NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
448359 |
2ns5   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ns5
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 1212
_Distance_constraint_stats_list.Viol_count 901
_Distance_constraint_stats_list.Viol_total 757.965
_Distance_constraint_stats_list.Viol_max 0.277
_Distance_constraint_stats_list.Viol_rms 0.0123
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0016
_Distance_constraint_stats_list.Viol_average_violations_only 0.0421
_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 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 PHE 0.181 0.039 8 0 "[ . 1 . 2]"
1 4 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 VAL 1.441 0.219 20 0 "[ . 1 . 2]"
1 6 THR 0.232 0.035 8 0 "[ . 1 . 2]"
1 7 VAL 1.807 0.147 6 0 "[ . 1 . 2]"
1 8 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 GLY 0.247 0.020 19 0 "[ . 1 . 2]"
1 11 ARG 0.136 0.026 6 0 "[ . 1 . 2]"
1 12 THR 0.136 0.026 6 0 "[ . 1 . 2]"
1 13 ARG 0.144 0.035 8 0 "[ . 1 . 2]"
1 14 VAL 0.131 0.078 6 0 "[ . 1 . 2]"
1 15 ASP 0.051 0.049 6 0 "[ . 1 . 2]"
1 16 VAL 0.655 0.183 9 0 "[ . 1 . 2]"
1 17 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 CYS 0.376 0.042 4 0 "[ . 1 . 2]"
1 19 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 GLY 0.054 0.023 1 0 "[ . 1 . 2]"
1 22 ARG 0.226 0.034 19 0 "[ . 1 . 2]"
1 23 MET 0.642 0.058 16 0 "[ . 1 . 2]"
1 24 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 VAL 0.277 0.091 11 0 "[ . 1 . 2]"
1 26 PHE 0.539 0.055 18 0 "[ . 1 . 2]"
1 27 SER 0.730 0.055 18 0 "[ . 1 . 2]"
1 28 LEU 5.801 0.277 17 0 "[ . 1 . 2]"
1 29 ILE 4.874 0.274 6 0 "[ . 1 . 2]"
1 30 GLN 0.997 0.044 10 0 "[ . 1 . 2]"
1 31 GLN 1.026 0.046 8 0 "[ . 1 . 2]"
1 32 ALA 0.103 0.023 6 0 "[ . 1 . 2]"
1 33 VAL 3.283 0.190 12 0 "[ . 1 . 2]"
1 34 THR 0.079 0.013 18 0 "[ . 1 . 2]"
1 35 ARG 0.080 0.016 12 0 "[ . 1 . 2]"
1 36 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ARG 0.052 0.016 14 0 "[ . 1 . 2]"
1 38 LYS 0.020 0.015 14 0 "[ . 1 . 2]"
1 39 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 VAL 1.107 0.163 18 0 "[ . 1 . 2]"
1 41 ALA 0.052 0.016 14 0 "[ . 1 . 2]"
1 42 LYS 1.107 0.163 18 0 "[ . 1 . 2]"
1 43 ASP 0.147 0.024 10 0 "[ . 1 . 2]"
1 44 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 ASN 0.726 0.062 7 0 "[ . 1 . 2]"
1 46 TYR 0.649 0.062 7 0 "[ . 1 . 2]"
1 47 TRP 4.115 0.222 13 0 "[ . 1 . 2]"
1 48 ILE 0.831 0.047 10 0 "[ . 1 . 2]"
1 49 GLN 1.919 0.091 12 0 "[ . 1 . 2]"
1 50 VAL 5.650 0.274 6 0 "[ . 1 . 2]"
1 51 HIS 0.992 0.062 2 0 "[ . 1 . 2]"
1 52 ARG 1.068 0.062 2 0 "[ . 1 . 2]"
1 53 LEU 0.767 0.158 9 0 "[ . 1 . 2]"
1 54 GLU 0.057 0.010 16 0 "[ . 1 . 2]"
1 55 HIS 0.038 0.019 19 0 "[ . 1 . 2]"
1 56 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ASP 0.224 0.043 7 0 "[ . 1 . 2]"
1 58 GLY 0.009 0.007 15 0 "[ . 1 . 2]"
1 59 GLY 0.053 0.008 19 0 "[ . 1 . 2]"
1 60 ILE 2.017 0.184 15 0 "[ . 1 . 2]"
1 61 LEU 4.344 0.249 10 0 "[ . 1 . 2]"
1 62 ASP 0.178 0.054 3 0 "[ . 1 . 2]"
1 63 LEU 0.460 0.080 7 0 "[ . 1 . 2]"
1 64 ASP 0.045 0.031 7 0 "[ . 1 . 2]"
1 65 ASP 0.943 0.185 19 0 "[ . 1 . 2]"
1 66 ILE 1.882 0.100 4 0 "[ . 1 . 2]"
1 67 LEU 2.805 0.277 17 0 "[ . 1 . 2]"
1 68 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 VAL 2.977 0.275 1 0 "[ . 1 . 2]"
1 71 ALA 0.862 0.120 18 0 "[ . 1 . 2]"
1 72 ASP 0.038 0.009 19 0 "[ . 1 . 2]"
1 73 ASP 0.102 0.014 5 0 "[ . 1 . 2]"
1 74 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 ASP 0.038 0.009 19 0 "[ . 1 . 2]"
1 76 ARG 0.013 0.007 7 0 "[ . 1 . 2]"
1 77 LEU 1.805 0.205 1 0 "[ . 1 . 2]"
1 78 VAL 0.442 0.095 1 0 "[ . 1 . 2]"
1 79 ALA 1.432 0.158 9 0 "[ . 1 . 2]"
1 80 VAL 0.014 0.007 20 0 "[ . 1 . 2]"
1 81 PHE 0.548 0.035 12 0 "[ . 1 . 2]"
1 82 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 GLU 0.403 0.048 10 0 "[ . 1 . 2]"
1 84 GLN 1.861 0.222 13 0 "[ . 1 . 2]"
1 85 ASP 0.243 0.049 20 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 SER HA 1 2 GLU H 5.000 . 5.000 2.636 2.141 3.566 . 0 0 "[ . 1 . 2]" 1
2 1 1 SER QB 1 2 GLU H 5.000 . 6.000 3.142 1.977 3.995 . 0 0 "[ . 1 . 2]" 1
3 1 2 GLU HA 1 3 PHE H 2.900 . 2.900 2.589 2.246 2.799 . 0 0 "[ . 1 . 2]" 1
4 1 2 GLU QB 1 3 PHE H 5.000 . 6.000 2.179 1.934 2.807 . 0 0 "[ . 1 . 2]" 1
5 1 2 GLU QB 1 19 GLY H 5.000 . 6.000 4.754 4.261 5.085 . 0 0 "[ . 1 . 2]" 1
6 1 2 GLU QG 1 3 PHE H 5.000 . 6.000 3.427 2.091 3.977 . 0 0 "[ . 1 . 2]" 1
7 1 2 GLU QG 1 19 GLY H 5.000 . 6.000 4.876 4.281 5.293 . 0 0 "[ . 1 . 2]" 1
8 1 2 GLU H 1 3 PHE H 5.000 . 5.000 4.502 4.302 4.650 . 0 0 "[ . 1 . 2]" 1
9 1 3 PHE H 1 3 PHE HA 2.900 . 2.900 2.868 2.799 2.939 0.039 8 0 "[ . 1 . 2]" 1
10 1 3 PHE HA 1 4 LYS H 2.900 . 2.900 2.345 2.224 2.432 . 0 0 "[ . 1 . 2]" 1
11 1 3 PHE HA 1 73 ASP H 5.000 . 5.000 4.989 4.835 5.014 0.014 5 0 "[ . 1 . 2]" 1
12 1 3 PHE HA 1 74 LYS H 5.000 . 5.000 4.088 3.721 4.376 . 0 0 "[ . 1 . 2]" 1
13 1 3 PHE H 1 3 PHE QB 3.500 . 4.100 2.169 2.078 2.392 . 0 0 "[ . 1 . 2]" 1
14 1 3 PHE QB 1 4 LYS H 5.000 . 6.000 3.132 2.910 3.946 . 0 0 "[ . 1 . 2]" 1
15 1 3 PHE QB 1 5 VAL H 5.000 . 6.000 5.014 4.938 5.130 . 0 0 "[ . 1 . 2]" 1
16 1 3 PHE H 1 3 PHE QD 5.000 . 7.000 3.922 3.785 4.099 . 0 0 "[ . 1 . 2]" 1
17 1 3 PHE QD 1 4 LYS H 5.000 . 7.000 2.305 1.974 3.986 . 0 0 "[ . 1 . 2]" 1
18 1 3 PHE QD 1 5 VAL H 5.000 . 7.000 4.020 3.901 4.444 . 0 0 "[ . 1 . 2]" 1
19 1 3 PHE QD 1 21 GLY H 5.000 . 7.000 4.939 4.403 5.632 . 0 0 "[ . 1 . 2]" 1
20 1 3 PHE QD 1 68 CYS H 5.000 . 7.000 5.015 4.561 5.487 . 0 0 "[ . 1 . 2]" 1
21 1 3 PHE QD 1 71 ALA H 5.000 . 7.000 6.476 6.365 6.525 . 0 0 "[ . 1 . 2]" 1
22 1 3 PHE QD 1 72 ASP H 5.000 . 7.000 5.208 4.703 5.902 . 0 0 "[ . 1 . 2]" 1
23 1 3 PHE QD 1 73 ASP H 5.000 . 7.000 4.598 4.211 5.002 . 0 0 "[ . 1 . 2]" 1
24 1 3 PHE QD 1 74 LYS H 5.000 . 7.000 4.252 3.858 4.936 . 0 0 "[ . 1 . 2]" 1
25 1 3 PHE QD 1 75 ASP H 5.000 . 7.000 5.319 4.908 5.879 . 0 0 "[ . 1 . 2]" 1
26 1 3 PHE QE 1 4 LYS H 5.000 . 7.000 3.895 3.691 5.378 . 0 0 "[ . 1 . 2]" 1
27 1 3 PHE QE 1 5 VAL H 5.000 . 7.000 5.382 5.205 5.687 . 0 0 "[ . 1 . 2]" 1
28 1 3 PHE QE 1 68 CYS H 5.000 . 7.000 4.195 3.351 4.685 . 0 0 "[ . 1 . 2]" 1
29 1 3 PHE QE 1 71 ALA H 5.000 . 7.000 4.663 4.375 4.811 . 0 0 "[ . 1 . 2]" 1
30 1 3 PHE QE 1 73 ASP H 5.000 . 7.000 3.605 2.886 4.270 . 0 0 "[ . 1 . 2]" 1
31 1 3 PHE QE 1 74 LYS H 5.000 . 7.000 4.734 4.312 5.278 . 0 0 "[ . 1 . 2]" 1
32 1 3 PHE QE 1 75 ASP H 5.000 . 7.000 4.939 4.365 5.497 . 0 0 "[ . 1 . 2]" 1
33 1 3 PHE H 1 4 LYS H 5.000 . 5.000 4.588 4.216 4.640 . 0 0 "[ . 1 . 2]" 1
34 1 4 LYS HA 1 5 VAL H 2.900 . 2.900 2.133 2.121 2.139 . 0 0 "[ . 1 . 2]" 1
35 1 4 LYS HA 1 18 CYS H 5.000 . 5.000 3.096 2.610 3.478 . 0 0 "[ . 1 . 2]" 1
36 1 4 LYS H 1 4 LYS QB 3.500 . 4.100 2.802 2.257 2.919 . 0 0 "[ . 1 . 2]" 1
37 1 4 LYS QB 1 5 VAL H 3.500 . 4.500 3.595 3.399 3.814 . 0 0 "[ . 1 . 2]" 1
38 1 4 LYS QB 1 16 VAL H 5.000 . 6.000 5.149 4.702 5.404 . 0 0 "[ . 1 . 2]" 1
39 1 4 LYS QB 1 18 CYS H 5.000 . 6.000 4.573 3.921 5.352 . 0 0 "[ . 1 . 2]" 1
40 1 4 LYS H 1 4 LYS QD 5.000 . 6.000 5.037 4.613 5.294 . 0 0 "[ . 1 . 2]" 1
41 1 4 LYS QD 1 5 VAL H 5.000 . 6.000 4.177 2.618 5.076 . 0 0 "[ . 1 . 2]" 1
42 1 4 LYS QD 1 16 VAL H 5.000 . 6.000 4.474 3.011 5.295 . 0 0 "[ . 1 . 2]" 1
43 1 4 LYS QG 1 5 VAL H 5.000 . 6.000 3.419 2.928 3.845 . 0 0 "[ . 1 . 2]" 1
44 1 4 LYS QG 1 16 VAL H 5.000 . 6.000 4.221 3.462 5.114 . 0 0 "[ . 1 . 2]" 1
45 1 4 LYS QG 1 18 CYS H 5.000 . 6.000 3.967 3.186 4.520 . 0 0 "[ . 1 . 2]" 1
46 1 4 LYS H 1 5 VAL QG 5.000 . 7.400 3.261 3.031 4.116 . 0 0 "[ . 1 . 2]" 1
47 1 4 LYS H 1 5 VAL H 5.000 . 5.000 3.997 3.913 4.381 . 0 0 "[ . 1 . 2]" 1
48 1 4 LYS H 1 73 ASP HA 5.000 . 5.000 2.444 2.247 2.933 . 0 0 "[ . 1 . 2]" 1
49 1 4 LYS H 1 73 ASP QB 5.000 . 6.000 4.127 3.441 4.514 . 0 0 "[ . 1 . 2]" 1
50 1 4 LYS H 1 74 LYS HA 5.000 . 5.000 4.433 3.918 4.764 . 0 0 "[ . 1 . 2]" 1
51 1 4 LYS H 1 74 LYS H 5.000 . 5.000 2.537 2.235 2.788 . 0 0 "[ . 1 . 2]" 1
52 1 5 VAL HA 1 6 THR H 2.900 . 2.900 2.225 2.210 2.334 . 0 0 "[ . 1 . 2]" 1
53 1 5 VAL HA 1 74 LYS H 5.000 . 5.000 4.222 4.122 4.595 . 0 0 "[ . 1 . 2]" 1
54 1 5 VAL HA 1 75 ASP H 5.000 . 5.000 2.353 2.126 2.598 . 0 0 "[ . 1 . 2]" 1
55 1 5 VAL HB 1 6 THR H 2.900 . 2.900 2.892 2.568 2.919 0.019 13 0 "[ . 1 . 2]" 1
56 1 5 VAL H 1 5 VAL QG 2.900 . 4.600 2.064 1.943 2.223 . 0 0 "[ . 1 . 2]" 1
57 1 5 VAL QG 1 6 THR H 3.500 . 5.900 3.364 3.259 3.406 . 0 0 "[ . 1 . 2]" 1
58 1 5 VAL QG 1 16 VAL H 3.500 . 5.900 3.270 2.822 3.648 . 0 0 "[ . 1 . 2]" 1
59 1 5 VAL QG 1 18 CYS H 5.000 . 7.400 4.246 3.536 4.883 . 0 0 "[ . 1 . 2]" 1
