 2.592 . 0 0 "[ . 1]" 1
797 2 12 ARG H 2 14 ILE MG . . 6.000 4.063 3.949 4.336 . 0 0 "[ . 1]" 1
798 2 12 ARG H 2 15 ARG H . . 5.000 4.662 4.556 4.724 . 0 0 "[ . 1]" 1
799 2 12 ARG HA 2 13 LYS H . . 3.500 3.545 3.510 3.587 0.087 7 0 "[ . 1]" 1
800 2 12 ARG HA 2 15 ARG H . . 4.000 3.503 3.369 3.650 . 0 0 "[ . 1]" 1
801 2 12 ARG HA 2 16 SER H . . 3.500 3.613 3.555 3.778 0.278 5 0 "[ . 1]" 1
802 2 12 ARG QD 2 13 LYS H . . 6.000 4.137 3.694 4.464 . 0 0 "[ . 1]" 1
803 2 12 ARG QD 2 13 LYS QG . . 7.000 4.487 3.341 5.271 . 0 0 "[ . 1]" 1
804 2 12 ARG QD 2 16 SER QB . . 7.000 4.243 3.212 5.122 . 0 0 "[ . 1]" 1
805 2 12 ARG QG 2 13 LYS H . . 6.000 3.343 2.095 4.235 . 0 0 "[ . 1]" 1
806 2 12 ARG QG 2 13 LYS HA . . 6.000 3.751 3.105 4.289 . 0 0 "[ . 1]" 1
807 2 12 ARG QG 2 16 SER QB . . 7.000 3.782 2.991 4.422 . 0 0 "[ . 1]" 1
808 2 13 LYS H 2 13 LYS HB2 . . 3.500 2.146 2.072 2.283 . 0 0 "[ . 1]" 1
809 2 13 LYS H 2 13 LYS QB . . 3.600 2.096 2.045 2.181 . 0 0 "[ . 1]" 1
810 2 13 LYS H 2 13 LYS QD . . 6.000 4.083 3.415 4.633 . 0 0 "[ . 1]" 1
811 2 13 LYS H 2 14 ILE H . . 5.000 2.431 2.375 2.497 . 0 0 "[ . 1]" 1
812 2 13 LYS H 2 14 ILE MG . . 6.000 3.807 3.679 3.924 . 0 0 "[ . 1]" 1
813 2 13 LYS HA 2 13 LYS QE . . 6.000 3.731 2.252 4.357 . 0 0 "[ . 1]" 1
814 2 13 LYS HA 2 15 ARG H . . 5.000 4.680 4.509 4.843 . 0 0 "[ . 1]" 1
815 2 13 LYS HA 2 16 SER H . . 5.000 3.547 3.389 3.730 . 0 0 "[ . 1]" 1
816 2 13 LYS HA 2 17 LEU QD . . 7.400 3.446 2.871 4.050 . 0 0 "[ . 1]" 1
817 2 13 LYS HA 2 17 LEU HG . . 5.000 3.730 3.111 4.401 . 0 0 "[ . 1]" 1
818 2 13 LYS QB 2 14 ILE HA . . 5.600 3.940 3.907 3.993 . 0 0 "[ . 1]" 1
819 2 13 LYS HB2 2 14 ILE H . . 4.000 3.545 3.389 3.671 . 0 0 "[ . 1]" 1
820 2 13 LYS HB3 2 14 ILE H . . 4.000 2.997 2.738 3.228 . 0 0 "[ . 1]" 1
821 2 13 LYS QE 2 16 SER QB . . 7.000 4.935 3.332 5.622 . 0 0 "[ . 1]" 1
822 2 13 LYS QG 2 14 ILE H . . 6.000 4.447 4.171 4.646 . 0 0 "[ . 1]" 1
823 2 13 LYS QG 2 14 ILE HA . . 6.000 4.942 4.420 5.447 . 0 0 "[ . 1]" 1
824 2 13 LYS QG 2 17 LEU H . . 6.000 4.422 4.056 5.134 . 0 0 "[ . 1]" 1
825 2 14 ILE H 2 14 ILE HB . . 3.500 2.349 2.311 2.405 . 0 0 "[ . 1]" 1
826 2 14 ILE H 2 15 ARG H . . 3.500 2.609 2.549 2.674 . 0 0 "[ . 1]" 1
827 2 14 ILE H 2 16 SER H . . 4.000 4.001 3.904 4.098 0.098 5 0 "[ . 1]" 1
828 2 14 ILE HA 2 15 ARG H . . 5.000 3.620 3.605 3.632 . 0 0 "[ . 1]" 1
829 2 14 ILE HA 2 16 SER H . . 5.000 4.585 4.438 4.752 . 0 0 "[ . 1]" 1
830 2 14 ILE HA 2 17 LEU H . . 4.000 3.629 3.479 3.778 . 0 0 "[ . 1]" 1
831 2 14 ILE HA 2 17 LEU HB2 . . 5.000 2.725 2.568 2.842 . 0 0 "[ . 1]" 1
832 2 14 ILE HA 2 17 LEU HB3 . . 5.000 4.311 4.071 4.465 . 0 0 "[ . 1]" 1
833 2 14 ILE HA 2 17 LEU QD . . 7.400 3.364 2.438 4.131 . 0 0 "[ . 1]" 1
834 2 14 ILE HA 2 17 LEU HG . . 5.000 4.030 3.639 4.356 . 0 0 "[ . 1]" 1
835 2 14 ILE HA 2 18 GLN H . . 5.000 3.933 3.767 4.063 . 0 0 "[ . 1]" 1
836 2 14 ILE HB 2 15 ARG H . . 4.000 3.765 3.685 3.848 . 0 0 "[ . 1]" 1
837 2 14 ILE MD 2 15 ARG H . . 6.000 3.338 3.172 3.541 . 0 0 "[ . 1]" 1
838 2 14 ILE MD 2 15 ARG HA . . 6.000 2.956 2.842 3.155 . 0 0 "[ . 1]" 1
839 2 14 ILE MD 2 16 SER H . . 6.000 4.913 4.842 5.002 . 0 0 "[ . 1]" 1
840 2 14 ILE MD 2 18 GLN QG . . 7.000 3.607 2.924 4.360 . 0 0 "[ . 1]" 1
841 2 14 ILE QG 2 15 ARG H . . 6.000 4.393 4.309 4.478 . 0 0 "[ . 1]" 1
842 2 14 ILE QG 2 17 LEU QB . . 7.000 4.196 4.059 4.375 . 0 0 "[ . 1]" 1
843 2 14 ILE MG 2 15 ARG H . . 6.000 1.907 1.793 2.007 . 0 0 "[ . 1]" 1
844 2 14 ILE MG 2 16 SER H . . 6.000 4.142 4.020 4.252 . 0 0 "[ . 1]" 1