60 1 5 VAL QG 1 72 ASP H 5.000 . 7.400 2.976 2.365 3.602 . 0 0 "[ . 1 . 2]" 1
61 1 5 VAL QG 1 73 ASP H 5.000 . 7.400 4.925 4.729 5.035 . 0 0 "[ . 1 . 2]" 1
62 1 5 VAL QG 1 74 LYS H 5.000 . 7.400 3.650 3.402 4.187 . 0 0 "[ . 1 . 2]" 1
63 1 5 VAL QG 1 75 ASP H 3.500 . 5.900 2.733 2.419 3.084 . 0 0 "[ . 1 . 2]" 1
64 1 5 VAL QG 1 76 ARG H 5.000 . 7.400 5.050 4.677 5.212 . 0 0 "[ . 1 . 2]" 1
65 1 5 VAL H 1 6 THR H 5.000 . 5.000 4.382 4.353 4.441 . 0 0 "[ . 1 . 2]" 1
66 1 5 VAL H 1 16 VAL HB 5.000 . 5.000 3.461 3.274 4.035 . 0 0 "[ . 1 . 2]" 1
67 1 5 VAL H 1 16 VAL QG 2.900 . 5.300 3.925 3.421 4.031 . 0 0 "[ . 1 . 2]" 1
68 1 5 VAL H 1 16 VAL H 5.000 . 5.000 2.869 2.637 3.115 . 0 0 "[ . 1 . 2]" 1
69 1 5 VAL H 1 17 PRO HA 5.000 . 5.000 3.507 3.253 3.699 . 0 0 "[ . 1 . 2]" 1
70 1 5 VAL H 1 18 CYS H 5.000 . 5.000 4.451 3.909 5.004 0.004 9 0 "[ . 1 . 2]" 1
71 1 6 THR HA 1 7 VAL H 2.900 . 2.900 2.147 2.130 2.165 . 0 0 "[ . 1 . 2]" 1
72 1 6 THR HA 1 14 VAL H 5.000 . 5.000 4.391 4.149 4.694 . 0 0 "[ . 1 . 2]" 1
73 1 6 THR HA 1 16 VAL H 5.000 . 5.000 3.317 3.030 3.623 . 0 0 "[ . 1 . 2]" 1
74 1 6 THR H 1 6 THR HB 3.500 . 3.500 2.639 2.529 2.807 . 0 0 "[ . 1 . 2]" 1
75 1 6 THR HB 1 7 VAL H 5.000 . 5.000 4.244 3.892 4.396 . 0 0 "[ . 1 . 2]" 1
76 1 6 THR HB 1 76 ARG H 5.000 . 5.000 4.865 4.608 5.007 0.007 7 0 "[ . 1 . 2]" 1
77 1 6 THR HB 1 77 LEU H 5.000 . 5.000 3.137 2.521 3.650 . 0 0 "[ . 1 . 2]" 1
78 1 6 THR MG 1 7 VAL H 3.500 . 5.000 2.958 2.589 3.248 . 0 0 "[ . 1 . 2]" 1
79 1 6 THR MG 1 13 ARG H 5.000 . 6.500 5.265 4.881 5.470 . 0 0 "[ . 1 . 2]" 1
80 1 6 THR MG 1 14 VAL H 5.000 . 6.500 3.009 2.527 3.497 . 0 0 "[ . 1 . 2]" 1
81 1 6 THR MG 1 15 ASP H 5.000 . 6.500 3.899 3.408 4.266 . 0 0 "[ . 1 . 2]" 1
82 1 6 THR MG 1 16 VAL H 5.000 . 6.500 4.805 4.248 5.179 . 0 0 "[ . 1 . 2]" 1
83 1 6 THR H 1 7 VAL H 5.000 . 5.000 4.310 4.164 4.484 . 0 0 "[ . 1 . 2]" 1
84 1 6 THR H 1 15 ASP HA 5.000 . 5.000 4.687 4.501 4.950 . 0 0 "[ . 1 . 2]" 1
85 1 6 THR H 1 16 VAL H 5.000 . 5.000 4.814 4.635 4.977 . 0 0 "[ . 1 . 2]" 1
86 1 6 THR H 1 76 ARG HA 5.000 . 5.000 2.575 2.237 2.852 . 0 0 "[ . 1 . 2]" 1
87 1 6 THR H 1 76 ARG QB 5.000 . 6.000 4.563 3.967 4.879 . 0 0 "[ . 1 . 2]" 1
88 1 6 THR H 1 76 ARG H 5.000 . 5.000 4.574 4.353 4.727 . 0 0 "[ . 1 . 2]" 1
89 1 6 THR H 1 77 LEU QD 5.000 . 7.400 3.395 2.379 4.267 . 0 0 "[ . 1 . 2]" 1
90 1 6 THR H 1 77 LEU HG 5.000 . 5.000 4.160 3.258 5.013 0.013 6 0 "[ . 1 . 2]" 1
91 1 6 THR H 1 77 LEU H 5.000 . 5.000 3.567 3.059 3.992 . 0 0 "[ . 1 . 2]" 1
92 1 7 VAL HA 1 8 CYS H 2.900 . 2.900 2.164 2.144 2.193 . 0 0 "[ . 1 . 2]" 1
93 1 7 VAL HA 1 77 LEU H 5.000 . 5.000 3.442 2.947 3.859 . 0 0 "[ . 1 . 2]" 1
94 1 7 VAL H 1 7 VAL HB 3.500 . 3.500 2.943 2.604 3.647 0.147 6 0 "[ . 1 . 2]" 1
95 1 7 VAL HB 1 8 CYS H 5.000 . 5.000 4.093 3.029 4.358 . 0 0 "[ . 1 . 2]" 1
96 1 7 VAL HB 1 14 VAL H 5.000 . 5.000 4.184 3.632 5.023 0.023 6 0 "[ . 1 . 2]" 1
97 1 7 VAL H 1 7 VAL QG 3.500 . 5.200 2.189 1.817 2.449 . 0 0 "[ . 1 . 2]" 1
98 1 7 VAL QG 1 8 CYS H 3.500 . 5.900 3.178 2.858 3.648 . 0 0 "[ . 1 . 2]" 1
99 1 7 VAL QG 1 9 PHE H 5.000 . 7.400 3.973 3.773 4.333 . 0 0 "[ . 1 . 2]" 1
100 1 7 VAL QG 1 14 VAL H 5.000 . 7.400 3.880 3.053 4.315 . 0 0 "[ . 1 . 2]" 1
101 1 7 VAL QG 1 32 ALA H 5.000 . 7.400 4.171 3.865 4.435 . 0 0 "[ . 1 . 2]" 1
102 1 7 VAL QG 1 33 VAL H 5.000 . 7.400 4.606 4.192 5.000 . 0 0 "[ . 1 . 2]" 1
103 1 7 VAL QG 1 77 LEU H 5.000 . 7.400 4.191 3.508 4.520 . 0 0 "[ . 1 . 2]" 1
104 1 7 VAL QG 1 78 VAL H 5.000 . 7.400 4.872 4.048 5.415 . 0 0 "[ . 1 . 2]" 1
105 1 7 VAL QG 1 79 ALA H 5.000 . 7.400 3.679 2.642 4.500 . 0 0 "[ . 1 . 2]" 1
106 1 7 VAL H 1 8 CYS H 5.000 . 5.000 4.252 4.141 4.514 . 0 0 "[ . 1 . 2]" 1
107 1 7 VAL H 1 13 ARG HA 5.000 . 5.000 4.934 4.565 5.020 0.020 8 0 "[ . 1 . 2]" 1
108 1 7 VAL H 1 14 VAL HB 5.000 . 5.000 4.290 3.416 5.013 0.013 1 0 "[ . 1 . 2]" 1
109 1 7 VAL H 1 14 VAL QG 5.000 . 7.400 3.602 2.419 4.432 . 0 0 "[ . 1 . 2]" 1
110 1 7 VAL H 1 14 VAL H 5.000 . 5.000 3.285 2.938 3.634 . 0 0 "[ . 1 . 2]" 1
111 1 7 VAL H 1 15 ASP HA 5.000 . 5.000 3.357 3.023 3.575 . 0 0 "[ . 1 . 2]" 1
112 1 7 VAL H 1 15 ASP H 5.000 . 5.000 4.854 4.569 5.049 0.049 6 0 "[ . 1 . 2]" 1
113 1 7 VAL H 1 16 VAL QG 5.000 . 7.400 3.091 2.613 3.437 . 0 0 "[ . 1 . 2]" 1
114 1 7 VAL H 1 16 VAL H 5.000 . 5.000 4.299 4.073 4.540 . 0 0 "[ . 1 . 2]" 1
115 1 7 VAL H 1 77 LEU QB 5.000 . 6.000 4.968 4.522 5.046 . 0 0 "[ . 1 . 2]" 1
116 1 8 CYS HA 1 9 PHE H 2.900 . 2.900 2.178 2.169 2.184 . 0 0 "[ . 1 . 2]" 1
117 1 8 CYS HA 1 14 VAL H 5.000 . 5.000 3.163 2.738 3.547 . 0 0 "[ . 1 . 2]" 1
118 1 8 CYS HA 1 79 ALA H 5.000 . 5.000 4.321 4.038 4.567 . 0 0 "[ . 1 . 2]" 1
119 1 8 CYS QB 1 9 PHE H 5.000 . 6.000 3.873 3.581 3.965 . 0 0 "[ . 1 . 2]" 1
120 1 8 CYS QB 1 10 GLY H 5.000 . 6.000 4.545 4.204 4.822 . 0 0 "[ . 1 . 2]" 1
121 1 8 CYS QB 1 79 ALA H 5.000 . 6.000 2.895 2.447 3.276 . 0 0 "[ . 1 . 2]" 1
122 1 8 CYS H 1 9 PHE H 5.000 . 5.000 4.245 4.170 4.289 . 0 0 "[ . 1 . 2]" 1
123 1 8 CYS H 1 77 LEU QB 5.000 . 6.000 3.866 3.485 4.248 . 0 0 "[ . 1 . 2]" 1
124 1 8 CYS H 1 77 LEU H 5.000 . 5.000 3.797 3.378 4.368 . 0 0 "[ . 1 . 2]" 1
125 1 8 CYS H 1 78 VAL HA 5.000 . 5.000 2.772 2.204 3.280 . 0 0 "[ . 1 . 2]" 1
126 1 8 CYS H 1 78 VAL QG 5.000 . 7.400 3.941 3.337 4.355 . 0 0 "[ . 1 . 2]" 1
127 1 8 CYS H 1 79 ALA MB 5.000 . 6.500 3.497 2.881 4.148 . 0 0 "[ . 1 . 2]" 1
128 1 8 CYS H 1 79 ALA H 5.000 . 5.000 3.017 2.270 3.610 . 0 0 "[ . 1 . 2]" 1
129 1 9 PHE HA 1 10 GLY H 2.900 . 2.900 2.193 2.157 2.225 . 0 0 "[ . 1 . 2]" 1
130 1 9 PHE HA 1 79 ALA H 5.000 . 5.000 3.528 3.168 3.841 . 0 0 "[ . 1 . 2]" 1
131 1 9 PHE QB 1 10 GLY H 5.000 . 6.000 3.675 3.542 3.741 . 0 0 "[ . 1 . 2]" 1
132 1 9 PHE QB 1 12 THR H 5.000 . 6.000 3.649 3.542 3.732 . 0 0 "[ . 1 . 2]" 1
133 1 9 PHE H 1 9 PHE QD 5.000 . 7.000 2.727 2.234 3.181 . 0 0 "[ . 1 . 2]" 1
134 1 9 PHE QD 1 10 GLY H 5.000 . 7.000 4.371 3.949 4.673 . 0 0 "[ . 1 . 2]" 1
135 1 9 PHE QD 1 12 THR H 5.000 . 7.000 5.368 5.195 5.478 . 0 0 "[ . 1 . 2]" 1
136 1 9 PHE QD 1 14 VAL H 5.000 . 7.000 4.186 3.788 4.600 . 0 0 "[ . 1 . 2]" 1
137 1 9 PHE H 1 9 PHE QE 5.000 . 7.000 4.825 4.442 5.004 . 0 0 "[ . 1 . 2]" 1
138 1 9 PHE QE 1 14 VAL H 5.000 . 7.000 5.308 4.835 5.610 . 0 0 "[ . 1 . 2]" 1
139 1 9 PHE QE 1 32 ALA H 5.000 . 7.000 4.681 4.465 4.940 . 0 0 "[ . 1 . 2]" 1
140 1 9 PHE QE 1 33 VAL H 5.000 . 7.000 3.689 3.267 4.027 . 0 0 "[ . 1 . 2]" 1
141 1 9 PHE QE 1 34 THR H 5.000 . 7.000 5.401 5.188 5.746 . 0 0 "[ . 1 . 2]" 1
142 1 9 PHE QE 1 36 TYR H 5.000 . 7.000 4.559 3.708 5.532 . 0 0 "[ . 1 . 2]" 1
143 1 9 PHE QE 1 37 ARG H 5.000 . 7.000 5.981 5.618 6.516 . 0 0 "[ . 1 . 2]" 1
144 1 9 PHE H 1 10 GLY H 5.000 . 5.000 4.234 4.192 4.325 . 0 0 "[ . 1 . 2]" 1
145 1 9 PHE H 1 12 THR HB 5.000 . 5.000 3.627 3.308 4.194 . 0 0 "[ . 1 . 2]" 1
146 1 9 PHE H 1 12 THR MG 5.000 . 6.500 4.203 3.892 4.549 . 0 0 "[ . 1 . 2]" 1
147 1 9 PHE H 1 12 THR H 5.000 . 5.000 3.350 3.218 3.543 . 0 0 "[ . 1 . 2]" 1
148 1 9 PHE H 1 13 ARG HA 5.000 . 5.000 3.239 2.272 3.482 . 0 0 "[ . 1 . 2]" 1
149 1 9 PHE H 1 14 VAL QG 5.000 . 7.400 3.338 2.616 3.870 . 0 0 "[ . 1 . 2]" 1
150 1 9 PHE H 1 14 VAL H 5.000 . 5.000 3.854 3.274 4.212 . 0 0 "[ . 1 . 2]" 1
151 1 10 GLY QA 1 12 THR H 5.000 . 6.000 3.881 3.768 3.954 . 0 0 "[ . 1 . 2]" 1
152 1 10 GLY H 1 79 ALA MB 5.000 . 6.500 3.559 3.324 3.869 . 0 0 "[ . 1 . 2]" 1
153 1 10 GLY H 1 80 VAL QG 5.000 . 7.400 4.410 4.272 4.591 . 0 0 "[ . 1 . 2]" 1
154 1 10 GLY H 1 81 PHE QD 5.000 . 7.000 3.501 3.219 3.793 . 0 0 "[ . 1 . 2]" 1
155 1 10 GLY H 1 81 PHE QE 3.500 . 5.500 2.824 2.635 3.552 . 0 0 "[ . 1 . 2]" 1
156 1 10 GLY H 1 81 PHE HZ 5.000 . 5.000 5.006 4.865 5.020 0.020 19 0 "[ . 1 . 2]" 1
157 1 11 ARG HA 1 12 THR H 2.900 . 2.900 2.905 2.873 2.926 0.026 6 0 "[ . 1 . 2]" 1
158 1 11 ARG QB 1 12 THR H 5.000 . 6.000 3.810 3.760 4.034 . 0 0 "[ . 1 . 2]" 1
159 1 11 ARG QG 1 12 THR H 5.000 . 6.000 4.548 3.681 4.906 . 0 0 "[ . 1 . 2]" 1
160 1 12 THR HA 1 13 ARG H 2.900 . 2.900 2.162 2.140 2.243 . 0 0 "[ . 1 . 2]" 1
161 1 12 THR H 1 12 THR HB 3.500 . 3.500 2.835 2.759 3.017 . 0 0 "[ . 1 . 2]" 1
162 1 12 THR HB 1 13 ARG H 5.000 . 5.000 4.204 3.937 4.364 . 0 0 "[ . 1 . 2]" 1
163 1 12 THR MG 1 13 ARG H 3.500 . 5.000 2.690 2.134 3.034 . 0 0 "[ . 1 . 2]" 1
164 1 12 THR MG 1 39 ALA H 5.000 . 6.500 5.336 5.160 5.382 . 0 0 "[ . 1 . 2]" 1
165 1 12 THR MG 1 40 VAL H 5.000 . 6.500 4.454 4.007 4.858 . 0 0 "[ . 1 . 2]" 1
166 1 12 THR H 1 13 ARG H 5.000 . 5.000 4.161 3.929 4.381 . 0 0 "[ . 1 . 2]" 1