845 2 14 ILE MG 2 18 GLN H . . 6.000 4.789 4.697 4.893 . 0 0 "[ . 1]" 1
846 2 14 ILE MG 2 18 GLN HE21 . . 6.000 4.584 4.434 4.740 . 0 0 "[ . 1]" 1
847 2 14 ILE MG 2 18 GLN QE . . 7.000 4.341 4.232 4.514 . 0 0 "[ . 1]" 1
848 2 15 ARG H 2 15 ARG QB . . 3.600 2.121 2.035 2.267 . 0 0 "[ . 1]" 1
849 2 15 ARG H 2 15 ARG QD . . 6.000 4.215 3.705 4.591 . 0 0 "[ . 1]" 1
850 2 15 ARG H 2 16 SER H . . 5.000 2.701 2.560 2.813 . 0 0 "[ . 1]" 1
851 2 15 ARG H 2 18 GLN H . . 5.000 4.559 4.490 4.612 . 0 0 "[ . 1]" 1
852 2 15 ARG HA 2 16 SER H . . 5.000 3.618 3.600 3.636 . 0 0 "[ . 1]" 1
853 2 15 ARG HA 2 18 GLN H . . 4.000 3.447 3.343 3.558 . 0 0 "[ . 1]" 1
854 2 15 ARG HA 2 18 GLN QB . . 5.000 2.507 2.369 2.597 . 0 0 "[ . 1]" 1
855 2 15 ARG HA 2 18 GLN HE21 . . 5.000 2.977 2.553 3.235 . 0 0 "[ . 1]" 1
856 2 15 ARG HA 2 18 GLN HE22 . . 5.000 3.932 3.601 4.392 . 0 0 "[ . 1]" 1
857 2 15 ARG QB 2 16 SER H . . 4.100 2.609 2.346 3.422 . 0 0 "[ . 1]" 1
858 2 15 ARG QB 2 19 GLU QG . . 7.000 4.442 4.119 4.780 . 0 0 "[ . 1]" 1
859 2 15 ARG QD 2 16 SER H . . 6.000 4.611 3.858 5.214 . 0 0 "[ . 1]" 1
860 2 15 ARG QG 2 19 GLU H . . 6.000 4.514 4.174 5.056 . 0 0 "[ . 1]" 1
861 2 15 ARG QG 2 19 GLU QG . . 7.000 3.468 2.927 4.233 . 0 0 "[ . 1]" 1
862 2 16 SER H 2 17 LEU H . . 4.000 2.766 2.673 2.822 . 0 0 "[ . 1]" 1
863 2 16 SER H 2 17 LEU QB . . 5.600 4.588 4.536 4.645 . 0 0 "[ . 1]" 1
864 2 16 SER H 2 18 GLN H . . 4.000 3.974 3.865 4.051 0.051 6 0 "[ . 1]" 1
865 2 16 SER HA 2 17 LEU H . . 5.000 3.634 3.621 3.643 . 0 0 "[ . 1]" 1
866 2 16 SER HA 2 18 GLN H . . 5.000 4.311 4.184 4.363 . 0 0 "[ . 1]" 1
867 2 16 SER HA 2 19 GLU QB . . 5.000 3.010 2.856 3.192 . 0 0 "[ . 1]" 1
868 2 16 SER HA 2 19 GLU QG . . 6.000 3.432 2.811 3.701 . 0 0 "[ . 1]" 1
869 2 16 SER HA 2 20 GLN H . . 5.000 4.367 4.211 4.496 . 0 0 "[ . 1]" 1
870 2 16 SER QB 2 17 LEU H . . 4.100 2.444 2.363 2.550 . 0 0 "[ . 1]" 1
871 2 16 SER QB 2 17 LEU HG . . 5.600 3.787 3.240 4.522 . 0 0 "[ . 1]" 1
872 2 16 SER QB 2 18 GLN H . . 6.000 4.545 4.442 4.604 . 0 0 "[ . 1]" 1
873 2 17 LEU H 2 17 LEU HG . . 5.000 2.711 2.308 3.326 . 0 0 "[ . 1]" 1
874 2 17 LEU H 2 18 GLN H . . 3.500 2.708 2.660 2.745 . 0 0 "[ . 1]" 1
875 2 17 LEU HA 2 18 GLN H . . 4.000 3.591 3.576 3.598 . 0 0 "[ . 1]" 1
876 2 17 LEU HA 2 20 GLN H . . 5.000 3.304 3.205 3.424 . 0 0 "[ . 1]" 1
877 2 17 LEU HA 2 20 GLN QB . . 4.500 2.396 2.268 2.583 . 0 0 "[ . 1]" 1
878 2 17 LEU HA 2 21 ASN H . . 4.000 4.039 3.991 4.097 0.097 4 0 "[ . 1]" 1
879 2 17 LEU HA 2 21 ASN QB . . 6.000 5.174 5.104 5.229 . 0 0 "[ . 1]" 1
880 2 17 LEU HA 2 21 ASN QD . . 6.000 3.639 3.271 4.062 . 0 0 "[ . 1]" 1
881 2 17 LEU QB 2 21 ASN H . . 6.000 4.530 4.462 4.632 . 0 0 "[ . 1]" 1
882 2 17 LEU HB2 2 18 GLN H . . 5.000 2.841 2.770 2.895 . 0 0 "[ . 1]" 1
883 2 17 LEU HB2 2 21 ASN QD . . 6.000 4.290 3.712 4.983 . 0 0 "[ . 1]" 1
884 2 17 LEU HB3 2 18 GLN H . . 5.000 3.665 3.572 3.781 . 0 0 "[ . 1]" 1
885 2 17 LEU HB3 2 21 ASN QD . . 6.000 2.966 2.420 3.609 . 0 0 "[ . 1]" 1
886 2 17 LEU QD 2 18 GLN H . . 7.400 4.103 3.931 4.249 . 0 0 "[ . 1]" 1
887 2 17 LEU QD 2 20 GLN QE . . 8.400 3.769 3.544 4.383 . 0 0 "[ . 1]" 1
888 2 17 LEU QD 2 21 ASN HD21 . . 7.400 3.964 3.642 4.288 . 0 0 "[ . 1]" 1
889 2 17 LEU QD 2 21 ASN HD22 . . 7.400 3.600 3.096 4.118 . 0 0 "[ . 1]" 1
890 2 18 GLN H 2 18 GLN HB3 . . 4.000 2.617 2.404 2.970 . 0 0 "[ . 1]" 1
891 2 18 GLN H 2 18 GLN HG2 . . 5.000 4.356 4.199 4.531 . 0 0 "[ . 1]" 1
892 2 18 GLN H 2 18 GLN HG3 . . 5.000 4.354 4.032 4.509 . 0 0 "[ . 1]" 1
893 2 18 GLN H 2 19 GLU H . . 3.500 2.837 2.766 2.920 . 0 0 "[ . 1]" 1
894 2 18 GLN HA 2 21 ASN HB2 . . 5.000 2.346 2.214 2.465 . 0 0 "[ . 1]" 1
895 2 18 GLN HA 2 21 ASN HB3 . . 5.000 3.867 3.705 4.003 . 0 0 "[ . 1]" 1
896 2 18 GLN QB 2 19 GLU H . . 4.100 2.454 2.281 2.574 . 0 0 "[ . 1]" 1
897 2 18 GLN QE 2 19 GLU QG . . 7.000 4.264 3.904 4.487 . 0 0 "[ . 1]" 1
898 2 18 GLN QE 2 19 GLU HG3 . . 6.000 4.676 4.288 4.984 . 0 0 "[ . 1]" 1
899 2 18 GLN HE21 2 19 GLU QG . . 6.000 4.823 4.012 5.213 . 0 0 "[ . 1]" 1
900 2 18 GLN HE22 2 19 GLU QG . . 6.000 4.904 4.597 5.405 . 0 0 "[ . 1]" 1
901 2 18 GLN QG 2 19 GLU QG . . 7.000 4.351 3.592 4.949 . 0 0 "[ . 1]" 1
902 2 18 GLN QG 2 21 ASN QB . . 7.000 3.337 3.144 3.525 . 0 0 "[ . 1]" 1
903 2 19 GLU H 2 19 GLU HG2 . . 5.000 3.227 2.873 3.527 . 0 0 "[ . 1]" 1
904 2 19 GLU H 2 19 GLU HG3 . . 5.000 2.425 2.291 2.775 . 0 0 "[ . 1]" 1
905 2 19 GLU HA 2 20 GLN H . . 5.000 3.604 3.595 3.612 . 0 0 "[ . 1]" 1
906 2 19 GLU HA 2 22 TYR CG . . 7.200 5.024 4.648 5.196 . 0 0 "[ . 1]" 1
907 2 19 GLU HA 2 22 TYR H . . 4.000 3.495 3.415 3.536 . 0 0 "[ . 1]" 1
908 2 19 GLU HA 2 22 TYR QB . . 6.000 3.018 2.850 3.127 . 0 0 "[ . 1]" 1
909 2 19 GLU QB 2 22 TYR QB . . 7.000 4.539 4.371 4.664 . 0 0 "[ . 1]" 1
910 2 19 GLU QG 2 22 TYR QB . . 7.000 4.508 4.298 4.677 . 0 0 "[ . 1]" 1
911 2 20 GLN H 2 20 GLN HG2 . . 5.000 4.207 4.034 4.338 . 0 0 "[ . 1]" 1
912 2 20 GLN H 2 20 GLN HG3 . . 5.000 4.430 4.408 4.461 . 0 0 "[ . 1]" 1
913 2 20 GLN H 2 21 ASN H . . 3.500 2.577 2.519 2.667 . 0 0 "[ . 1]" 1
914 2 20 GLN H 2 23 HIS H . . 5.000 4.500 4.466 4.537 . 0 0 "[ . 1]" 1
915 2 20 GLN HA 2 21 ASN H . . 4.000 3.563 3.537 3.596 . 0 0 "[ . 1]" 1
916 2 20 GLN HA 2 21 ASN QD . . 6.000 5.075 4.927 5.223 . 0 0 "[ . 1]" 1
917 2 20 GLN HA 2 23 HIS H . . 4.000 3.053 2.991 3.172 . 0 0 "[ . 1]" 1
918 2 20 GLN HA 2 23 HIS QB . . 5.000 2.035 1.914 2.221 . 0 0 "[ . 1]" 1
919 2 20 GLN QB 2 21 ASN H . . 5.600 2.923 2.730 3.010 . 0 0 "[ . 1]" 1
920 2 20 GLN QB 2 21 ASN HD21 . . 5.600 3.501 3.422 3.590 . 0 0 "[ . 1]" 1
921 2 20 GLN QB 2 21 ASN HD22 . . 5.600 4.684 4.652 4.717 . 0 0 "[ . 1]" 1
922 2 20 GLN QB 2 22 TYR H . . 6.000 5.034 4.843 5.187 . 0 0 "[ . 1]" 1
923 2 20 GLN HB3 2 21 ASN H . . 4.000 2.982 2.774 3.077 . 0 0 "[ . 1]" 1
924 2 20 GLN HE21 2 24 LEU MD2 . . 6.000 3.077 1.862 4.908 . 0 0 "[ . 1]" 1
925 2 20 GLN HE22 2 24 LEU MD1 . . 6.000 3.717 2.844 4.489 . 0 0 "[ . 1]" 1
926 2 20 GLN QG 2 21 ASN H . . 6.000 3.450 3.159 3.698 . 0 0 "[ . 1]" 1
927 2 20 GLN QG 2 21 ASN HA . . 6.000 3.295 3.073 3.503 . 0 0 "[ . 1]" 1
928 2 20 GLN QG 2 24 LEU HB2 . . 6.000 3.109 2.633 3.550 . 0 0 "[ . 1]" 1
929 2 20 GLN QG 2 24 LEU HB3 . . 6.000 4.334 4.043 4.675 . 0 0 "[ . 1]" 1
930 2 20 GLN QG 2 24 LEU QD . . 8.400 1.812 1.597 2.396 . 0 0 "[ . 1]" 1
931 2 20 GLN HG2 2 21 ASN QD . . 6.000 3.355 2.862 3.815 . 0 0 "[ . 1]" 1
932 2 20 GLN HG2 2 23 HIS H . . 5.000 5.143 5.058 5.195 0.195 8 0 "[ . 1]" 1
933 2 20 GLN HG2 2 23 HIS QB . . 6.000 4.651 4.360 4.938 . 0 0 "[ . 1]" 1
934 2 20 GLN HG3 2 21 ASN H . . 5.000 4.406 4.143 4.666 . 0 0 "[ . 1]" 1
935 2 20 GLN HG3 2 21 ASN QD . . 6.000 4.763 4.249 5.211 . 0 0 "[ . 1]" 1
936 2 20 GLN HG3 2 23 HIS H . . 5.000 4.668 4.492 4.837 . 0 0 "[ . 1]" 1
937 2 20 GLN HG3 2 23 HIS QB . . 6.000 3.533 3.229 3.825 . 0 0 "[ . 1]" 1
938 2 21 ASN H 2 21 ASN HB2 . . 4.000 2.127 2.095 2.165 . 0 0 "[ . 1]" 1
939 2 21 ASN H 2 21 ASN HB3 . . 4.000 3.430 3.401 3.459 . 0 0 "[ . 1]" 1
940 2 21 ASN H 2 21 ASN HD21 . . 5.000 2.350 2.122 2.569 . 0 0 "[ . 1]" 1
941 2 21 ASN H 2 21 ASN HD22 . . 5.000 3.946 3.770 4.112 . 0 0 "[ . 1]" 1