167 1 12 THR H 1 36 TYR QD 5.000 . 7.000 5.041 4.553 5.697 . 0 0 "[ . 1 . 2]" 1
168 1 12 THR H 1 36 TYR QE 5.000 . 7.000 4.154 3.744 4.930 . 0 0 "[ . 1 . 2]" 1
169 1 13 ARG HA 1 14 VAL H 2.900 . 2.900 2.164 2.136 2.281 . 0 0 "[ . 1 . 2]" 1
170 1 13 ARG QB 1 14 VAL H 5.000 . 6.000 3.231 2.658 3.647 . 0 0 "[ . 1 . 2]" 1
171 1 13 ARG H 1 13 ARG QD 5.000 . 6.000 3.820 2.477 4.786 . 0 0 "[ . 1 . 2]" 1
172 1 13 ARG QG 1 14 VAL H 5.000 . 6.000 4.020 2.237 4.458 . 0 0 "[ . 1 . 2]" 1
173 1 14 VAL HA 1 15 ASP H 2.900 . 2.900 2.164 2.140 2.244 . 0 0 "[ . 1 . 2]" 1
174 1 14 VAL H 1 14 VAL QG 3.500 . 5.200 2.399 2.033 2.766 . 0 0 "[ . 1 . 2]" 1
175 1 14 VAL QG 1 15 ASP H 5.000 . 7.400 3.019 2.339 3.573 . 0 0 "[ . 1 . 2]" 1
176 1 14 VAL QG 1 35 ARG H 5.000 . 7.400 4.347 3.762 4.823 . 0 0 "[ . 1 . 2]" 1
177 1 14 VAL QG 1 36 TYR H 5.000 . 7.400 3.344 2.906 3.681 . 0 0 "[ . 1 . 2]" 1
178 1 14 VAL QG 1 39 ALA H 5.000 . 7.400 4.510 4.149 4.821 . 0 0 "[ . 1 . 2]" 1
179 1 15 ASP HA 1 16 VAL H 2.900 . 2.900 2.243 2.185 2.271 . 0 0 "[ . 1 . 2]" 1
180 1 15 ASP H 1 15 ASP QB 3.500 . 4.100 2.346 2.075 2.692 . 0 0 "[ . 1 . 2]" 1
181 1 15 ASP QB 1 16 VAL H 5.000 . 6.000 2.932 2.730 3.445 . 0 0 "[ . 1 . 2]" 1
182 1 15 ASP H 1 16 VAL H 5.000 . 5.000 4.599 4.566 4.620 . 0 0 "[ . 1 . 2]" 1
183 1 16 VAL H 1 16 VAL HB 3.500 . 3.500 2.897 2.760 3.514 0.014 5 0 "[ . 1 . 2]" 1
184 1 16 VAL H 1 16 VAL QG 2.900 . 4.600 2.729 2.288 2.853 . 0 0 "[ . 1 . 2]" 1
185 1 16 VAL QG 1 31 GLN H 5.000 . 7.400 4.521 4.142 4.866 . 0 0 "[ . 1 . 2]" 1
186 1 16 VAL QG 1 32 ALA H 3.500 . 5.900 3.310 2.987 3.705 . 0 0 "[ . 1 . 2]" 1
187 1 16 VAL QG 1 35 ARG H 5.000 . 7.400 5.228 4.994 5.428 . 0 0 "[ . 1 . 2]" 1
188 1 16 VAL H 1 17 PRO QD 5.000 . 6.000 3.521 3.410 3.757 . 0 0 "[ . 1 . 2]" 1
189 1 17 PRO HA 1 18 CYS H 2.900 . 2.900 2.192 2.158 2.365 . 0 0 "[ . 1 . 2]" 1
190 1 17 PRO QB 1 18 CYS H 5.000 . 6.000 3.425 2.703 3.874 . 0 0 "[ . 1 . 2]" 1
191 1 17 PRO QD 1 18 CYS H 5.000 . 6.000 4.832 4.443 4.958 . 0 0 "[ . 1 . 2]" 1
192 1 17 PRO QG 1 18 CYS H 5.000 . 6.000 4.653 4.237 4.978 . 0 0 "[ . 1 . 2]" 1
193 1 18 CYS H 1 18 CYS HA 2.900 . 2.900 2.910 2.796 2.942 0.042 4 0 "[ . 1 . 2]" 1
194 1 18 CYS HA 1 19 GLY H 3.500 . 3.500 2.214 2.140 2.355 . 0 0 "[ . 1 . 2]" 1
195 1 18 CYS H 1 18 CYS QB 3.500 . 4.100 2.353 2.070 2.718 . 0 0 "[ . 1 . 2]" 1
196 1 18 CYS QB 1 19 GLY H 5.000 . 6.000 3.332 2.900 3.666 . 0 0 "[ . 1 . 2]" 1
197 1 18 CYS H 1 19 GLY QA 5.000 . 6.000 5.045 4.570 5.350 . 0 0 "[ . 1 . 2]" 1
198 1 18 CYS H 1 19 GLY H 5.000 . 5.000 4.521 4.309 4.619 . 0 0 "[ . 1 . 2]" 1
199 1 19 GLY QA 1 20 ASP H 3.500 . 4.500 2.602 2.311 2.845 . 0 0 "[ . 1 . 2]" 1
200 1 19 GLY QA 1 21 GLY H 5.000 . 6.000 4.286 3.899 4.522 . 0 0 "[ . 1 . 2]" 1
201 1 19 GLY H 1 20 ASP H 5.000 . 5.000 2.885 2.445 3.330 . 0 0 "[ . 1 . 2]" 1
202 1 20 ASP HA 1 21 GLY H 5.000 . 5.000 3.520 3.421 3.556 . 0 0 "[ . 1 . 2]" 1
203 1 20 ASP QB 1 21 GLY H 5.000 . 6.000 2.723 2.500 3.099 . 0 0 "[ . 1 . 2]" 1
204 1 20 ASP QB 1 22 ARG H 5.000 . 6.000 2.794 2.459 3.015 . 0 0 "[ . 1 . 2]" 1
205 1 20 ASP QB 1 23 MET H 5.000 . 6.000 5.304 4.958 5.420 . 0 0 "[ . 1 . 2]" 1
206 1 20 ASP H 1 21 GLY H 3.500 . 3.500 2.028 1.945 2.182 . 0 0 "[ . 1 . 2]" 1
207 1 20 ASP H 1 22 ARG QB 5.000 . 6.000 5.056 4.923 5.235 . 0 0 "[ . 1 . 2]" 1
208 1 20 ASP H 1 23 MET QB 5.000 . 6.000 5.116 4.957 5.280 . 0 0 "[ . 1 . 2]" 1
209 1 21 GLY QA 1 22 ARG H 3.500 . 4.500 2.904 2.880 2.930 . 0 0 "[ . 1 . 2]" 1
210 1 21 GLY QA 1 23 MET H 5.000 . 6.000 3.234 3.129 3.549 . 0 0 "[ . 1 . 2]" 1
211 1 21 GLY QA 1 68 CYS H 5.000 . 6.000 3.794 3.343 4.299 . 0 0 "[ . 1 . 2]" 1
212 1 21 GLY H 1 22 ARG HA 5.000 . 5.000 4.832 4.667 5.023 0.023 1 0 "[ . 1 . 2]" 1
213 1 21 GLY H 1 22 ARG QB 5.000 . 6.000 4.068 3.739 4.648 . 0 0 "[ . 1 . 2]" 1
214 1 21 GLY H 1 22 ARG QG 5.000 . 6.000 4.872 3.746 5.391 . 0 0 "[ . 1 . 2]" 1
215 1 21 GLY H 1 22 ARG H 3.500 . 3.500 2.123 1.925 2.496 . 0 0 "[ . 1 . 2]" 1
216 1 21 GLY H 1 23 MET QB 5.000 . 6.000 4.194 4.036 4.367 . 0 0 "[ . 1 . 2]" 1
217 1 21 GLY H 1 23 MET H 5.000 . 5.000 3.946 3.755 4.422 . 0 0 "[ . 1 . 2]" 1
218 1 21 GLY H 1 67 LEU QD 5.000 . 7.400 4.694 3.790 5.537 . 0 0 "[ . 1 . 2]" 1
219 1 22 ARG HA 1 23 MET H 2.900 . 2.900 2.866 2.593 2.934 0.034 19 0 "[ . 1 . 2]" 1
220 1 22 ARG HA 1 67 LEU H 5.000 . 5.000 4.103 3.535 4.573 . 0 0 "[ . 1 . 2]" 1
221 1 22 ARG HA 1 68 CYS H 5.000 . 5.000 3.886 3.188 4.549 . 0 0 "[ . 1 . 2]" 1
222 1 22 ARG H 1 22 ARG QB 2.900 . 3.500 2.266 2.131 2.704 . 0 0 "[ . 1 . 2]" 1
223 1 22 ARG QB 1 23 MET H 5.000 . 6.000 3.820 3.763 4.031 . 0 0 "[ . 1 . 2]" 1
224 1 22 ARG H 1 22 ARG QD 5.000 . 6.000 4.338 3.177 4.969 . 0 0 "[ . 1 . 2]" 1
225 1 22 ARG H 1 22 ARG QG 2.900 . 3.900 3.252 2.117 3.717 . 0 0 "[ . 1 . 2]" 1
226 1 22 ARG QG 1 23 MET H 5.000 . 6.000 4.513 3.683 4.655 . 0 0 "[ . 1 . 2]" 1
227 1 22 ARG H 1 23 MET H 5.000 . 5.000 2.890 2.710 3.472 . 0 0 "[ . 1 . 2]" 1
228 1 22 ARG H 1 66 ILE MG 5.000 . 6.500 4.590 4.193 5.020 . 0 0 "[ . 1 . 2]" 1
229 1 22 ARG H 1 67 LEU QD 5.000 . 7.400 5.013 4.339 5.540 . 0 0 "[ . 1 . 2]" 1
230 1 23 MET HA 1 24 LYS H 2.900 . 2.900 2.194 2.143 2.456 . 0 0 "[ . 1 . 2]" 1
231 1 23 MET H 1 23 MET QB 2.900 . 3.500 2.406 2.306 2.660 . 0 0 "[ . 1 . 2]" 1
232 1 23 MET QB 1 24 LYS H 3.500 . 4.500 3.587 3.021 3.842 . 0 0 "[ . 1 . 2]" 1
233 1 23 MET QB 1 27 SER H 5.000 . 6.000 5.206 4.933 5.326 . 0 0 "[ . 1 . 2]" 1
234 1 23 MET QB 1 28 LEU H 5.000 . 6.000 4.401 4.039 4.808 . 0 0 "[ . 1 . 2]" 1
235 1 23 MET QG 1 24 LYS H 5.000 . 6.000 2.848 1.949 3.686 . 0 0 "[ . 1 . 2]" 1
236 1 23 MET QG 1 27 SER H 5.000 . 6.000 3.988 3.601 4.624 . 0 0 "[ . 1 . 2]" 1
237 1 23 MET QG 1 28 LEU H 3.500 . 4.500 3.648 3.370 3.724 . 0 0 "[ . 1 . 2]" 1
238 1 23 MET H 1 24 LYS H 5.000 . 5.000 4.409 4.159 4.530 . 0 0 "[ . 1 . 2]" 1
239 1 23 MET H 1 66 ILE HA 5.000 . 5.000 5.011 5.000 5.023 0.023 7 0 "[ . 1 . 2]" 1
240 1 23 MET H 1 66 ILE MD 5.000 . 6.500 3.909 3.653 4.109 . 0 0 "[ . 1 . 2]" 1
241 1 23 MET H 1 66 ILE MG 2.900 . 4.400 3.281 3.002 3.459 . 0 0 "[ . 1 . 2]" 1
242 1 23 MET H 1 67 LEU QB 5.000 . 6.000 2.706 2.380 3.143 . 0 0 "[ . 1 . 2]" 1
243 1 23 MET H 1 67 LEU H 5.000 . 5.000 3.422 3.247 3.679 . 0 0 "[ . 1 . 2]" 1
244 1 24 LYS HA 1 25 VAL H 2.900 . 2.900 2.275 2.232 2.360 . 0 0 "[ . 1 . 2]" 1
245 1 24 LYS HA 1 26 PHE H 5.000 . 5.000 4.327 4.177 4.628 . 0 0 "[ . 1 . 2]" 1
246 1 24 LYS HA 1 27 SER H 5.000 . 5.000 4.636 4.473 4.771 . 0 0 "[ . 1 . 2]" 1
247 1 24 LYS HA 1 66 ILE H 5.000 . 5.000 4.307 4.105 4.509 . 0 0 "[ . 1 . 2]" 1
248 1 24 LYS HA 1 67 LEU H 5.000 . 5.000 3.277 2.998 3.702 . 0 0 "[ . 1 . 2]" 1
249 1 24 LYS H 1 24 LYS QB 2.900 . 3.500 2.327 2.073 2.673 . 0 0 "[ . 1 . 2]" 1
250 1 24 LYS QB 1 25 VAL H 5.000 . 6.000 2.854 2.525 3.440 . 0 0 "[ . 1 . 2]" 1
251 1 24 LYS QB 1 26 PHE H 5.000 . 6.000 2.790 2.500 3.151 . 0 0 "[ . 1 . 2]" 1
252 1 24 LYS QB 1 27 SER H 3.500 . 4.500 2.885 2.684 3.046 . 0 0 "[ . 1 . 2]" 1
253 1 24 LYS H 1 24 LYS QD 5.000 . 6.000 4.177 3.656 4.712 . 0 0 "[ . 1 . 2]" 1
254 1 24 LYS QD 1 25 VAL H 5.000 . 6.000 4.313 3.307 4.965 . 0 0 "[ . 1 . 2]" 1
255 1 24 LYS H 1 24 LYS QE 5.000 . 6.000 4.538 3.952 5.396 . 0 0 "[ . 1 . 2]" 1
256 1 24 LYS H 1 24 LYS QG 3.500 . 4.500 2.706 2.004 4.064 . 0 0 "[ . 1 . 2]" 1
257 1 24 LYS QG 1 25 VAL H 5.000 . 6.000 3.636 2.088 4.475 . 0 0 "[ . 1 . 2]" 1
258 1 24 LYS QG 1 26 PHE H 5.000 . 6.000 4.593 2.508 5.220 . 0 0 "[ . 1 . 2]" 1
259 1 24 LYS H 1 27 SER QB 5.000 . 6.000 3.240 2.865 4.036 . 0 0 "[ . 1 . 2]" 1
260 1 24 LYS H 1 27 SER H 5.000 . 5.000 4.244 3.836 4.402 . 0 0 "[ . 1 . 2]" 1
261 1 24 LYS H 1 66 ILE HA 5.000 . 5.000 4.251 4.016 4.585 . 0 0 "[ . 1 . 2]" 1
262 1 24 LYS H 1 66 ILE MD 5.000 . 6.500 3.225 2.808 3.584 . 0 0 "[ . 1 . 2]" 1
263 1 24 LYS H 1 66 ILE MG 5.000 . 6.500 4.638 4.393 4.867 . 0 0 "[ . 1 . 2]" 1
264 1 25 VAL HA 1 28 LEU H 5.000 . 5.000 3.171 3.059 3.395 . 0 0 "[ . 1 . 2]" 1
265 1 25 VAL HA 1 29 ILE H 5.000 . 5.000 4.042 3.842 4.458 . 0 0 "[ . 1 . 2]" 1
266 1 25 VAL H 1 25 VAL HB 3.500 . 3.500 2.724 2.595 3.555 0.055 3 0 "[ . 1 . 2]" 1
267 1 25 VAL HB 1 26 PHE H 3.500 . 3.500 2.534 2.305 2.926 . 0 0 "[ . 1 . 2]" 1
268 1 25 VAL HB 1 65 ASP H 5.000 . 5.000 3.668 2.954 5.013 0.013 3 0 "[ . 1 . 2]" 1
269 1 25 VAL H 1 25 VAL QG 2.900 . 4.600 2.050 1.846 2.140 . 0 0 "[ . 1 . 2]" 1
270 1 25 VAL QG 1 26 PHE H 3.500 . 5.900 3.149 1.962 3.275 . 0 0 "[ . 1 . 2]" 1
271 1 25 VAL QG 1 27 SER H 5.000 . 7.400 4.477 4.005 4.693 . 0 0 "[ . 1 . 2]" 1
272 1 25 VAL QG 1 28 LEU H 5.000 . 7.400 3.999 3.830 4.416 . 0 0 "[ . 1 . 2]" 1