942 2 21 ASN H 2 22 TYR H . . 3.500 2.703 2.660 2.739 . 0 0 "[ . 1]" 1
943 2 21 ASN H 2 22 TYR QB . . 5.600 4.254 4.190 4.301 . 0 0 "[ . 1]" 1
944 2 21 ASN HA 2 22 TYR H . . 4.000 3.630 3.618 3.646 . 0 0 "[ . 1]" 1
945 2 21 ASN HA 2 24 LEU H . . 4.000 3.627 3.471 3.729 . 0 0 "[ . 1]" 1
946 2 21 ASN HA 2 24 LEU HB2 . . 5.000 3.234 2.928 3.499 . 0 0 "[ . 1]" 1
947 2 21 ASN HA 2 24 LEU HB3 . . 5.000 4.616 4.159 4.997 . 0 0 "[ . 1]" 1
948 2 21 ASN HA 2 24 LEU QD . . 7.400 3.622 3.235 4.118 . 0 0 "[ . 1]" 1
949 2 21 ASN QB 2 22 TYR QB . . 6.200 3.647 3.518 3.873 . 0 0 "[ . 1]" 1
950 2 21 ASN HB2 2 22 TYR H . . 4.000 2.718 2.570 2.837 . 0 0 "[ . 1]" 1
951 2 21 ASN HB2 2 23 HIS H . . 5.000 4.769 4.669 4.847 . 0 0 "[ . 1]" 1
952 2 21 ASN HB3 2 22 TYR H . . 4.000 3.122 3.011 3.200 . 0 0 "[ . 1]" 1
953 2 21 ASN HB3 2 23 HIS H . . 5.000 5.041 4.974 5.100 0.100 1 0 "[ . 1]" 1
954 2 21 ASN QD 2 24 LEU QD . . 8.400 4.288 3.538 5.173 . 0 0 "[ . 1]" 1
955 2 22 TYR CZ 2 26 ASN QD . . 8.200 4.209 2.770 5.773 . 0 0 "[ . 1]" 1
956 2 22 TYR H 2 23 HIS H . . 3.500 2.460 2.414 2.545 . 0 0 "[ . 1]" 1
957 2 22 TYR H 2 23 HIS QB . . 5.600 4.162 4.077 4.349 . 0 0 "[ . 1]" 1
958 2 22 TYR HA 2 23 HIS H . . 4.000 3.524 3.513 3.535 . 0 0 "[ . 1]" 1
959 2 22 TYR HA 2 25 GLU H . . 4.000 3.255 3.209 3.348 . 0 0 "[ . 1]" 1
960 2 22 TYR HA 2 25 GLU HB2 . . 4.000 3.427 3.243 3.618 . 0 0 "[ . 1]" 1
961 2 22 TYR HA 2 25 GLU HB3 . . 4.000 2.082 1.966 2.236 . 0 0 "[ . 1]" 1
962 2 22 TYR HA 2 25 GLU QG . . 6.000 3.940 3.759 4.127 . 0 0 "[ . 1]" 1
963 2 22 TYR HA 2 26 ASN H . . 4.000 3.612 3.485 3.815 . 0 0 "[ . 1]" 1
964 2 22 TYR HA 2 26 ASN QD . . 6.000 3.879 3.479 4.493 . 0 0 "[ . 1]" 1
965 2 22 TYR QB 2 23 HIS H . . 5.600 2.880 2.829 2.938 . 0 0 "[ . 1]" 1
966 2 22 TYR QB 2 23 HIS HA . . 5.600 3.838 3.771 3.998 . 0 0 "[ . 1]" 1
967 2 23 HIS H 2 23 HIS HD2 . . 5.000 4.575 3.599 5.046 0.046 6 0 "[ . 1]" 1
968 2 23 HIS H 2 24 LEU H . . 4.000 2.462 2.378 2.507 . 0 0 "[ . 1]" 1
969 2 23 HIS H 2 25 GLU H . . 4.000 3.619 3.533 3.762 . 0 0 "[ . 1]" 1
970 2 23 HIS HA 2 24 LEU H . . 4.000 3.599 3.570 3.612 . 0 0 "[ . 1]" 1
971 2 23 HIS HA 2 24 LEU HA . . 4.000 4.677 4.668 4.689 0.689 8 10 [**-****+**] 1
972 2 23 HIS HA 2 26 ASN H . . 4.000 3.632 3.455 3.719 . 0 0 "[ . 1]" 1
973 2 23 HIS HA 2 26 ASN HB2 . . 5.000 3.315 2.837 5.149 0.149 7 0 "[ . 1]" 1
974 2 23 HIS HA 2 26 ASN HB3 . . 5.000 4.683 3.883 4.984 . 0 0 "[ . 1]" 1
975 2 23 HIS HA 2 26 ASN HD21 . . 5.000 3.207 1.934 3.649 . 0 0 "[ . 1]" 1
976 2 23 HIS HA 2 26 ASN HD22 . . 5.000 4.543 2.110 5.009 0.009 3 0 "[ . 1]" 1
977 2 23 HIS HA 2 27 GLU H . . 5.000 3.950 3.737 4.113 . 0 0 "[ . 1]" 1
978 2 23 HIS QB 2 24 LEU H . . 5.600 2.734 2.599 2.900 . 0 0 "[ . 1]" 1
979 2 23 HIS QB 2 24 LEU HA . . 5.600 4.084 3.868 4.394 . 0 0 "[ . 1]" 1
980 2 23 HIS QB 2 24 LEU QD . . 8.000 3.013 2.049 4.468 . 0 0 "[ . 1]" 1
981 2 23 HIS QB 2 25 GLU H . . 6.000 4.554 4.434 4.669 . 0 0 "[ . 1]" 1
982 2 23 HIS QB 2 26 ASN QB . . 7.000 4.998 4.674 5.462 . 0 0 "[ . 1]" 1
983 2 24 LEU H 2 24 LEU HG . . 5.000 3.770 2.893 4.248 . 0 0 "[ . 1]" 1
984 2 24 LEU H 2 25 GLU H . . 3.500 2.360 2.332 2.418 . 0 0 "[ . 1]" 1
985 2 24 LEU H 2 25 GLU HA . . 5.000 4.913 4.882 4.966 . 0 0 "[ . 1]" 1
986 2 24 LEU H 2 27 GLU QB . . 6.000 4.301 4.174 4.443 . 0 0 "[ . 1]" 1
987 2 24 LEU HA 2 25 GLU H . . 3.500 3.546 3.523 3.583 0.083 6 0 "[ . 1]" 1
988 2 24 LEU HA 2 27 GLU H . . 4.000 3.209 3.121 3.339 . 0 0 "[ . 1]" 1
989 2 24 LEU HA 2 27 GLU QG . . 6.000 3.693 3.475 4.127 . 0 0 "[ . 1]" 1
990 2 24 LEU HA 2 28 VAL H . . 5.000 3.468 3.003 3.797 . 0 0 "[ . 1]" 1
991 2 24 LEU QB 2 25 GLU H . . 4.600 2.955 2.799 3.030 . 0 0 "[ . 1]" 1
992 2 24 LEU QD 2 25 GLU H . . 7.400 4.049 3.774 4.310 . 0 0 "[ . 1]" 1
993 2 24 LEU QD 2 27 GLU H . . 7.400 4.678 4.402 5.093 . 0 0 "[ . 1]" 1
994 2 25 GLU H 2 25 GLU HB2 . . 4.000 2.727 2.669 2.833 . 0 0 "[ . 1]" 1
995 2 25 GLU H 2 25 GLU HB3 . . 4.000 2.274 2.214 2.325 . 0 0 "[ . 1]" 1
996 2 25 GLU H 2 25 GLU HG3 . . 5.000 4.502 4.486 4.518 . 0 0 "[ . 1]" 1
997 2 25 GLU H 2 26 ASN H . . 3.500 2.610 2.511 2.743 . 0 0 "[ . 1]" 1
998 2 25 GLU H 2 26 ASN QB . . 5.600 4.544 4.416 4.668 . 0 0 "[ . 1]" 1
999 2 25 GLU H 2 27 GLU H . . 4.000 3.736 3.666 3.829 . 0 0 "[ . 1]" 1
1000 2 25 GLU H 2 27 GLU QB . . 5.000 4.510 4.419 4.625 . 0 0 "[ . 1]" 1
1001 2 25 GLU HA 2 26 ASN H . . 5.000 3.609 3.582 3.617 . 0 0 "[ . 1]" 1
1002 2 25 GLU HA 2 26 ASN HA . . 4.000 4.683 4.667 4.700 0.700 6 10 [**-**+****] 1
1003 2 25 GLU HA 2 28 VAL H . . 5.000 3.726 3.558 4.048 . 0 0 "[ . 1]" 1
1004 2 25 GLU HA 2 29 ALA H . . 5.000 3.864 3.585 4.004 . 0 0 "[ . 1]" 1
1005 2 25 GLU HB2 2 26 ASN H . . 4.000 4.050 4.017 4.106 0.106 8 0 "[ . 1]" 1
1006 2 25 GLU HB3 2 26 ASN H . . 4.000 2.724 2.669 2.845 . 0 0 "[ . 1]" 1
1007 2 25 GLU QG 2 26 ASN H . . 6.000 3.294 3.120 3.540 . 0 0 "[ . 1]" 1
1008 2 25 GLU QG 2 26 ASN HA . . 6.000 3.193 3.062 3.366 . 0 0 "[ . 1]" 1
1009 2 25 GLU QG 2 26 ASN QB . . 6.600 4.436 3.820 4.682 . 0 0 "[ . 1]" 1
1010 2 25 GLU QG 2 28 VAL QG . . 8.400 3.442 3.141 3.700 . 0 0 "[ . 1]" 1
1011 2 25 GLU QG 2 29 ALA H . . 6.000 4.223 4.118 4.271 . 0 0 "[ . 1]" 1
1012 2 25 GLU QG 2 29 ALA HA . . 6.000 5.479 5.421 5.529 . 0 0 "[ . 1]" 1
1013 2 26 ASN H 2 26 ASN HB2 . . 3.500 2.435 2.264 3.506 0.006 7 0 "[ . 1]" 1
1014 2 26 ASN H 2 26 ASN HB3 . . 3.500 3.404 2.245 3.554 0.054 9 0 "[ . 1]" 1
1015 2 26 ASN H 2 27 GLU H . . 5.000 2.397 2.347 2.449 . 0 0 "[ . 1]" 1
1016 2 26 ASN H 2 27 GLU QB . . 4.600 4.137 4.091 4.182 . 0 0 "[ . 1]" 1
1017 2 26 ASN HA 2 27 GLU H . . 5.000 3.570 3.553 3.604 . 0 0 "[ . 1]" 1
1018 2 26 ASN HA 2 29 ALA H . . 5.000 3.609 3.471 3.858 . 0 0 "[ . 1]" 1
1019 2 26 ASN HA 2 30 ARG H . . 5.000 3.716 3.407 3.925 . 0 0 "[ . 1]" 1
1020 2 26 ASN QB 2 27 GLU H . . 5.600 2.834 2.727 3.374 . 0 0 "[ . 1]" 1
1021 2 26 ASN QB 2 29 ALA MB . . 7.000 4.072 3.944 4.217 . 0 0 "[ . 1]" 1
1022 2 26 ASN QB 2 30 ARG QD . . 7.000 4.842 3.654 5.328 . 0 0 "[ . 1]" 1
1023 2 26 ASN HB2 2 27 GLU H . . 5.000 2.977 2.797 4.064 . 0 0 "[ . 1]" 1
1024 2 26 ASN HB2 2 27 GLU HA . . 5.000 4.352 4.169 4.883 . 0 0 "[ . 1]" 1
1025 2 26 ASN HB2 2 27 GLU QB . . 5.600 4.276 4.090 5.368 . 0 0 "[ . 1]" 1
1026 2 26 ASN HB2 2 30 ARG QB . . 6.000 5.133 4.124 5.427 . 0 0 "[ . 1]" 1
1027 2 26 ASN HB3 2 27 GLU HA . . 5.000 4.377 4.187 5.361 0.361 7 0 "[ . 1]" 1
1028 2 26 ASN HB3 2 27 GLU QB . . 5.600 4.943 4.809 5.117 . 0 0 "[ . 1]" 1
1029 2 26 ASN HB3 2 30 ARG QB . . 6.000 4.249 3.782 5.390 . 0 0 "[ . 1]" 1
1030 2 27 GLU H 2 27 GLU HB2 . . 4.000 2.565 2.403 2.671 . 0 0 "[ . 1]" 1
1031 2 27 GLU H 2 27 GLU HB3 . . 4.000 2.411 2.308 2.584 . 0 0 "[ . 1]" 1
1032 2 27 GLU H 2 28 VAL QG . . 7.400 3.932 3.431 4.258 . 0 0 "[ . 1]" 1
1033 2 27 GLU H 2 29 ALA H . . 5.000 4.102 3.978 4.214 . 0 0 "[ . 1]" 1
1034 2 27 GLU HA 2 29 ALA H . . 5.000 4.734 4.587 4.849 . 0 0 "[ . 1]" 1
1035 2 27 GLU HA 2 30 ARG H . . 5.000 3.765 3.643 3.882 . 0 0 "[ . 1]" 1
1036 2 27 GLU HA 2 30 ARG QB . . 5.000 3.096 2.785 3.804 . 0 0 "[ . 1]" 1