273 1 25 VAL QG 1 29 ILE H 5.000 . 7.400 3.545 3.246 4.598 . 0 0 "[ . 1 . 2]" 1
274 1 25 VAL QG 1 63 LEU H 5.000 . 7.400 4.251 3.227 4.519 . 0 0 "[ . 1 . 2]" 1
275 1 25 VAL QG 1 64 ASP H 5.000 . 7.400 3.088 1.889 3.645 . 0 0 "[ . 1 . 2]" 1
276 1 25 VAL QG 1 65 ASP H 3.500 . 5.900 2.810 2.217 3.542 . 0 0 "[ . 1 . 2]" 1
277 1 25 VAL H 1 26 PHE H 5.000 . 5.000 2.889 2.808 2.993 . 0 0 "[ . 1 . 2]" 1
278 1 25 VAL H 1 27 SER H 5.000 . 5.000 4.315 4.060 4.536 . 0 0 "[ . 1 . 2]" 1
279 1 25 VAL H 1 28 LEU H 5.000 . 5.000 4.801 4.741 4.913 . 0 0 "[ . 1 . 2]" 1
280 1 25 VAL H 1 63 LEU HA 5.000 . 5.000 4.385 4.164 4.626 . 0 0 "[ . 1 . 2]" 1
281 1 25 VAL H 1 65 ASP H 5.000 . 5.000 3.724 2.933 4.817 . 0 0 "[ . 1 . 2]" 1
282 1 25 VAL H 1 66 ILE HA 5.000 . 5.000 3.423 3.004 3.625 . 0 0 "[ . 1 . 2]" 1
283 1 26 PHE HA 1 27 SER H 3.500 . 3.500 3.525 3.482 3.555 0.055 18 0 "[ . 1 . 2]" 1
284 1 26 PHE HA 1 29 ILE H 5.000 . 5.000 3.506 3.322 3.655 . 0 0 "[ . 1 . 2]" 1
285 1 26 PHE H 1 26 PHE QB 3.500 . 4.100 2.224 2.154 2.254 . 0 0 "[ . 1 . 2]" 1
286 1 26 PHE QB 1 27 SER H 5.000 . 6.000 2.622 2.371 2.842 . 0 0 "[ . 1 . 2]" 1
287 1 26 PHE QB 1 63 LEU H 5.000 . 6.000 4.993 4.881 5.077 . 0 0 "[ . 1 . 2]" 1
288 1 26 PHE H 1 26 PHE QD 5.000 . 7.000 4.131 3.974 4.186 . 0 0 "[ . 1 . 2]" 1
289 1 26 PHE QD 1 27 SER H 5.000 . 7.000 3.806 3.172 4.450 . 0 0 "[ . 1 . 2]" 1
290 1 26 PHE H 1 27 SER H 5.000 . 5.000 2.837 2.785 2.908 . 0 0 "[ . 1 . 2]" 1
291 1 26 PHE H 1 28 LEU H 5.000 . 5.000 4.153 3.973 4.473 . 0 0 "[ . 1 . 2]" 1
292 1 26 PHE H 1 29 ILE HG13 5.000 . 5.000 4.134 3.877 4.289 . 0 0 "[ . 1 . 2]" 1
293 1 26 PHE H 1 29 ILE H 5.000 . 5.000 4.714 4.651 4.762 . 0 0 "[ . 1 . 2]" 1
294 1 26 PHE H 1 63 LEU HA 5.000 . 5.000 2.700 2.574 2.836 . 0 0 "[ . 1 . 2]" 1
295 1 26 PHE H 1 63 LEU QB 5.000 . 6.000 3.360 2.865 3.704 . 0 0 "[ . 1 . 2]" 1
296 1 26 PHE H 1 63 LEU QD 5.000 . 7.400 4.112 3.422 4.523 . 0 0 "[ . 1 . 2]" 1
297 1 26 PHE H 1 64 ASP HA 5.000 . 5.000 4.413 3.924 4.831 . 0 0 "[ . 1 . 2]" 1
298 1 27 SER HA 1 28 LEU H 5.000 . 5.000 3.514 3.483 3.568 . 0 0 "[ . 1 . 2]" 1
299 1 27 SER HA 1 30 GLN H 5.000 . 5.000 3.602 3.483 3.784 . 0 0 "[ . 1 . 2]" 1
300 1 27 SER HA 1 31 GLN H 5.000 . 5.000 4.209 4.099 4.373 . 0 0 "[ . 1 . 2]" 1
301 1 27 SER H 1 27 SER QB 2.900 . 3.500 2.309 2.093 2.941 . 0 0 "[ . 1 . 2]" 1
302 1 27 SER QB 1 28 LEU H 2.900 . 3.900 2.762 2.498 3.261 . 0 0 "[ . 1 . 2]" 1
303 1 27 SER H 1 28 LEU QB 5.000 . 6.000 4.314 4.170 4.936 . 0 0 "[ . 1 . 2]" 1
304 1 27 SER H 1 28 LEU H 2.900 . 2.900 2.504 2.442 2.700 . 0 0 "[ . 1 . 2]" 1
305 1 27 SER H 1 29 ILE H 5.000 . 5.000 4.007 3.869 4.122 . 0 0 "[ . 1 . 2]" 1
306 1 27 SER H 1 30 GLN H 5.000 . 5.000 4.857 4.671 5.015 0.015 18 0 "[ . 1 . 2]" 1
307 1 28 LEU HA 1 29 ILE H 5.000 . 5.000 3.522 3.496 3.536 . 0 0 "[ . 1 . 2]" 1
308 1 28 LEU HA 1 31 GLN H 3.500 . 3.500 3.522 3.507 3.546 0.046 8 0 "[ . 1 . 2]" 1
309 1 28 LEU H 1 28 LEU QB 2.900 . 3.500 2.254 2.155 2.660 . 0 0 "[ . 1 . 2]" 1
310 1 28 LEU QB 1 29 ILE H 3.500 . 4.500 2.761 2.547 3.494 . 0 0 "[ . 1 . 2]" 1
311 1 28 LEU H 1 28 LEU QD 3.500 . 5.200 3.591 2.935 3.748 . 0 0 "[ . 1 . 2]" 1
312 1 28 LEU QD 1 29 ILE H 2.900 . 5.300 3.527 2.436 3.973 . 0 0 "[ . 1 . 2]" 1
313 1 28 LEU H 1 28 LEU HG 5.000 . 5.000 4.176 1.950 4.600 . 0 0 "[ . 1 . 2]" 1
314 1 28 LEU HG 1 29 ILE H 5.000 . 5.000 4.077 2.007 5.013 0.013 11 0 "[ . 1 . 2]" 1
315 1 28 LEU H 1 29 ILE HG13 5.000 . 5.000 3.999 3.870 4.053 . 0 0 "[ . 1 . 2]" 1
316 1 28 LEU H 1 29 ILE HG12 5.000 . 5.000 5.046 5.016 5.075 0.075 5 0 "[ . 1 . 2]" 1
317 1 28 LEU H 1 29 ILE H 3.500 . 3.500 2.552 2.521 2.596 . 0 0 "[ . 1 . 2]" 1
318 1 28 LEU H 1 30 GLN H 5.000 . 5.000 4.243 4.079 4.468 . 0 0 "[ . 1 . 2]" 1
319 1 28 LEU H 1 31 GLN H 5.000 . 5.000 4.774 4.668 4.957 . 0 0 "[ . 1 . 2]" 1
320 1 29 ILE HA 1 30 GLN H 5.000 . 5.000 3.556 3.539 3.566 . 0 0 "[ . 1 . 2]" 1
321 1 29 ILE HA 1 31 GLN H 5.000 . 5.000 4.356 4.226 4.567 . 0 0 "[ . 1 . 2]" 1
322 1 29 ILE HA 1 32 ALA H 5.000 . 5.000 3.465 3.355 3.550 . 0 0 "[ . 1 . 2]" 1
323 1 29 ILE H 1 29 ILE HB 2.900 . 2.900 2.639 2.601 2.693 . 0 0 "[ . 1 . 2]" 1
324 1 29 ILE HB 1 30 GLN H 3.500 . 3.500 2.438 2.311 2.581 . 0 0 "[ . 1 . 2]" 1
325 1 29 ILE HB 1 31 GLN H 5.000 . 5.000 4.881 4.755 4.987 . 0 0 "[ . 1 . 2]" 1
326 1 29 ILE H 1 29 ILE MD 2.900 . 4.400 3.740 3.654 3.767 . 0 0 "[ . 1 . 2]" 1
327 1 29 ILE MD 1 30 GLN H 5.000 . 6.500 4.623 4.516 4.721 . 0 0 "[ . 1 . 2]" 1
328 1 29 ILE MD 1 53 LEU H 5.000 . 6.500 3.641 3.341 4.160 . 0 0 "[ . 1 . 2]" 1
329 1 29 ILE H 1 29 ILE HG13 3.500 . 3.500 2.108 1.986 2.157 . 0 0 "[ . 1 . 2]" 1
330 1 29 ILE HG13 1 30 GLN H 5.000 . 5.000 3.975 3.871 4.026 . 0 0 "[ . 1 . 2]" 1
331 1 29 ILE H 1 29 ILE HG12 3.500 . 3.500 2.877 2.822 2.949 . 0 0 "[ . 1 . 2]" 1
332 1 29 ILE HG12 1 30 GLN H 5.000 . 5.000 4.675 4.643 4.709 . 0 0 "[ . 1 . 2]" 1
333 1 29 ILE H 1 29 ILE MG 2.900 . 4.400 3.766 3.760 3.769 . 0 0 "[ . 1 . 2]" 1
334 1 29 ILE MG 1 30 GLN H 3.500 . 5.000 3.500 3.339 3.628 . 0 0 "[ . 1 . 2]" 1
335 1 29 ILE H 1 30 GLN H 3.500 . 3.500 2.686 2.605 2.760 . 0 0 "[ . 1 . 2]" 1
336 1 29 ILE H 1 31 GLN H 5.000 . 5.000 4.033 3.928 4.148 . 0 0 "[ . 1 . 2]" 1
337 1 29 ILE H 1 32 ALA H 5.000 . 5.000 4.679 4.577 4.794 . 0 0 "[ . 1 . 2]" 1
338 1 30 GLN H 1 30 GLN HA 2.900 . 2.900 2.801 2.786 2.824 . 0 0 "[ . 1 . 2]" 1
339 1 30 GLN HA 1 31 GLN H 3.500 . 3.500 3.526 3.507 3.544 0.044 10 0 "[ . 1 . 2]" 1
340 1 30 GLN HA 1 33 VAL H 5.000 . 5.000 3.544 3.318 3.734 . 0 0 "[ . 1 . 2]" 1
341 1 30 GLN H 1 30 GLN QB 2.900 . 3.500 2.176 2.042 2.473 . 0 0 "[ . 1 . 2]" 1
342 1 30 GLN QB 1 31 GLN H 2.900 . 3.900 2.698 2.477 3.502 . 0 0 "[ . 1 . 2]" 1
343 1 30 GLN H 1 30 GLN QG 3.500 . 4.500 3.455 2.335 4.047 . 0 0 "[ . 1 . 2]" 1
344 1 30 GLN QG 1 31 GLN H 5.000 . 6.000 4.147 1.987 4.533 . 0 0 "[ . 1 . 2]" 1
345 1 30 GLN H 1 31 GLN H 3.500 . 3.500 2.694 2.607 2.754 . 0 0 "[ . 1 . 2]" 1
346 1 30 GLN H 1 32 ALA MB 5.000 . 6.500 4.986 4.760 5.186 . 0 0 "[ . 1 . 2]" 1
347 1 30 GLN H 1 32 ALA H 5.000 . 5.000 4.215 4.041 4.398 . 0 0 "[ . 1 . 2]" 1
348 1 31 GLN HA 1 31 GLN HE21 5.000 . 5.000 3.118 2.003 4.132 . 0 0 "[ . 1 . 2]" 1
349 1 31 GLN HA 1 31 GLN HE22 5.000 . 5.000 4.096 3.454 4.863 . 0 0 "[ . 1 . 2]" 1
350 1 31 GLN HA 1 32 ALA H 5.000 . 5.000 3.538 3.514 3.556 . 0 0 "[ . 1 . 2]" 1
351 1 31 GLN HA 1 34 THR H 5.000 . 5.000 3.845 3.661 4.013 . 0 0 "[ . 1 . 2]" 1
352 1 31 GLN H 1 31 GLN QB 3.500 . 4.100 2.165 2.052 2.425 . 0 0 "[ . 1 . 2]" 1
353 1 31 GLN QB 1 32 ALA H 3.500 . 4.500 2.626 2.467 2.760 . 0 0 "[ . 1 . 2]" 1
354 1 31 GLN H 1 31 GLN QG 2.900 . 3.900 3.044 2.260 3.570 . 0 0 "[ . 1 . 2]" 1
355 1 31 GLN QG 1 32 ALA H 5.000 . 6.000 4.355 4.010 4.571 . 0 0 "[ . 1 . 2]" 1
356 1 31 GLN H 1 32 ALA MB 5.000 . 6.500 4.293 4.185 4.359 . 0 0 "[ . 1 . 2]" 1
357 1 31 GLN H 1 32 ALA H 3.500 . 3.500 2.622 2.561 2.690 . 0 0 "[ . 1 . 2]" 1
358 1 31 GLN H 1 33 VAL H 5.000 . 5.000 4.066 3.977 4.194 . 0 0 "[ . 1 . 2]" 1
359 1 32 ALA HA 1 33 VAL H 5.000 . 5.000 3.539 3.512 3.558 . 0 0 "[ . 1 . 2]" 1
360 1 32 ALA HA 1 35 ARG H 3.500 . 3.500 3.475 3.370 3.516 0.016 12 0 "[ . 1 . 2]" 1
361 1 32 ALA H 1 32 ALA MB 2.900 . 4.000 2.185 2.035 2.257 . 0 0 "[ . 1 . 2]" 1
362 1 32 ALA MB 1 33 VAL H 3.500 . 5.000 2.570 2.375 2.712 . 0 0 "[ . 1 . 2]" 1
363 1 32 ALA MB 1 34 THR H 5.000 . 6.500 4.685 4.554 4.798 . 0 0 "[ . 1 . 2]" 1
364 1 32 ALA H 1 33 VAL QG 5.000 . 7.400 4.055 3.858 4.467 . 0 0 "[ . 1 . 2]" 1
365 1 32 ALA H 1 33 VAL H 3.500 . 3.500 2.598 2.478 2.717 . 0 0 "[ . 1 . 2]" 1
366 1 32 ALA H 1 34 THR H 5.000 . 5.000 4.320 4.128 4.456 . 0 0 "[ . 1 . 2]" 1
367 1 33 VAL HA 1 34 THR H 5.000 . 5.000 3.556 3.535 3.565 . 0 0 "[ . 1 . 2]" 1
368 1 33 VAL HA 1 36 TYR H 5.000 . 5.000 3.453 3.345 3.593 . 0 0 "[ . 1 . 2]" 1
369 1 33 VAL HA 1 37 ARG H 5.000 . 5.000 4.273 4.114 4.433 . 0 0 "[ . 1 . 2]" 1
370 1 33 VAL H 1 33 VAL HB 2.900 . 2.900 2.502 2.161 2.612 . 0 0 "[ . 1 . 2]" 1
371 1 33 VAL HB 1 34 THR H 3.500 . 3.500 2.538 2.272 3.447 . 0 0 "[ . 1 . 2]" 1
372 1 33 VAL H 1 33 VAL QG 2.900 . 4.600 2.199 1.992 2.801 . 0 0 "[ . 1 . 2]" 1
373 1 33 VAL QG 1 34 THR H 5.000 . 7.400 2.897 1.924 3.140 . 0 0 "[ . 1 . 2]" 1
374 1 33 VAL QG 1 37 ARG H 5.000 . 7.400 3.992 3.880 4.122 . 0 0 "[ . 1 . 2]" 1
375 1 33 VAL QG 1 50 VAL H 5.000 . 7.400 4.072 3.464 4.306 . 0 0 "[ . 1 . 2]" 1
376 1 33 VAL H 1 34 THR HB 5.000 . 5.000 4.970 4.869 5.013 0.013 18 0 "[ . 1 . 2]" 1
377 1 33 VAL H 1 34 THR H 3.500 . 3.500 2.807 2.677 2.893 . 0 0 "[ . 1 . 2]" 1
378 1 33 VAL H 1 50 VAL QG 5.000 . 7.400 4.189 3.811 4.375 . 0 0 "[ . 1 . 2]" 1
379 1 34 THR HA 1 35 ARG H 5.000 . 5.000 3.544 3.531 3.556 . 0 0 "[ . 1 . 2]" 1
380 1 34 THR HA 1 37 ARG H 5.000 . 5.000 3.753 3.634 3.855 . 0 0 "[ . 1 . 2]" 1
381 1 34 THR H 1 34 THR HB 2.900 . 2.900 2.548 2.489 2.624 . 0 0 "[ . 1 . 2]" 1
382 1 34 THR HB 1 35 ARG H 3.500 . 3.500 2.521 2.412 2.587 . 0 0 "[ . 1 . 2]" 1
383 1 34 THR H 1 34 THR MG 3.500 . 5.000 3.751 3.745 3.753 . 0 0 "[ . 1 . 2]" 1
384 1 34 THR MG 1 35 ARG H 5.000 . 6.500 3.498 3.371 3.602 . 0 0 "[ . 1 . 2]" 1
385 1 34 THR MG 1 36 TYR H 5.000 . 6.500 4.959 4.857 5.144 . 0 0 "[ . 1 . 2]" 1
386 1 34 THR H 1 35 ARG QB 5.000 . 6.000 4.467 4.332 4.677 . 0 0 "[ . 1 . 2]" 1
387 1 34 THR H 1 35 ARG H 5.000 . 5.000 2.724 2.608 2.768 . 0 0 "[ . 1 . 2]" 1
388 1 34 THR H 1 36 TYR H 5.000 . 5.000 4.003 3.847 4.188 . 0 0 "[ . 1 . 2]" 1
389 1 34 THR H 1 50 VAL QG 5.000 . 7.400 5.362 5.253 5.417 . 0 0 "[ . 1 . 2]" 1
390 1 35 ARG HA 1 36 TYR H 5.000 . 5.000 3.501 3.472 3.535 . 0 0 "[ . 1 . 2]" 1
391 1 35 ARG HA 1 38 LYS H 5.000 . 5.000 3.587 3.472 3.744 . 0 0 "[ . 1 . 2]" 1
392 1 35 ARG H 1 35 ARG QB 2.900 . 3.500 2.160 2.040 2.412 . 0 0 "[ . 1 . 2]" 1
393 1 35 ARG QB 1 36 TYR H 5.000 . 6.000 2.796 2.534 2.961 . 0 0 "[ . 1 . 2]" 1
394 1 35 ARG H 1 35 ARG QD 5.000 . 6.000 4.257 2.929 4.805 . 0 0 "[ . 1 . 2]" 1
395 1 35 ARG QG 1 36 TYR H 5.000 . 6.000 4.329 3.909 4.618 . 0 0 "[ . 1 . 2]" 1
396 1 35 ARG H 1 36 TYR QB 5.000 . 6.000 4.334 4.231 4.407 . 0 0 "[ . 1 . 2]" 1
397 1 35 ARG H 1 36 TYR H 3.500 . 3.500 2.611 2.507 2.693 . 0 0 "[ . 1 . 2]" 1
398 1 35 ARG H 1 37 ARG H 5.000 . 5.000 4.599 4.475 4.663 . 0 0 "[ . 1 . 2]" 1
399 1 35 ARG H 1 38 LYS H 5.000 . 5.000 4.921 4.831 5.015 0.015 14 0 "[ . 1 . 2]" 1
400 1 36 TYR HA 1 37 ARG H 5.000 . 5.000 3.572 3.564 3.580 . 0 0 "[ . 1 . 2]" 1
401 1 36 TYR HA 1 38 LYS H 5.000 . 5.000 4.480 4.233 4.766 . 0 0 "[ . 1 . 2]" 1
402 1 36 TYR HA 1 39 ALA H 5.000 . 5.000 3.412 3.276 3.543 . 0 0 "[ . 1 . 2]" 1
403 1 36 TYR HA 1 40 VAL H 5.000 . 5.000 3.982 3.712 4.253 . 0 0 "[ . 1 . 2]" 1
404 1 36 TYR H 1 36 TYR QB 3.500 . 4.100 2.205 2.179 2.225 . 0 0 "[ . 1 . 2]" 1
405 1 36 TYR QB 1 37 ARG H 5.000 . 6.000 2.373 2.318 2.436 . 0 0 "[ . 1 . 2]" 1
406 1 36 TYR H 1 36 TYR QD 5.000 . 7.000 4.132 4.079 4.183 . 0 0 "[ . 1 . 2]" 1
407 1 36 TYR QD 1 37 ARG H 5.000 . 7.000 2.765 2.286 3.378 . 0 0 "[ . 1 . 2]" 1
408 1 36 TYR QD 1 39 ALA H 5.000 . 7.000 5.147 4.743 5.516 . 0 0 "[ . 1 . 2]" 1
409 1 36 TYR QD 1 40 VAL H 5.000 . 7.000 4.675 4.073 4.946 . 0 0 "[ . 1 . 2]" 1
410 1 36 TYR H 1 37 ARG H 3.500 . 3.500 2.834 2.766 2.889 . 0 0 "[ . 1 . 2]" 1
411 1 36 TYR H 1 38 LYS H 5.000 . 5.000 4.074 3.842 4.412 . 0 0 "[ . 1 . 2]" 1
412 1 36 TYR H 1 39 ALA H 5.000 . 5.000 4.485 4.409 4.587 . 0 0 "[ . 1 . 2]" 1
413 1 37 ARG HA 1 38 LYS H 5.000 . 5.000 3.538 3.496 3.570 . 0 0 "[ . 1 . 2]" 1
414 1 37 ARG HA 1 39 ALA H 5.000 . 5.000 4.250 4.062 4.693 . 0 0 "[ . 1 . 2]" 1
415 1 37 ARG HA 1 40 VAL H 5.000 . 5.000 3.554 3.331 3.877 . 0 0 "[ . 1 . 2]" 1
416 1 37 ARG HA 1 41 ALA H 5.000 . 5.000 4.833 4.485 5.016 0.016 14 0 "[ . 1 . 2]" 1
417 1 37 ARG HA 1 42 LYS H 5.000 . 5.000 3.551 3.216 4.324 . 0 0 "[ . 1 . 2]" 1
418 1 37 ARG H 1 37 ARG QB 2.900 . 3.500 2.290 2.042 2.689 . 0 0 "[ . 1 . 2]" 1
419 1 37 ARG QB 1 38 LYS H 5.000 . 6.000 2.809 2.325 3.514 . 0 0 "[ . 1 . 2]" 1
420 1 37 ARG QG 1 38 LYS H 5.000 . 6.000 3.467 1.932 4.400 . 0 0 "[ . 1 . 2]" 1
421 1 37 ARG H 1 38 LYS H 3.500 . 3.500 2.790 2.675 2.939 . 0 0 "[ . 1 . 2]" 1
422 1 37 ARG H 1 39 ALA H 5.000 . 5.000 4.030 3.845 4.335 . 0 0 "[ . 1 . 2]" 1
423 1 37 ARG H 1 40 VAL QG 5.000 . 7.400 3.823 3.566 4.225 . 0 0 "[ . 1 . 2]" 1
424 1 37 ARG H 1 40 VAL H 5.000 . 5.000 4.712 4.621 4.822 . 0 0 "[ . 1 . 2]" 1
425 1 37 ARG H 1 42 LYS QD 5.000 . 6.000 5.273 5.101 5.440 . 0 0 "[ . 1 . 2]" 1
426 1 37 ARG H 1 48 ILE MD 5.000 . 6.500 4.117 3.769 4.312 . 0 0 "[ . 1 . 2]" 1
427 1 38 LYS H 1 38 LYS HA 2.900 . 2.900 2.849 2.835 2.854 . 0 0 "[ . 1 . 2]" 1
428 1 38 LYS HA 1 39 ALA H 5.000 . 5.000 3.487 3.427 3.553 . 0 0 "[ . 1 . 2]" 1
429 1 38 LYS H 1 38 LYS QB 2.900 . 3.500 2.262 2.059 2.510 . 0 0 "[ . 1 . 2]" 1
430 1 38 LYS QB 1 39 ALA H 2.900 . 3.900 2.853 2.518 3.077 . 0 0 "[ . 1 . 2]" 1
431 1 38 LYS QB 1 40 VAL H 5.000 . 6.000 4.779 4.616 5.008 . 0 0 "[ . 1 . 2]" 1
432 1 38 LYS QB 1 41 ALA H 5.000 . 6.000 4.902 4.615 5.162 . 0 0 "[ . 1 . 2]" 1
433 1 38 LYS H 1 38 LYS QD 5.000 . 6.000 3.706 2.156 4.359 . 0 0 "[ . 1 . 2]" 1
434 1 38 LYS H 1 38 LYS QE 5.000 . 6.000 3.494 2.828 4.470 . 0 0 "[ . 1 . 2]" 1
435 1 38 LYS H 1 38 LYS QG 3.500 . 4.500 3.009 2.060 4.077 . 0 0 "[ . 1 . 2]" 1
436 1 38 LYS H 1 39 ALA H 2.900 . 2.900 2.528 2.491 2.599 . 0 0 "[ . 1 . 2]" 1
437 1 38 LYS H 1 40 VAL QG 5.000 . 7.400 4.087 3.758 4.478 . 0 0 "[ . 1 . 2]" 1
438 1 38 LYS H 1 40 VAL H 5.000 . 5.000 4.084 3.924 4.331 . 0 0 "[ . 1 . 2]" 1
439 1 39 ALA H 1 39 ALA HA 2.900 . 2.900 2.871 2.808 2.893 . 0 0 "[ . 1 . 2]" 1
440 1 39 ALA HA 1 40 VAL H 5.000 . 5.000 3.508 3.469 3.555 . 0 0 "[ . 1 . 2]" 1
441 1 39 ALA HA 1 41 ALA H 5.000 . 5.000 3.721 3.589 3.903 . 0 0 "[ . 1 . 2]" 1
442 1 39 ALA H 1 39 ALA MB 2.900 . 4.000 2.210 2.094 2.282 . 0 0 "[ . 1 . 2]" 1
443 1 39 ALA MB 1 40 VAL H 3.500 . 5.000 2.713 2.482 2.845 . 0 0 "[ . 1 . 2]" 1
444 1 39 ALA MB 1 41 ALA H 5.000 . 6.500 4.252 4.156 4.357 . 0 0 "[ . 1 . 2]" 1
445 1 39 ALA H 1 40 VAL QG 5.000 . 7.400 3.586 3.358 3.784 . 0 0 "[ . 1 . 2]" 1
446 1 39 ALA H 1 40 VAL H 3.500 . 3.500 2.451 2.350 2.733 . 0 0 "[ . 1 . 2]" 1
447 1 39 ALA H 1 41 ALA H 5.000 . 5.000 3.856 3.724 4.005 . 0 0 "[ . 1 . 2]" 1
448 1 40 VAL HA 1 41 ALA H 3.500 . 3.500 3.208 3.046 3.405 . 0 0 "[ . 1 . 2]" 1
449 1 40 VAL HB 1 41 ALA H 5.000 . 5.000 4.389 4.085 4.543 . 0 0 "[ . 1 . 2]" 1
450 1 40 VAL H 1 40 VAL QG 2.900 . 4.600 1.941 1.854 2.212 . 0 0 "[ . 1 . 2]" 1
451 1 40 VAL QG 1 41 ALA H 5.000 . 7.400 2.990 2.485 3.275 . 0 0 "[ . 1 . 2]" 1
452 1 40 VAL QG 1 42 LYS H 5.000 . 7.400 2.544 2.168 3.748 . 0 0 "[ . 1 . 2]" 1
453 1 40 VAL QG 1 43 ASP H 5.000 . 7.400 4.763 4.576 5.251 . 0 0 "[ . 1 . 2]" 1
454 1 40 VAL H 1 41 ALA HA 5.000 . 5.000 4.727 4.555 4.924 . 0 0 "[ . 1 . 2]" 1
455 1 40 VAL H 1 41 ALA H 2.900 . 2.900 2.559 2.348 2.685 . 0 0 "[ . 1 . 2]" 1
456 1 40 VAL H 1 42 LYS H 5.000 . 5.000 3.739 3.375 4.719 . 0 0 "[ . 1 . 2]" 1
457 1 41 ALA H 1 41 ALA HA 2.900 . 2.900 2.276 2.271 2.288 . 0 0 "[ . 1 . 2]" 1
458 1 41 ALA HA 1 42 LYS H 3.500 . 3.500 2.804 2.262 3.001 . 0 0 "[ . 1 . 2]" 1
459 1 41 ALA H 1 41 ALA MB 2.900 . 4.000 2.889 2.768 2.987 . 0 0 "[ . 1 . 2]" 1
460 1 41 ALA MB 1 42 LYS H 5.000 . 6.500 3.663 3.587 3.722 . 0 0 "[ . 1 . 2]" 1
461 1 41 ALA H 1 42 LYS H 5.000 . 5.000 2.697 2.420 3.488 . 0 0 "[ . 1 . 2]" 1
462 1 42 LYS HA 1 43 ASP H 2.900 . 2.900 2.660 2.630 2.731 . 0 0 "[ . 1 . 2]" 1
463 1 42 LYS H 1 42 LYS QB 3.500 . 4.100 2.314 2.180 2.737 . 0 0 "[ . 1 . 2]" 1
464 1 42 LYS QB 1 43 ASP H 5.000 . 6.000 1.938 1.860 1.965 . 0 0 "[ . 1 . 2]" 1
465 1 42 LYS QB 1 46 TYR H 5.000 . 6.000 5.040 5.021 5.069 . 0 0 "[ . 1 . 2]" 1
466 1 42 LYS H 1 42 LYS QD 5.000 . 6.000 4.030 3.747 4.285 . 0 0 "[ . 1 . 2]" 1
467 1 42 LYS QD 1 43 ASP H 5.000 . 6.000 4.162 3.867 4.412 . 0 0 "[ . 1 . 2]" 1
468 1 42 LYS QG 1 43 ASP H 5.000 . 6.000 3.118 2.701 3.457 . 0 0 "[ . 1 . 2]" 1
469 1 42 LYS H 1 43 ASP H 5.000 . 5.000 4.425 4.340 4.463 . 0 0 "[ . 1 . 2]" 1
470 1 43 ASP H 1 43 ASP HA 2.900 . 2.900 2.903 2.865 2.924 0.024 10 0 "[ . 1 . 2]" 1
471 1 43 ASP H 1 43 ASP QB 3.500 . 4.100 2.685 2.580 2.809 . 0 0 "[ . 1 . 2]" 1
472 1 43 ASP QB 1 45 ASN H 5.000 . 6.000 2.402 2.187 3.706 . 0 0 "[ . 1 . 2]" 1
473 1 43 ASP QB 1 46 TYR H 5.000 . 6.000 4.483 4.293 5.021 . 0 0 "[ . 1 . 2]" 1
474 1 43 ASP H 1 44 PRO QD 5.000 . 6.000 4.360 4.345 4.376 . 0 0 "[ . 1 . 2]" 1
475 1 43 ASP H 1 46 TYR QB 5.000 . 6.000 5.096 4.916 5.182 . 0 0 "[ . 1 . 2]" 1
476 1 43 ASP H 1 46 TYR QD 5.000 . 7.000 3.083 2.837 3.415 . 0 0 "[ . 1 . 2]" 1
477 1 43 ASP H 1 46 TYR QE 5.000 . 7.000 2.835 2.583 3.133 . 0 0 "[ . 1 . 2]" 1
478 1 44 PRO HA 1 45 ASN H 5.000 . 5.000 3.330 2.600 3.438 . 0 0 "[ . 1 . 2]" 1
479 1 44 PRO HA 1 46 TYR H 5.000 . 5.000 4.040 3.598 4.922 . 0 0 "[ . 1 . 2]" 1
480 1 44 PRO QB 1 45 ASN H 5.000 . 6.000 3.434 3.170 3.994 . 0 0 "[ . 1 . 2]" 1
481 1 44 PRO QD 1 45 ASN H 5.000 . 6.000 2.963 2.708 4.178 . 0 0 "[ . 1 . 2]" 1
482 1 44 PRO QG 1 45 ASN H 5.000 . 6.000 3.827 3.048 4.493 . 0 0 "[ . 1 . 2]" 1
483 1 45 ASN H 1 45 ASN HA 2.900 . 2.900 2.746 2.704 2.941 0.041 16 0 "[ . 1 . 2]" 1