1037 2 27 GLU HA 2 30 ARG HD2 . . 5.000 4.499 3.162 4.969 . 0 0 "[ . 1]" 1
1038 2 27 GLU HA 2 30 ARG HD3 . . 5.000 4.478 3.977 4.743 . 0 0 "[ . 1]" 1
1039 2 27 GLU HA 2 30 ARG QG . . 6.000 4.831 1.942 5.329 . 0 0 "[ . 1]" 1
1040 2 27 GLU HA 2 31 LEU H . . 5.000 4.167 4.019 4.340 . 0 0 "[ . 1]" 1
1041 2 27 GLU HA 2 31 LEU QD . . 7.400 4.938 4.635 5.188 . 0 0 "[ . 1]" 1
1042 2 27 GLU QB 2 28 VAL QG . . 8.000 3.716 2.722 4.190 . 0 0 "[ . 1]" 1
1043 2 27 GLU QG 2 28 VAL H . . 6.000 3.472 3.014 4.310 . 0 0 "[ . 1]" 1
1044 2 27 GLU QG 2 28 VAL HA . . 6.000 3.604 3.300 4.719 . 0 0 "[ . 1]" 1
1045 2 28 VAL H 2 29 ALA H . . 3.500 2.713 2.574 2.868 . 0 0 "[ . 1]" 1
1046 2 28 VAL H 2 29 ALA MB . . 6.000 4.235 4.093 4.411 . 0 0 "[ . 1]" 1
1047 2 28 VAL H 2 32 LYS QE . . 6.000 5.004 4.331 5.416 . 0 0 "[ . 1]" 1
1048 2 28 VAL HA 2 29 ALA H . . 5.000 3.625 3.614 3.635 . 0 0 "[ . 1]" 1
1049 2 28 VAL HA 2 29 ALA HA . . 5.000 4.851 4.814 4.895 . 0 0 "[ . 1]" 1
1050 2 28 VAL HA 2 31 LEU H . . 5.000 3.180 3.081 3.437 . 0 0 "[ . 1]" 1
1051 2 28 VAL HA 2 31 LEU QD . . 7.400 2.670 2.036 3.146 . 0 0 "[ . 1]" 1
1052 2 28 VAL HA 2 31 LEU HG . . 5.000 4.231 3.970 4.413 . 0 0 "[ . 1]" 1
1053 2 28 VAL HA 2 32 LYS H . . 5.000 3.897 3.640 4.124 . 0 0 "[ . 1]" 1
1054 2 28 VAL HB 2 29 ALA H . . 3.500 3.634 3.535 3.748 0.248 6 0 "[ . 1]" 1
1055 2 28 VAL QG 2 29 ALA H . . 7.400 1.849 1.741 1.960 . 0 0 "[ . 1]" 1
1056 2 28 VAL QG 2 29 ALA MB . . 8.400 2.851 2.783 2.917 . 0 0 "[ . 1]" 1
1057 2 28 VAL QG 2 32 LYS H . . 7.400 3.893 3.338 4.519 . 0 0 "[ . 1]" 1
1058 2 28 VAL QG 2 32 LYS HD2 . . 7.400 2.857 2.152 3.436 . 0 0 "[ . 1]" 1
1059 2 28 VAL QG 2 32 LYS HD3 . . 7.400 3.599 2.968 4.059 . 0 0 "[ . 1]" 1
1060 2 28 VAL QG 2 32 LYS QE . . 8.400 1.901 1.656 2.577 . 0 0 "[ . 1]" 1
1061 2 29 ALA H 2 30 ARG H . . 3.500 2.955 2.847 3.118 . 0 0 "[ . 1]" 1
1062 2 29 ALA H 2 31 LEU H . . 5.000 3.802 3.740 3.892 . 0 0 "[ . 1]" 1
1063 2 29 ALA H 2 31 LEU QB . . 5.000 4.441 4.279 4.606 . 0 0 "[ . 1]" 1
1064 2 29 ALA H 2 32 LYS QD . . 6.000 3.859 3.435 4.353 . 0 0 "[ . 1]" 1
1065 2 29 ALA H 2 32 LYS QE . . 6.000 3.988 3.256 4.562 . 0 0 "[ . 1]" 1
1066 2 29 ALA HA 2 32 LYS H . . 4.000 3.670 3.425 3.902 . 0 0 "[ . 1]" 1
1067 2 29 ALA HA 2 32 LYS HD2 . . 5.000 2.231 1.928 3.548 . 0 0 "[ . 1]" 1
1068 2 29 ALA HA 2 32 LYS HD3 . . 5.000 3.201 2.556 3.623 . 0 0 "[ . 1]" 1
1069 2 29 ALA HA 2 32 LYS QE . . 6.000 3.345 2.305 4.209 . 0 0 "[ . 1]" 1
1070 2 29 ALA HA 2 33 LYS H . . 5.000 4.309 4.191 4.453 . 0 0 "[ . 1]" 1
1071 2 29 ALA MB 2 30 ARG H . . 5.000 2.328 2.139 2.582 . 0 0 "[ . 1]" 1
1072 2 29 ALA MB 2 30 ARG QB . . 6.600 3.654 3.520 3.735 . 0 0 "[ . 1]" 1
1073 2 29 ALA MB 2 31 LEU H . . 6.000 4.142 4.019 4.284 . 0 0 "[ . 1]" 1
1074 2 29 ALA MB 2 32 LYS H . . 6.000 4.794 4.465 5.037 . 0 0 "[ . 1]" 1
1075 2 29 ALA MB 2 33 LYS QB . . 7.000 4.333 4.159 4.510 . 0 0 "[ . 1]" 1
1076 2 30 ARG H 2 30 ARG HA . . 3.000 2.764 2.700 2.793 . 0 0 "[ . 1]" 1
1077 2 30 ARG H 2 30 ARG HB2 . . 3.500 2.463 2.055 3.525 0.025 6 0 "[ . 1]" 1
1078 2 30 ARG H 2 30 ARG HD2 . . 5.000 4.793 4.088 4.991 . 0 0 "[ . 1]" 1
1079 2 30 ARG H 2 30 ARG HD3 . . 5.000 4.932 4.806 5.031 0.031 8 0 "[ . 1]" 1
1080 2 30 ARG H 2 30 ARG HG2 . . 5.000 4.228 2.505 4.556 . 0 0 "[ . 1]" 1
1081 2 30 ARG H 2 30 ARG HG3 . . 5.000 4.205 3.267 4.532 . 0 0 "[ . 1]" 1
1082 2 30 ARG H 2 31 LEU H . . 3.500 2.612 2.529 2.772 . 0 0 "[ . 1]" 1
1083 2 30 ARG H 2 32 LYS H . . 5.000 4.570 4.127 4.834 . 0 0 "[ . 1]" 1
1084 2 30 ARG H 2 32 LYS QD . . 6.000 4.982 4.619 5.321 . 0 0 "[ . 1]" 1