484 1 45 ASN HA 1 46 TYR H 3.500 . 3.500 3.530 3.448 3.562 0.062 7 0 "[ . 1 . 2]" 1
485 1 45 ASN H 1 45 ASN QB 3.500 . 4.100 2.426 2.059 3.007 . 0 0 "[ . 1 . 2]" 1
486 1 45 ASN QB 1 46 TYR H 5.000 . 6.000 2.793 1.971 3.503 . 0 0 "[ . 1 . 2]" 1
487 1 45 ASN H 1 45 ASN HD21 5.000 . 5.000 3.410 2.023 4.656 . 0 0 "[ . 1 . 2]" 1
488 1 45 ASN H 1 45 ASN HD22 5.000 . 5.000 4.120 3.368 4.966 . 0 0 "[ . 1 . 2]" 1
489 1 45 ASN H 1 46 TYR QB 5.000 . 6.000 5.062 4.176 5.232 . 0 0 "[ . 1 . 2]" 1
490 1 45 ASN H 1 46 TYR QD 5.000 . 7.000 3.734 2.681 3.980 . 0 0 "[ . 1 . 2]" 1
491 1 45 ASN H 1 46 TYR H 3.500 . 3.500 2.870 1.842 3.186 . 0 0 "[ . 1 . 2]" 1
492 1 46 TYR HA 1 47 TRP H 2.900 . 2.900 2.314 2.222 2.417 . 0 0 "[ . 1 . 2]" 1
493 1 46 TYR HA 1 84 GLN HE21 5.000 . 5.000 4.134 3.063 5.002 0.002 13 0 "[ . 1 . 2]" 1
494 1 46 TYR HA 1 84 GLN H 5.000 . 5.000 4.458 4.148 4.742 . 0 0 "[ . 1 . 2]" 1
495 1 46 TYR H 1 46 TYR QB 2.900 . 3.500 2.568 2.304 2.754 . 0 0 "[ . 1 . 2]" 1
496 1 46 TYR QB 1 47 TRP H 5.000 . 6.000 2.764 2.512 2.996 . 0 0 "[ . 1 . 2]" 1
497 1 46 TYR QD 1 85 ASP H 5.000 . 7.000 3.650 3.041 4.025 . 0 0 "[ . 1 . 2]" 1
498 1 46 TYR H 1 46 TYR QD 5.000 . 7.000 1.885 1.830 1.940 . 0 0 "[ . 1 . 2]" 1
499 1 46 TYR QD 1 47 TRP H 5.000 . 7.000 3.661 3.355 4.174 . 0 0 "[ . 1 . 2]" 1
500 1 46 TYR QD 1 84 GLN H 5.000 . 7.000 2.059 1.935 2.647 . 0 0 "[ . 1 . 2]" 1
501 1 46 TYR QE 1 85 ASP H 5.000 . 7.000 5.114 4.581 5.403 . 0 0 "[ . 1 . 2]" 1
502 1 46 TYR H 1 46 TYR QE 5.000 . 7.000 4.109 3.926 4.278 . 0 0 "[ . 1 . 2]" 1
503 1 46 TYR QE 1 84 GLN H 5.000 . 7.000 3.930 3.711 4.417 . 0 0 "[ . 1 . 2]" 1
504 1 46 TYR H 1 47 TRP H 5.000 . 5.000 4.568 4.492 4.644 . 0 0 "[ . 1 . 2]" 1
505 1 47 TRP HA 1 48 ILE H 2.900 . 2.900 2.299 2.274 2.327 . 0 0 "[ . 1 . 2]" 1
506 1 47 TRP QB 1 48 ILE H 5.000 . 6.000 2.826 2.782 2.880 . 0 0 "[ . 1 . 2]" 1
507 1 47 TRP QB 1 84 GLN H 5.000 . 6.000 4.245 4.169 4.328 . 0 0 "[ . 1 . 2]" 1
508 1 47 TRP HD1 1 85 ASP H 5.000 . 5.000 4.973 4.746 5.049 0.049 20 0 "[ . 1 . 2]" 1
509 1 47 TRP H 1 47 TRP HD1 5.000 . 5.000 2.475 2.452 2.494 . 0 0 "[ . 1 . 2]" 1
510 1 47 TRP HD1 1 48 ILE H 5.000 . 5.000 4.850 4.783 4.947 . 0 0 "[ . 1 . 2]" 1
511 1 47 TRP HD1 1 83 GLU H 5.000 . 5.000 4.868 4.772 5.048 0.048 10 0 "[ . 1 . 2]" 1
512 1 47 TRP HD1 1 84 GLN H 5.000 . 5.000 1.896 1.799 1.941 0.001 13 0 "[ . 1 . 2]" 1
513 1 47 TRP H 1 47 TRP HE1 5.000 . 5.000 5.029 5.009 5.045 0.045 1 0 "[ . 1 . 2]" 1
514 1 47 TRP HE1 1 84 GLN HA 5.000 . 5.000 3.679 3.504 3.852 . 0 0 "[ . 1 . 2]" 1
515 1 47 TRP HE1 1 84 GLN QB 5.000 . 6.000 2.778 2.084 3.072 . 0 0 "[ . 1 . 2]" 1
516 1 47 TRP HE1 1 84 GLN QG 5.000 . 6.000 4.648 3.962 5.058 . 0 0 "[ . 1 . 2]" 1
517 1 47 TRP H 1 48 ILE H 5.000 . 5.000 4.601 4.584 4.615 . 0 0 "[ . 1 . 2]" 1
518 1 47 TRP H 1 84 GLN QB 5.000 . 6.000 2.168 1.940 2.879 . 0 0 "[ . 1 . 2]" 1
519 1 47 TRP H 1 84 GLN QG 5.000 . 6.000 4.094 3.701 4.798 . 0 0 "[ . 1 . 2]" 1
520 1 47 TRP HZ3 1 49 GLN H 5.000 . 5.000 5.067 5.046 5.091 0.091 12 0 "[ . 1 . 2]" 1
521 1 48 ILE HA 1 49 GLN H 2.900 . 2.900 2.152 2.143 2.164 . 0 0 "[ . 1 . 2]" 1
522 1 48 ILE HA 1 82 ASP H 5.000 . 5.000 4.101 3.981 4.249 . 0 0 "[ . 1 . 2]" 1
523 1 48 ILE HA 1 84 GLN H 5.000 . 5.000 4.276 4.201 4.328 . 0 0 "[ . 1 . 2]" 1
524 1 48 ILE H 1 48 ILE MD 5.000 . 6.500 4.142 4.024 4.274 . 0 0 "[ . 1 . 2]" 1
525 1 48 ILE MD 1 49 GLN H 5.000 . 6.500 5.392 5.332 5.438 . 0 0 "[ . 1 . 2]" 1
526 1 48 ILE H 1 48 ILE HG13 5.000 . 5.000 3.028 2.865 3.140 . 0 0 "[ . 1 . 2]" 1
527 1 48 ILE HG13 1 49 GLN H 5.000 . 5.000 5.028 5.010 5.047 0.047 10 0 "[ . 1 . 2]" 1
528 1 48 ILE H 1 48 ILE HG12 5.000 . 5.000 4.200 4.126 4.239 . 0 0 "[ . 1 . 2]" 1
529 1 48 ILE HG12 1 49 GLN H 5.000 . 5.000 4.661 4.535 4.826 . 0 0 "[ . 1 . 2]" 1
530 1 48 ILE MG 1 49 GLN H 5.000 . 6.500 2.857 2.804 3.052 . 0 0 "[ . 1 . 2]" 1
531 1 48 ILE H 1 49 GLN H 5.000 . 5.000 3.986 3.970 4.016 . 0 0 "[ . 1 . 2]" 1
532 1 49 GLN HA 1 50 VAL H 2.900 . 2.900 2.168 2.146 2.181 . 0 0 "[ . 1 . 2]" 1
533 1 49 GLN H 1 49 GLN QB 3.500 . 4.100 2.350 2.270 2.471 . 0 0 "[ . 1 . 2]" 1
534 1 49 GLN QB 1 50 VAL H 5.000 . 6.000 3.844 3.743 3.937 . 0 0 "[ . 1 . 2]" 1
535 1 49 GLN QB 1 82 ASP H 5.000 . 6.000 2.948 2.782 3.221 . 0 0 "[ . 1 . 2]" 1
536 1 49 GLN QG 1 82 ASP H 5.000 . 6.000 4.839 4.135 5.048 . 0 0 "[ . 1 . 2]" 1
537 1 49 GLN H 1 50 VAL H 5.000 . 5.000 4.177 4.076 4.294 . 0 0 "[ . 1 . 2]" 1
538 1 49 GLN H 1 81 PHE QD 5.000 . 7.000 3.708 3.358 4.735 . 0 0 "[ . 1 . 2]" 1
539 1 49 GLN H 1 82 ASP QB 5.000 . 6.000 2.771 2.536 3.133 . 0 0 "[ . 1 . 2]" 1
540 1 49 GLN H 1 83 GLU HA 5.000 . 5.000 3.913 3.787 4.011 . 0 0 "[ . 1 . 2]" 1
541 1 49 GLN H 1 82 ASP H 5.000 . 5.000 2.557 2.462 2.643 . 0 0 "[ . 1 . 2]" 1
542 1 50 VAL HA 1 51 HIS H 3.500 . 3.500 2.192 2.146 2.225 . 0 0 "[ . 1 . 2]" 1
543 1 50 VAL HA 1 52 ARG H 5.000 . 5.000 4.514 4.261 4.749 . 0 0 "[ . 1 . 2]" 1
544 1 50 VAL HA 1 82 ASP H 5.000 . 5.000 3.675 3.552 3.798 . 0 0 "[ . 1 . 2]" 1
545 1 50 VAL H 1 50 VAL HB 2.900 . 2.900 2.753 2.649 2.903 0.003 20 0 "[ . 1 . 2]" 1
546 1 50 VAL HB 1 51 HIS H 5.000 . 5.000 4.317 4.219 4.493 . 0 0 "[ . 1 . 2]" 1
547 1 50 VAL H 1 50 VAL QG 3.500 . 5.200 1.922 1.866 2.071 . 0 0 "[ . 1 . 2]" 1
548 1 50 VAL QG 1 51 HIS H 3.500 . 5.900 3.142 2.909 3.254 . 0 0 "[ . 1 . 2]" 1
549 1 50 VAL QG 1 52 ARG H 3.500 . 5.900 3.628 3.405 3.824 . 0 0 "[ . 1 . 2]" 1
550 1 50 VAL QG 1 82 ASP H 5.000 . 7.400 4.341 4.197 4.802 . 0 0 "[ . 1 . 2]" 1
551 1 50 VAL H 1 51 HIS H 5.000 . 5.000 4.229 4.169 4.365 . 0 0 "[ . 1 . 2]" 1
552 1 50 VAL H 1 81 PHE HA 5.000 . 5.000 4.894 4.717 5.003 0.003 13 0 "[ . 1 . 2]" 1
553 1 51 HIS HA 1 52 ARG H 3.500 . 3.500 3.550 3.539 3.562 0.062 2 0 "[ . 1 . 2]" 1
554 1 51 HIS QB 1 52 ARG H 3.500 . 4.500 1.989 1.869 2.097 . 0 0 "[ . 1 . 2]" 1
555 1 51 HIS H 1 51 HIS HD2 5.000 . 5.000 3.057 2.718 3.315 . 0 0 "[ . 1 . 2]" 1
556 1 51 HIS HD2 1 52 ARG H 5.000 . 5.000 4.509 4.200 4.903 . 0 0 "[ . 1 . 2]" 1
557 1 51 HIS H 1 52 ARG H 3.500 . 3.500 3.097 2.869 3.309 . 0 0 "[ . 1 . 2]" 1
558 1 51 HIS H 1 80 VAL QG 5.000 . 7.400 4.085 3.759 4.255 . 0 0 "[ . 1 . 2]" 1
559 1 51 HIS H 1 81 PHE HA 5.000 . 5.000 1.993 1.845 2.177 . 0 0 "[ . 1 . 2]" 1
560 1 51 HIS H 1 81 PHE H 5.000 . 5.000 4.440 4.161 4.534 . 0 0 "[ . 1 . 2]" 1
561 1 51 HIS H 1 82 ASP QB 5.000 . 6.000 5.096 5.072 5.211 . 0 0 "[ . 1 . 2]" 1
562 1 51 HIS H 1 82 ASP H 5.000 . 5.000 3.974 3.745 4.174 . 0 0 "[ . 1 . 2]" 1
563 1 52 ARG HA 1 53 LEU H 2.900 . 2.900 2.636 2.455 2.768 . 0 0 "[ . 1 . 2]" 1
564 1 52 ARG QB 1 53 LEU H 3.500 . 4.500 2.044 1.924 3.215 . 0 0 "[ . 1 . 2]" 1
565 1 52 ARG QG 1 53 LEU H 5.000 . 6.000 3.253 1.920 3.786 . 0 0 "[ . 1 . 2]" 1
566 1 52 ARG QG 1 80 VAL H 5.000 . 6.000 4.281 3.794 5.135 . 0 0 "[ . 1 . 2]" 1
567 1 52 ARG H 1 53 LEU H 5.000 . 5.000 4.360 4.321 4.371 . 0 0 "[ . 1 . 2]" 1
568 1 52 ARG H 1 79 ALA HA 5.000 . 5.000 4.965 4.875 5.035 0.035 14 0 "[ . 1 . 2]" 1
569 1 52 ARG H 1 79 ALA MB 5.000 . 6.500 5.249 4.909 5.347 . 0 0 "[ . 1 . 2]" 1
570 1 52 ARG H 1 80 VAL HB 3.500 . 3.500 2.882 1.966 3.239 . 0 0 "[ . 1 . 2]" 1
571 1 52 ARG H 1 80 VAL QG 5.000 . 7.400 3.656 3.034 3.910 . 0 0 "[ . 1 . 2]" 1
572 1 52 ARG H 1 80 VAL H 5.000 . 5.000 3.326 3.120 3.413 . 0 0 "[ . 1 . 2]" 1
573 1 52 ARG H 1 81 PHE HA 5.000 . 5.000 4.468 4.224 4.844 . 0 0 "[ . 1 . 2]" 1
574 1 53 LEU HA 1 78 VAL H 5.000 . 5.000 4.737 4.326 5.021 0.021 1 0 "[ . 1 . 2]" 1
575 1 53 LEU HA 1 79 ALA H 5.000 . 5.000 4.905 4.731 5.021 0.021 1 0 "[ . 1 . 2]" 1
576 1 53 LEU HA 1 80 VAL H 5.000 . 5.000 3.122 2.605 3.410 . 0 0 "[ . 1 . 2]" 1
577 1 53 LEU H 1 53 LEU QB 3.500 . 4.100 2.677 2.300 2.995 . 0 0 "[ . 1 . 2]" 1
578 1 53 LEU QB 1 54 GLU H 5.000 . 6.000 2.604 2.440 2.990 . 0 0 "[ . 1 . 2]" 1
579 1 53 LEU QD 1 54 GLU H 5.000 . 7.400 3.283 1.972 3.970 . 0 0 "[ . 1 . 2]" 1
580 1 53 LEU QD 1 79 ALA H 5.000 . 7.400 3.737 2.817 4.315 . 0 0 "[ . 1 . 2]" 1
581 1 53 LEU QD 1 80 VAL H 5.000 . 7.400 3.056 2.725 3.640 . 0 0 "[ . 1 . 2]" 1
582 1 53 LEU H 1 63 LEU QD 5.000 . 7.400 4.692 4.164 5.105 . 0 0 "[ . 1 . 2]" 1
583 1 54 GLU HA 1 55 HIS H 2.900 . 2.900 2.241 2.155 2.382 . 0 0 "[ . 1 . 2]" 1
584 1 54 GLU HA 1 61 LEU H 5.000 . 5.000 2.989 2.666 3.339 . 0 0 "[ . 1 . 2]" 1
585 1 54 GLU H 1 54 GLU QB 3.500 . 4.100 2.679 2.555 2.832 . 0 0 "[ . 1 . 2]" 1
586 1 54 GLU QB 1 55 HIS H 3.500 . 4.500 3.375 2.481 3.699 . 0 0 "[ . 1 . 2]" 1
587 1 54 GLU QB 1 78 VAL H 5.000 . 6.000 3.551 2.991 3.987 . 0 0 "[ . 1 . 2]" 1
588 1 54 GLU QG 1 55 HIS H 5.000 . 6.000 2.668 1.987 4.133 . 0 0 "[ . 1 . 2]" 1
589 1 54 GLU QG 1 58 GLY H 5.000 . 6.000 3.970 2.948 5.220 . 0 0 "[ . 1 . 2]" 1
590 1 54 GLU QG 1 59 GLY H 5.000 . 6.000 3.648 2.983 4.896 . 0 0 "[ . 1 . 2]" 1
591 1 54 GLU QG 1 60 ILE H 5.000 . 6.000 3.833 3.336 4.820 . 0 0 "[ . 1 . 2]" 1
592 1 54 GLU QG 1 61 LEU H 5.000 . 6.000 4.078 2.930 4.822 . 0 0 "[ . 1 . 2]" 1
593 1 54 GLU QG 1 78 VAL H 5.000 . 6.000 4.884 3.947 5.405 . 0 0 "[ . 1 . 2]" 1
594 1 54 GLU H 1 60 ILE HA 5.000 . 5.000 4.866 4.589 5.010 0.010 16 0 "[ . 1 . 2]" 1
595 1 54 GLU H 1 78 VAL HB 5.000 . 5.000 3.719 2.997 4.758 . 0 0 "[ . 1 . 2]" 1
596 1 54 GLU H 1 78 VAL QG 5.000 . 7.400 3.552 2.139 4.392 . 0 0 "[ . 1 . 2]" 1
597 1 54 GLU H 1 78 VAL H 5.000 . 5.000 2.784 2.431 3.082 . 0 0 "[ . 1 . 2]" 1
598 1 54 GLU H 1 79 ALA HA 5.000 . 5.000 3.824 3.436 4.093 . 0 0 "[ . 1 . 2]" 1
599 1 54 GLU H 1 79 ALA MB 5.000 . 6.500 4.849 4.375 5.216 . 0 0 "[ . 1 . 2]" 1
600 1 54 GLU H 1 80 VAL H 5.000 . 5.000 4.851 4.414 5.007 0.007 20 0 "[ . 1 . 2]" 1
601 1 55 HIS H 1 55 HIS HA 2.900 . 2.900 2.832 2.786 2.919 0.019 19 0 "[ . 1 . 2]" 1
602 1 55 HIS HA 1 78 VAL H 5.000 . 5.000 3.806 3.211 4.199 . 0 0 "[ . 1 . 2]" 1
603 1 55 HIS H 1 55 HIS QB 3.500 . 4.100 2.154 2.081 2.243 . 0 0 "[ . 1 . 2]" 1
604 1 55 HIS QB 1 57 ASP H 5.000 . 6.000 3.851 2.913 5.151 . 0 0 "[ . 1 . 2]" 1
605 1 55 HIS QB 1 58 GLY H 5.000 . 6.000 3.908 3.329 4.755 . 0 0 "[ . 1 . 2]" 1
606 1 55 HIS QB 1 59 GLY H 5.000 . 6.000 3.646 3.277 4.071 . 0 0 "[ . 1 . 2]" 1
607 1 55 HIS H 1 55 HIS HD2 5.000 . 5.000 3.556 3.258 3.910 . 0 0 "[ . 1 . 2]" 1
608 1 55 HIS HD2 1 59 GLY H 5.000 . 5.000 4.874 4.644 5.003 0.003 17 0 "[ . 1 . 2]" 1
609 1 55 HIS HD2 1 60 ILE H 5.000 . 5.000 4.690 3.941 4.979 . 0 0 "[ . 1 . 2]" 1
610 1 55 HIS H 1 59 GLY QA 5.000 . 6.000 3.417 3.130 3.709 . 0 0 "[ . 1 . 2]" 1
611 1 55 HIS H 1 59 GLY H 5.000 . 5.000 3.989 3.515 4.402 . 0 0 "[ . 1 . 2]" 1
612 1 55 HIS H 1 60 ILE HA 5.000 . 5.000 3.182 2.884 3.553 . 0 0 "[ . 1 . 2]" 1
613 1 55 HIS H 1 61 LEU QD 5.000 . 7.400 2.734 2.124 3.569 . 0 0 "[ . 1 . 2]" 1
614 1 55 HIS H 1 61 LEU H 5.000 . 5.000 4.698 4.153 5.005 0.005 19 0 "[ . 1 . 2]" 1
615 1 56 GLY QA 1 57 ASP H 5.000 . 6.000 2.436 2.163 2.788 . 0 0 "[ . 1 . 2]" 1
616 1 57 ASP H 1 57 ASP HA 2.900 . 2.900 2.780 2.273 2.943 0.043 7 0 "[ . 1 . 2]" 1
617 1 57 ASP HA 1 58 GLY H 2.900 . 2.900 2.744 2.339 2.907 0.007 15 0 "[ . 1 . 2]" 1
618 1 57 ASP QB 1 58 GLY H 5.000 . 6.000 3.886 3.795 4.049 . 0 0 "[ . 1 . 2]" 1
619 1 57 ASP H 1 58 GLY H 5.000 . 5.000 2.729 2.003 3.517 . 0 0 "[ . 1 . 2]" 1
620 1 58 GLY QA 1 59 GLY H 5.000 . 6.000 2.382 2.124 2.729 . 0 0 "[ . 1 . 2]" 1
621 1 58 GLY H 1 59 GLY QA 5.000 . 6.000 4.136 3.802 4.542 . 0 0 "[ . 1 . 2]" 1
622 1 58 GLY H 1 59 GLY H 5.000 . 5.000 2.768 2.063 3.509 . 0 0 "[ . 1 . 2]" 1
623 1 59 GLY QA 1 60 ILE H 2.900 . 3.900 2.519 2.201 2.705 . 0 0 "[ . 1 . 2]" 1
624 1 59 GLY H 1 60 ILE HB 5.000 . 5.000 4.938 4.685 5.008 0.008 19 0 "[ . 1 . 2]" 1
625 1 60 ILE HA 1 61 LEU H 2.900 . 2.900 2.321 2.227 2.353 . 0 0 "[ . 1 . 2]" 1
626 1 60 ILE H 1 60 ILE HB 2.900 . 2.900 2.670 2.445 2.730 . 0 0 "[ . 1 . 2]" 1
627 1 60 ILE HB 1 61 LEU H 5.000 . 5.000 3.613 3.484 3.802 . 0 0 "[ . 1 . 2]" 1
628 1 60 ILE H 1 60 ILE MD 3.500 . 5.000 3.474 2.637 3.618 . 0 0 "[ . 1 . 2]" 1
629 1 60 ILE MD 1 61 LEU H 5.000 . 6.500 4.425 3.352 4.763 . 0 0 "[ . 1 . 2]" 1
630 1 60 ILE H 1 60 ILE HG13 5.000 . 5.000 2.221 1.864 4.139 . 0 0 "[ . 1 . 2]" 1
631 1 60 ILE HG13 1 61 LEU H 5.000 . 5.000 4.951 4.563 5.065 0.065 3 0 "[ . 1 . 2]" 1
632 1 60 ILE H 1 60 ILE HG12 2.900 . 2.900 2.879 2.458 2.935 0.035 18 0 "[ . 1 . 2]" 1
633 1 60 ILE HG12 1 61 LEU H 5.000 . 5.000 4.457 4.303 5.025 0.025 19 0 "[ . 1 . 2]" 1
634 1 60 ILE H 1 60 ILE MG 3.500 . 5.000 3.759 3.754 3.768 . 0 0 "[ . 1 . 2]" 1
635 1 60 ILE MG 1 61 LEU H 3.500 . 5.000 1.945 1.891 2.185 . 0 0 "[ . 1 . 2]" 1
636 1 61 LEU HA 1 62 ASP H 2.900 . 2.900 2.150 2.129 2.228 . 0 0 "[ . 1 . 2]" 1
637 1 61 LEU H 1 61 LEU QB 3.500 . 4.100 2.804 2.489 3.358 . 0 0 "[ . 1 . 2]" 1
638 1 61 LEU QB 1 62 ASP H 5.000 . 6.000 3.266 2.809 3.541 . 0 0 "[ . 1 . 2]" 1
639 1 61 LEU QD 1 62 ASP H 5.000 . 7.400 4.196 3.633 4.443 . 0 0 "[ . 1 . 2]" 1
640 1 61 LEU H 1 61 LEU HG 3.500 . 3.500 3.210 2.192 3.550 0.050 3 0 "[ . 1 . 2]" 1
641 1 61 LEU HG 1 62 ASP H 5.000 . 5.000 4.669 4.483 4.954 . 0 0 "[ . 1 . 2]" 1
642 1 61 LEU H 1 62 ASP H 5.000 . 5.000 4.184 3.984 4.294 . 0 0 "[ . 1 . 2]" 1
643 1 62 ASP HA 1 63 LEU H 2.900 . 2.900 2.766 2.466 2.954 0.054 3 0 "[ . 1 . 2]" 1
644 1 62 ASP H 1 62 ASP QB 3.500 . 4.100 2.425 2.128 2.940 . 0 0 "[ . 1 . 2]" 1
645 1 62 ASP QB 1 63 LEU H 5.000 . 6.000 2.093 1.883 2.838 . 0 0 "[ . 1 . 2]" 1
646 1 62 ASP QB 1 64 ASP H 5.000 . 6.000 3.402 2.519 4.865 . 0 0 "[ . 1 . 2]" 1
647 1 62 ASP QB 1 65 ASP H 5.000 . 6.000 4.279 2.889 5.326 . 0 0 "[ . 1 . 2]" 1
648 1 62 ASP H 1 63 LEU QD 5.000 . 7.400 5.227 4.981 5.460 . 0 0 "[ . 1 . 2]" 1
649 1 62 ASP H 1 63 LEU H 5.000 . 5.000 4.374 4.286 4.517 . 0 0 "[ . 1 . 2]" 1
650 1 62 ASP H 1 64 ASP H 5.000 . 5.000 4.493 4.020 5.004 0.004 6 0 "[ . 1 . 2]" 1
651 1 62 ASP H 1 65 ASP QB 5.000 . 6.000 3.750 3.170 4.384 . 0 0 "[ . 1 . 2]" 1
652 1 62 ASP H 1 65 ASP H 5.000 . 5.000 4.773 4.040 5.022 0.022 14 0 "[ . 1 . 2]" 1
653 1 63 LEU HA 1 64 ASP H 5.000 . 5.000 2.593 2.282 2.968 . 0 0 "[ . 1 . 2]" 1
654 1 63 LEU HA 1 65 ASP H 5.000 . 5.000 4.077 3.601 4.796 . 0 0 "[ . 1 . 2]" 1
655 1 63 LEU H 1 63 LEU QB 2.900 . 3.500 2.758 2.663 2.871 . 0 0 "[ . 1 . 2]" 1
656 1 63 LEU QB 1 64 ASP H 3.500 . 4.500 3.846 3.752 3.901 . 0 0 "[ . 1 . 2]" 1
657 1 63 LEU H 1 63 LEU QD 3.500 . 5.200 2.344 1.915 3.222 . 0 0 "[ . 1 . 2]" 1
658 1 63 LEU QD 1 64 ASP H 5.000 . 7.400 4.444 4.264 4.633 . 0 0 "[ . 1 . 2]" 1
659 1 63 LEU H 1 63 LEU HG 2.900 . 2.900 2.641 2.221 2.906 0.006 10 0 "[ . 1 . 2]" 1
660 1 63 LEU HG 1 64 ASP H 5.000 . 5.000 4.866 4.618 5.031 0.031 7 0 "[ . 1 . 2]" 1
661 1 63 LEU H 1 64 ASP H 5.000 . 5.000 3.298 2.537 3.918 . 0 0 "[ . 1 . 2]" 1
662 1 63 LEU H 1 65 ASP H 5.000 . 5.000 4.909 4.112 5.044 0.044 6 0 "[ . 1 . 2]" 1
663 1 64 ASP HA 1 65 ASP H 5.000 . 5.000 3.252 2.879 3.572 . 0 0 "[ . 1 . 2]" 1
664 1 64 ASP H 1 64 ASP QB 2.900 . 3.500 2.895 2.698 3.163 . 0 0 "[ . 1 . 2]" 1
665 1 64 ASP QB 1 65 ASP H 3.500 . 4.500 3.168 2.111 4.046 . 0 0 "[ . 1 . 2]" 1
666 1 64 ASP H 1 65 ASP H 2.900 . 2.900 2.093 1.892 2.529 . 0 0 "[ . 1 . 2]" 1
667 1 65 ASP HA 1 66 ILE H 2.900 . 2.900 2.185 2.152 2.240 . 0 0 "[ . 1 . 2]" 1
668 1 65 ASP H 1 65 ASP QB 2.900 . 3.500 2.389 2.043 2.695 . 0 0 "[ . 1 . 2]" 1
669 1 65 ASP QB 1 66 ILE H 3.500 . 4.500 3.295 3.020 3.731 . 0 0 "[ . 1 . 2]" 1
670 1 65 ASP H 1 66 ILE H 5.000 . 5.000 4.448 4.280 4.613 . 0 0 "[ . 1 . 2]" 1
671 1 66 ILE HA 1 67 LEU H 2.900 . 2.900 2.318 2.231 2.342 . 0 0 "[ . 1 . 2]" 1
672 1 66 ILE HA 1 68 CYS H 5.000 . 5.000 4.636 4.196 4.815 . 0 0 "[ . 1 . 2]" 1
673 1 66 ILE H 1 66 ILE HB 2.900 . 2.900 2.417 2.386 2.451 . 0 0 "[ . 1 . 2]" 1
674 1 66 ILE HB 1 69 ASP H 5.000 . 5.000 3.031 2.877 3.261 . 0 0 "[ . 1 . 2]" 1
675 1 66 ILE H 1 66 ILE MD 5.000 . 6.500 3.433 3.340 3.596 . 0 0 "[ . 1 . 2]" 1
676 1 66 ILE MD 1 67 LEU H 5.000 . 6.500 2.985 2.869 3.174 . 0 0 "[ . 1 . 2]" 1
677 1 66 ILE H 1 66 ILE HG13 3.500 . 3.500 3.583 3.564 3.600 0.100 4 0 "[ . 1 . 2]" 1
678 1 66 ILE HG13 1 67 LEU H 5.000 . 5.000 4.807 4.773 4.957 . 0 0 "[ . 1 . 2]" 1
679 1 66 ILE H 1 66 ILE HG12 5.000 . 5.000 2.210 2.157 2.289 . 0 0 "[ . 1 . 2]" 1
680 1 66 ILE HG12 1 67 LEU H 5.000 . 5.000 4.715 4.637 4.764 . 0 0 "[ . 1 . 2]" 1
681 1 66 ILE H 1 66 ILE MG 3.500 . 5.000 3.739 3.733 3.749 . 0 0 "[ . 1 . 2]" 1
682 1 66 ILE MG 1 67 LEU H 3.500 . 5.000 1.899 1.877 1.940 . 0 0 "[ . 1 . 2]" 1
683 1 66 ILE MG 1 69 ASP H 2.900 . 4.400 2.255 2.030 2.525 . 0 0 "[ . 1 . 2]" 1
684 1 66 ILE H 1 67 LEU H 5.000 . 5.000 4.630 4.620 4.639 . 0 0 "[ . 1 . 2]" 1
685 1 66 ILE H 1 69 ASP QB 5.000 . 6.000 2.973 2.474 3.428 . 0 0 "[ . 1 . 2]" 1
686 1 66 ILE H 1 69 ASP H 5.000 . 5.000 4.608 4.364 4.841 . 0 0 "[ . 1 . 2]" 1
687 1 67 LEU HA 1 68 CYS H 5.000 . 5.000 3.563 3.527 3.572 . 0 0 "[ . 1 . 2]" 1
688 1 67 LEU HA 1 69 ASP H 5.000 . 5.000 3.854 3.699 3.949 . 0 0 "[ . 1 . 2]" 1
689 1 67 LEU HA 1 70 VAL H 5.000 . 5.000 3.571 3.153 3.844 . 0 0 "[ . 1 . 2]" 1
690 1 67 LEU HA 1 71 ALA H 5.000 . 5.000 3.191 2.527 4.138 . 0 0 "[ . 1 . 2]" 1
691 1 67 LEU H 1 67 LEU QB 3.500 . 4.100 2.132 2.027 2.256 . 0 0 "[ . 1 . 2]" 1
692 1 67 LEU QB 1 68 CYS H 3.500 . 4.500 2.352 2.160 2.613 . 0 0 "[ . 1 . 2]" 1