1085 2 30 ARG HA 2 32 LYS H . . 5.000 4.668 3.943 5.094 0.094 10 0 "[ . 1]" 1
1086 2 30 ARG HA 2 33 LYS H . . 5.000 3.410 3.285 3.534 . 0 0 "[ . 1]" 1
1087 2 30 ARG HA 2 33 LYS QD . . 6.000 3.756 2.887 4.479 . 0 0 "[ . 1]" 1
1088 2 30 ARG HA 2 33 LYS QG . . 6.000 4.399 4.156 4.673 . 0 0 "[ . 1]" 1
1089 2 30 ARG QB 2 31 LEU QB . . 6.200 4.120 3.991 4.786 . 0 0 "[ . 1]" 1
1090 2 30 ARG QB 2 33 LYS QB . . 7.000 4.228 3.811 4.474 . 0 0 "[ . 1]" 1
1091 2 30 ARG HB2 2 31 LEU H . . 5.000 3.996 3.617 4.184 . 0 0 "[ . 1]" 1
1092 2 30 ARG HB3 2 31 LEU H . . 5.000 3.149 2.976 4.024 . 0 0 "[ . 1]" 1
1093 2 30 ARG QD 2 34 LEU QB . . 7.000 4.170 3.113 5.106 . 0 0 "[ . 1]" 1
1094 2 30 ARG QD 2 34 LEU QD . . 8.400 3.561 2.766 4.805 . 0 0 "[ . 1]" 1
1095 2 30 ARG QG 2 31 LEU H . . 6.000 4.010 2.315 4.552 . 0 0 "[ . 1]" 1
1096 2 30 ARG QG 2 33 LYS H . . 6.000 4.757 4.527 5.036 . 0 0 "[ . 1]" 1
1097 2 30 ARG QG 2 34 LEU H . . 6.000 3.700 3.149 4.483 . 0 0 "[ . 1]" 1
1098 2 30 ARG QG 2 34 LEU QD . . 8.400 3.139 2.400 3.804 . 0 0 "[ . 1]" 1
1099 2 31 LEU H 2 32 LYS H . . 4.000 2.709 2.483 2.833 . 0 0 "[ . 1]" 1
1100 2 31 LEU H 2 32 LYS QE . . 6.000 4.875 4.045 5.473 . 0 0 "[ . 1]" 1
1101 2 31 LEU H 2 33 LYS H . . 5.000 3.908 3.560 4.344 . 0 0 "[ . 1]" 1
1102 2 31 LEU H 2 34 LEU H . . 5.000 4.503 4.294 4.760 . 0 0 "[ . 1]" 1
1103 2 31 LEU HA 2 32 LYS H . . 5.000 3.622 3.542 3.640 . 0 0 "[ . 1]" 1
1104 2 31 LEU HA 2 33 LYS H . . 5.000 4.388 3.905 5.004 0.004 9 0 "[ . 1]" 1
1105 2 31 LEU HA 2 34 LEU H . . 5.000 3.467 2.921 4.029 . 0 0 "[ . 1]" 1
1106 2 31 LEU HA 2 34 LEU HB2 . . 4.000 3.356 2.599 3.880 . 0 0 "[ . 1]" 1
1107 2 31 LEU HA 2 34 LEU HB3 . . 4.000 3.053 2.398 3.963 . 0 0 "[ . 1]" 1
1108 2 31 LEU HA 2 35 VAL H . . 5.000 3.744 3.299 4.379 . 0 0 "[ . 1]" 1
1109 2 31 LEU QB 2 32 LYS HA . . 5.600 4.204 3.969 4.675 . 0 0 "[ . 1]" 1
1110 2 31 LEU HB2 2 32 LYS H . . 5.000 3.818 3.552 4.355 . 0 0 "[ . 1]" 1
1111 2 31 LEU HB3 2 32 LYS H . . 5.000 2.505 2.147 3.234 . 0 0 "[ . 1]" 1
1112 2 31 LEU QD 2 32 LYS H . . 7.400 3.618 2.738 4.063 . 0 0 "[ . 1]" 1
1113 2 31 LEU QD 2 34 LEU H . . 7.400 4.487 3.480 5.388 . 0 0 "[ . 1]" 1
1114 2 31 LEU QD 2 35 VAL H . . 7.400 3.619 2.351 4.740 . 0 0 "[ . 1]" 1
1115 2 31 LEU HG 2 32 LYS H . . 5.000 3.736 3.167 4.240 . 0 0 "[ . 1]" 1
1116 2 31 LEU HG 2 35 VAL H . . 5.000 4.585 4.092 5.109 0.109 3 0 "[ . 1]" 1
1117 2 32 LYS H 2 32 LYS HD2 . . 5.000 3.051 2.178 4.106 . 0 0 "[ . 1]" 1
1118 2 32 LYS H 2 32 LYS HD3 . . 5.000 3.871 2.850 4.352 . 0 0 "[ . 1]" 1
1119 2 32 LYS H 2 32 LYS QE . . 6.000 3.479 2.239 4.432 . 0 0 "[ . 1]" 1
1120 2 32 LYS H 2 33 LYS H . . 3.500 2.718 2.559 2.803 . 0 0 "[ . 1]" 1
1121 2 32 LYS H 2 33 LYS HB2 . . 5.000 4.967 4.719 5.119 0.119 7 0 "[ . 1]" 1
1122 2 32 LYS H 2 33 LYS HB3 . . 5.000 4.953 4.556 5.101 0.101 7 0 "[ . 1]" 1
1123 2 32 LYS H 2 35 VAL QG . . 7.400 3.872 3.343 4.594 . 0 0 "[ . 1]" 1
1124 2 32 LYS HA 2 32 LYS QE . . 6.000 4.484 3.751 4.917 . 0 0 "[ . 1]" 1
1125 2 32 LYS HA 2 33 LYS H . . 5.000 3.583 3.524 3.636 . 0 0 "[ . 1]" 1
1126 2 32 LYS HA 2 35 VAL H . . 4.000 3.531 3.094 3.924 . 0 0 "[ . 1]" 1
1127 2 32 LYS HA 2 36 GLY H . . 4.000 3.386 2.973 3.734 . 0 0 "[ . 1]" 1
1128 2 32 LYS QB 2 35 VAL QG . . 8.400 3.726 3.050 4.402 . 0 0 "[ . 1]" 1
1129 2 32 LYS QD 2 33 LYS H . . 6.000 4.125 3.540 4.459 . 0 0 "[ . 1]" 1
1130 2 32 LYS QG 2 33 LYS H . . 6.000 3.613 2.124 4.543 . 0 0 "[ . 1]" 1
1131 2 33 LYS H 2 33 LYS HA . . 3.000 2.806 2.709 2.873 . 0 0 "[ . 1]" 1
1132 2 33 LYS H 2 33 LYS QB . . 3.600 2.203 2.128 2.245 . 0 0 "[ . 1]" 1
1133 2 33 LYS H 2 33 LYS HB3 . . 3.000 2.526 2.445 2.730 . 0 0 "[ . 1]" 1
1134 2 33 LYS H 2 33 LYS QD . . 6.000 4.451 4.274 4.637 . 0 0 "[ . 1]" 1
1135 2 33 LYS H 2 33 LYS QE . . 6.000 4.769 4.253 5.168 . 0 0 "[ . 1]" 1
1136 2 33 LYS H 2 33 LYS HG3 . . 5.000 4.400 4.194 4.577 . 0 0 "[ . 1]" 1
1137 2 33 LYS H 2 35 VAL H . . 4.000 4.036 3.929 4.117 0.117 3 0 "[ . 1]" 1
1138 2 33 LYS HA 2 33 LYS HB2 . . 3.000 2.488 2.433 2.566 . 0 0 "[ . 1]" 1
1139 2 33 LYS HA 2 33 LYS HB3 . . 3.000 3.032 3.023 3.034 0.034 10 0 "[ . 1]" 1
1140 2 33 LYS HA 2 33 LYS QE . . 6.000 4.187 2.991 4.685 . 0 0 "[ . 1]" 1
1141 2 33 LYS HA 2 34 LEU H . . 4.000 3.616 3.581 3.640 . 0 0 "[ . 1]" 1
1142 2 33 LYS HA 2 36 GLY QA . . 4.500 3.888 3.471 4.137 . 0 0 "[ . 1]" 1
1143 2 33 LYS QG 2 34 LEU H . . 6.000 3.742 3.307 3.989 . 0 0 "[ . 1]" 1
1144 2 34 LEU H 2 34 LEU HG . . 5.000 4.309 3.975 4.559 . 0 0 "[ . 1]" 1
1145 2 34 LEU H 2 35 VAL H . . 3.500 2.721 2.546 2.941 . 0 0 "[ . 1]" 1
1146 2 34 LEU H 2 35 VAL QG . . 7.400 3.813 3.335 4.431 . 0 0 "[ . 1]" 1
1147 2 34 LEU H 2 35 VAL MG2 . . 6.000 4.012 3.559 4.585 . 0 0 "[ . 1]" 1
1148 2 34 LEU HA 2 35 VAL H . . 5.000 3.607 3.549 3.631 . 0 0 "[ . 1]" 1
1149 2 34 LEU HB2 2 35 VAL H . . 4.000 3.630 2.983 4.017 0.017 9 0 "[ . 1]" 1
1150 2 34 LEU HB3 2 35 VAL H . . 4.000 2.718 2.440 3.049 . 0 0 "[ . 1]" 1
1151 2 34 LEU QD 2 35 VAL H . . 7.400 3.673 2.929 4.238 . 0 0 "[ . 1]" 1
1152 2 34 LEU HG 2 35 VAL H . . 5.000 4.645 4.166 5.086 0.086 3 0 "[ . 1]" 1
1153 2 35 VAL H 2 35 VAL HA . . 3.000 2.796 2.716 2.899 . 0 0 "[ . 1]" 1
1154 2 35 VAL H 2 35 VAL HB . . 3.500 2.919 2.247 3.522 0.022 7 0 "[ . 1]" 1
1155 2 35 VAL HA 2 37 GLU H . . 4.000 3.959 3.430 4.204 0.204 9 0 "[ . 1]" 1
1156 2 35 VAL HB 2 36 GLY H . . 3.500 2.822 1.904 3.659 0.159 2 0 "[ . 1]" 1
1157 2 35 VAL HB 2 36 GLY QA . . 5.600 4.304 3.785 4.752 . 0 0 "[ . 1]" 1
1158 2 35 VAL HB 2 37 GLU H . . 4.000 3.540 2.887 4.134 0.134 3 0 "[ . 1]" 1
1159 2 35 VAL HB 2 37 GLU QB . . 6.000 4.191 2.897 5.144 . 0 0 "[ . 1]" 1
1160 2 35 VAL QG 2 36 GLY H . . 7.400 2.101 1.712 2.641 . 0 0 "[ . 1]" 1
1161 2 35 VAL MG1 2 36 GLY QA . . 6.600 4.168 3.017 5.040 . 0 0 "[ . 1]" 1
1162 2 35 VAL MG1 2 37 GLU H . . 6.000 3.174 1.713 5.007 . 0 0 "[ . 1]" 1
1163 2 35 VAL MG2 2 36 GLY QA . . 6.600 3.970 2.920 5.010 . 0 0 "[ . 1]" 1
1164 2 35 VAL MG2 2 37 GLU H . . 6.000 3.533 2.085 4.644 . 0 0 "[ . 1]" 1
1165 2 36 GLY QA 2 37 GLU HA . . 4.600 4.091 3.973 4.200 . 0 0 "[ . 1]" 1
1166 2 36 GLY QA 2 37 GLU QB . . 6.200 4.500 4.320 4.709 . 0 0 "[ . 1]" 1
1167 2 36 GLY QA 2 37 GLU QG . . 6.600 4.381 3.962 5.149 . 0 0 "[ . 1]" 1
1168 2 36 GLY HA2 2 37 GLU H . . 4.000 3.044 2.802 3.643 . 0 0 "[ . 1]" 1
1169 2 36 GLY HA3 2 37 GLU H . . 4.000 3.459 2.692 3.635 . 0 0 "[ . 1]" 1
1170 2 37 GLU H 2 37 GLU HB2 . . 3.500 2.753 2.030 3.556 0.056 5 0 "[ . 1]" 1
1171 2 37 GLU H 2 37 GLU HB3 . . 3.500 3.038 2.493 3.506 0.006 8 0 "[ . 1]" 1
1172 2 37 GLU HA 2 38 ARG H . . 3.000 2.816 2.704 2.900 . 0 0 "[ . 1]" 1
1173 2 37 GLU HB2 2 38 ARG H . . 3.500 2.894 1.932 3.542 0.042 10 0 "[ . 1]" 1
1174 2 37 GLU HB3 2 38 ARG H . . 3.500 2.588 1.932 3.556 0.056 9 0 "[ . 1]" 1
1175 2 37 GLU QG 2 38 ARG H . . 6.000 3.493 3.185 3.940 . 0 0 "[ . 1]" 1
1176 2 38 ARG H 2 38 ARG HA . . 3.000 2.663 2.176 2.906 . 0 0 "[ . 1]" 1
1177 2 38 ARG H 2 38 ARG HB2 . . 3.500 2.581 2.172 3.098 . 0 0 "[ . 1]" 1
1178 2 38 ARG H 2 38 ARG HB3 . . 3.500 2.900 2.427 3.529 0.029 1 0 "[ . 1]" 1
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