693 1 67 LEU H 1 67 LEU QD 3.500 . 5.200 3.261 2.147 3.734 . 0 0 "[ . 1 . 2]" 1
694 1 67 LEU QD 1 68 CYS H 2.900 . 5.300 3.707 3.362 3.947 . 0 0 "[ . 1 . 2]" 1
695 1 67 LEU QD 1 69 ASP H 5.000 . 7.400 4.764 4.366 5.138 . 0 0 "[ . 1 . 2]" 1
696 1 67 LEU QD 1 70 VAL H 5.000 . 7.400 4.634 4.107 5.159 . 0 0 "[ . 1 . 2]" 1
697 1 67 LEU QD 1 71 ALA H 5.000 . 7.400 3.658 3.275 4.391 . 0 0 "[ . 1 . 2]" 1
698 1 67 LEU QD 1 72 ASP H 5.000 . 7.400 4.515 3.880 5.195 . 0 0 "[ . 1 . 2]" 1
699 1 67 LEU H 1 67 LEU HG 5.000 . 5.000 4.400 4.049 4.518 . 0 0 "[ . 1 . 2]" 1
700 1 67 LEU HG 1 68 CYS H 5.000 . 5.000 4.188 3.297 4.837 . 0 0 "[ . 1 . 2]" 1
701 1 67 LEU H 1 68 CYS H 5.000 . 5.000 2.800 2.620 2.973 . 0 0 "[ . 1 . 2]" 1
702 1 67 LEU H 1 69 ASP H 5.000 . 5.000 3.807 3.730 4.007 . 0 0 "[ . 1 . 2]" 1
703 1 68 CYS HA 1 69 ASP H 5.000 . 5.000 3.394 3.321 3.474 . 0 0 "[ . 1 . 2]" 1
704 1 68 CYS QB 1 69 ASP H 5.000 . 6.000 3.315 2.987 3.826 . 0 0 "[ . 1 . 2]" 1
705 1 68 CYS H 1 69 ASP H 3.500 . 3.500 2.674 2.633 2.798 . 0 0 "[ . 1 . 2]" 1
706 1 68 CYS H 1 71 ALA H 5.000 . 5.000 4.774 4.676 4.965 . 0 0 "[ . 1 . 2]" 1
707 1 69 ASP HA 1 70 VAL H 5.000 . 5.000 3.519 3.449 3.573 . 0 0 "[ . 1 . 2]" 1
708 1 69 ASP H 1 69 ASP QB 3.500 . 4.100 2.257 2.154 2.372 . 0 0 "[ . 1 . 2]" 1
709 1 69 ASP QB 1 70 VAL H 5.000 . 6.000 2.734 2.218 3.013 . 0 0 "[ . 1 . 2]" 1
710 1 69 ASP QB 1 71 ALA H 5.000 . 6.000 4.635 4.190 5.094 . 0 0 "[ . 1 . 2]" 1
711 1 69 ASP H 1 70 VAL H 2.900 . 2.900 2.354 2.144 2.657 . 0 0 "[ . 1 . 2]" 1
712 1 69 ASP H 1 71 ALA MB 5.000 . 6.500 4.896 4.637 5.289 . 0 0 "[ . 1 . 2]" 1
713 1 69 ASP H 1 71 ALA H 5.000 . 5.000 3.717 3.390 4.365 . 0 0 "[ . 1 . 2]" 1
714 1 70 VAL HA 1 71 ALA H 3.500 . 3.500 3.508 3.239 3.550 0.050 12 0 "[ . 1 . 2]" 1
715 1 70 VAL HB 1 71 ALA H 5.000 . 5.000 3.729 1.982 4.424 . 0 0 "[ . 1 . 2]" 1
716 1 70 VAL H 1 70 VAL QG 2.900 . 4.600 1.979 1.806 2.358 . 0 0 "[ . 1 . 2]" 1
717 1 70 VAL QG 1 71 ALA H 3.500 . 5.900 2.045 1.834 2.912 . 0 0 "[ . 1 . 2]" 1
718 1 70 VAL H 1 71 ALA MB 5.000 . 6.500 4.010 3.772 4.412 . 0 0 "[ . 1 . 2]" 1
719 1 70 VAL H 1 71 ALA H 2.900 . 2.900 2.192 1.936 2.610 . 0 0 "[ . 1 . 2]" 1
720 1 71 ALA HA 1 72 ASP H 2.900 . 2.900 2.514 2.508 2.518 . 0 0 "[ . 1 . 2]" 1
721 1 71 ALA MB 1 72 ASP H 2.900 . 4.400 2.263 2.115 2.370 . 0 0 "[ . 1 . 2]" 1
722 1 71 ALA MB 1 73 ASP H 5.000 . 6.500 5.235 5.120 5.320 . 0 0 "[ . 1 . 2]" 1
723 1 71 ALA H 1 72 ASP H 5.000 . 5.000 4.513 4.406 4.584 . 0 0 "[ . 1 . 2]" 1
724 1 71 ALA H 1 77 LEU QD 5.000 . 7.400 4.848 4.326 5.485 . 0 0 "[ . 1 . 2]" 1
725 1 72 ASP HA 1 73 ASP H 2.900 . 2.900 2.309 2.237 2.367 . 0 0 "[ . 1 . 2]" 1
726 1 72 ASP H 1 72 ASP QB 2.900 . 3.500 2.710 2.537 3.157 . 0 0 "[ . 1 . 2]" 1
727 1 72 ASP QB 1 73 ASP H 3.500 . 4.500 2.992 2.570 3.447 . 0 0 "[ . 1 . 2]" 1
728 1 72 ASP H 1 73 ASP H 5.000 . 5.000 4.410 4.356 4.457 . 0 0 "[ . 1 . 2]" 1
729 1 72 ASP H 1 75 ASP QB 5.000 . 6.000 2.658 2.210 2.913 . 0 0 "[ . 1 . 2]" 1
730 1 72 ASP H 1 75 ASP H 5.000 . 5.000 4.850 4.211 5.009 0.009 19 0 "[ . 1 . 2]" 1
731 1 72 ASP H 1 77 LEU QD 5.000 . 7.400 3.849 3.364 4.181 . 0 0 "[ . 1 . 2]" 1
732 1 73 ASP HA 1 74 LYS H 2.900 . 2.900 2.162 2.137 2.297 . 0 0 "[ . 1 . 2]" 1
733 1 73 ASP H 1 73 ASP QB 2.900 . 3.500 2.283 2.062 2.593 . 0 0 "[ . 1 . 2]" 1
734 1 73 ASP QB 1 74 LYS H 5.000 . 6.000 3.380 2.622 3.783 . 0 0 "[ . 1 . 2]" 1
735 1 73 ASP H 1 74 LYS H 5.000 . 5.000 4.547 4.463 4.642 . 0 0 "[ . 1 . 2]" 1
736 1 74 LYS H 1 74 LYS HA 2.900 . 2.900 2.275 2.271 2.303 . 0 0 "[ . 1 . 2]" 1
737 1 74 LYS HA 1 75 ASP H 5.000 . 5.000 2.496 2.391 2.656 . 0 0 "[ . 1 . 2]" 1
738 1 74 LYS QB 1 75 ASP H 5.000 . 6.000 3.968 3.886 4.042 . 0 0 "[ . 1 . 2]" 1
739 1 74 LYS H 1 74 LYS QD 5.000 . 6.000 4.248 2.574 5.061 . 0 0 "[ . 1 . 2]" 1
740 1 74 LYS QD 1 75 ASP H 5.000 . 6.000 4.699 3.802 5.394 . 0 0 "[ . 1 . 2]" 1
741 1 74 LYS QG 1 75 ASP H 5.000 . 6.000 4.355 3.897 4.704 . 0 0 "[ . 1 . 2]" 1
742 1 74 LYS H 1 75 ASP H 3.500 . 3.500 2.999 2.824 3.206 . 0 0 "[ . 1 . 2]" 1
743 1 75 ASP HA 1 76 ARG H 2.900 . 2.900 2.301 2.160 2.515 . 0 0 "[ . 1 . 2]" 1
744 1 75 ASP H 1 75 ASP QB 2.900 . 3.500 2.585 2.431 2.681 . 0 0 "[ . 1 . 2]" 1
745 1 75 ASP QB 1 76 ARG H 3.500 . 4.500 3.371 2.876 3.703 . 0 0 "[ . 1 . 2]" 1
746 1 75 ASP H 1 77 LEU QD 5.000 . 7.400 4.641 3.953 5.191 . 0 0 "[ . 1 . 2]" 1
747 1 76 ARG HA 1 77 LEU H 2.900 . 2.900 2.224 2.146 2.318 . 0 0 "[ . 1 . 2]" 1
748 1 76 ARG H 1 76 ARG QB 2.900 . 3.500 2.446 2.203 2.736 . 0 0 "[ . 1 . 2]" 1
749 1 76 ARG QB 1 77 LEU H 5.000 . 6.000 3.212 2.604 3.723 . 0 0 "[ . 1 . 2]" 1
750 1 76 ARG H 1 76 ARG QD 5.000 . 6.000 4.031 2.362 4.871 . 0 0 "[ . 1 . 2]" 1
751 1 76 ARG QG 1 77 LEU H 5.000 . 6.000 3.453 2.078 4.170 . 0 0 "[ . 1 . 2]" 1
752 1 76 ARG H 1 77 LEU QD 5.000 . 7.400 4.090 3.429 4.732 . 0 0 "[ . 1 . 2]" 1
753 1 76 ARG H 1 77 LEU H 5.000 . 5.000 4.441 3.856 4.606 . 0 0 "[ . 1 . 2]" 1
754 1 77 LEU HA 1 78 VAL H 2.900 . 2.900 2.332 2.165 2.462 . 0 0 "[ . 1 . 2]" 1
755 1 77 LEU H 1 77 LEU QB 3.500 . 4.100 2.790 2.499 2.970 . 0 0 "[ . 1 . 2]" 1
756 1 77 LEU QB 1 78 VAL H 5.000 . 6.000 2.596 2.298 3.060 . 0 0 "[ . 1 . 2]" 1
757 1 77 LEU QD 1 78 VAL H 3.500 . 5.900 3.650 3.375 3.897 . 0 0 "[ . 1 . 2]" 1
758 1 77 LEU H 1 77 LEU HG 3.500 . 3.500 3.010 2.155 3.461 . 0 0 "[ . 1 . 2]" 1
759 1 77 LEU HG 1 78 VAL H 5.000 . 5.000 4.793 4.477 5.016 0.016 18 0 "[ . 1 . 2]" 1
760 1 78 VAL HA 1 79 ALA H 2.900 . 2.900 2.162 2.142 2.223 . 0 0 "[ . 1 . 2]" 1
761 1 78 VAL H 1 78 VAL HB 3.500 . 3.500 2.874 2.592 3.595 0.095 1 0 "[ . 1 . 2]" 1
762 1 78 VAL HB 1 79 ALA H 5.000 . 5.000 3.994 2.993 4.316 . 0 0 "[ . 1 . 2]" 1
763 1 78 VAL H 1 78 VAL QG 2.900 . 4.600 2.296 1.886 2.668 . 0 0 "[ . 1 . 2]" 1
764 1 78 VAL QG 1 79 ALA H 2.900 . 5.300 2.830 2.294 3.519 . 0 0 "[ . 1 . 2]" 1
765 1 78 VAL H 1 79 ALA H 5.000 . 5.000 4.365 4.127 4.546 . 0 0 "[ . 1 . 2]" 1
766 1 79 ALA HA 1 80 VAL H 2.900 . 2.900 2.131 2.121 2.157 . 0 0 "[ . 1 . 2]" 1
767 1 79 ALA H 1 79 ALA MB 2.900 . 4.000 2.254 2.144 2.437 . 0 0 "[ . 1 . 2]" 1
768 1 79 ALA MB 1 80 VAL H 3.500 . 5.000 3.202 2.986 3.345 . 0 0 "[ . 1 . 2]" 1
769 1 80 VAL HA 1 81 PHE H 2.900 . 2.900 2.162 2.145 2.210 . 0 0 "[ . 1 . 2]" 1
770 1 80 VAL H 1 80 VAL HB 3.500 . 3.500 2.650 2.619 2.675 . 0 0 "[ . 1 . 2]" 1
771 1 80 VAL H 1 80 VAL QG 3.500 . 5.200 2.420 2.194 2.579 . 0 0 "[ . 1 . 2]" 1
772 1 80 VAL QG 1 81 PHE H 5.000 . 7.400 2.607 2.365 2.889 . 0 0 "[ . 1 . 2]" 1
773 1 80 VAL H 1 81 PHE QD 5.000 . 7.000 4.568 4.149 5.554 . 0 0 "[ . 1 . 2]" 1
774 1 80 VAL H 1 81 PHE H 5.000 . 5.000 4.380 4.240 4.516 . 0 0 "[ . 1 . 2]" 1
775 1 81 PHE HA 1 82 ASP H 3.500 . 3.500 2.550 2.372 2.641 . 0 0 "[ . 1 . 2]" 1
776 1 81 PHE QB 1 82 ASP H 5.000 . 6.000 2.127 1.986 2.452 . 0 0 "[ . 1 . 2]" 1
777 1 81 PHE H 1 81 PHE QD 3.500 . 5.500 2.099 1.807 2.685 . 0 0 "[ . 1 . 2]" 1
778 1 81 PHE QD 1 82 ASP H 5.000 . 7.000 3.152 2.768 3.925 . 0 0 "[ . 1 . 2]" 1
779 1 81 PHE QD 1 83 GLU H 5.000 . 7.000 5.098 4.479 5.706 . 0 0 "[ . 1 . 2]" 1
780 1 81 PHE H 1 81 PHE QE 5.000 . 7.000 4.006 3.895 4.188 . 0 0 "[ . 1 . 2]" 1
781 1 81 PHE QE 1 83 GLU H 5.000 . 7.000 5.463 4.665 6.005 . 0 0 "[ . 1 . 2]" 1
782 1 82 ASP HA 1 83 GLU H 2.900 . 2.900 2.342 2.168 2.417 . 0 0 "[ . 1 . 2]" 1
783 1 82 ASP H 1 82 ASP QB 3.500 . 4.100 2.368 2.245 2.505 . 0 0 "[ . 1 . 2]" 1
784 1 82 ASP QB 1 83 GLU H 3.500 . 4.500 2.877 2.650 3.318 . 0 0 "[ . 1 . 2]" 1
785 1 83 GLU H 1 83 GLU HA 2.900 . 2.900 2.892 2.870 2.933 0.033 10 0 "[ . 1 . 2]" 1
786 1 83 GLU HA 1 84 GLN H 3.500 . 3.500 2.184 2.160 2.208 . 0 0 "[ . 1 . 2]" 1
787 1 83 GLU H 1 83 GLU QB 3.500 . 4.100 3.244 2.800 3.331 . 0 0 "[ . 1 . 2]" 1
788 1 83 GLU H 1 83 GLU QG 2.900 . 3.900 2.436 2.165 3.264 . 0 0 "[ . 1 . 2]" 1
789 1 83 GLU H 1 84 GLN H 5.000 . 5.000 4.224 4.136 4.390 . 0 0 "[ . 1 . 2]" 1
790 1 84 GLN HA 1 85 ASP H 2.900 . 2.900 2.453 2.357 2.554 . 0 0 "[ . 1 . 2]" 1
791 1 84 GLN QB 1 85 ASP H 5.000 . 6.000 4.047 4.024 4.056 . 0 0 "[ . 1 . 2]" 1
792 1 84 GLN H 1 84 GLN QB 3.500 . 4.100 2.380 2.278 2.624 . 0 0 "[ . 1 . 2]" 1
793 1 84 GLN QG 1 85 ASP H 3.500 . 4.500 3.904 3.800 4.069 . 0 0 "[ . 1 . 2]" 1
794 1 84 GLN H 1 84 GLN QG 3.500 . 4.500 4.030 3.941 4.151 . 0 0 "[ . 1 . 2]" 1
795 1 84 GLN H 1 85 ASP H 5.000 . 5.000 3.569 3.242 3.744 . 0 0 "[ . 1 . 2]" 1
796 1 85 ASP H 1 85 ASP QB 2.900 . 3.500 2.496 2.104 2.922 . 0 0 "[ . 1 . 2]" 1
797 1 2 GLU HA 1 2 GLU QG 3.300 . 4.300 2.585 2.117 3.367 . 0 0 "[ . 1 . 2]" 1
798 1 4 LYS HA 1 4 LYS QE 5.000 . 6.000 4.272 2.769 4.956 . 0 0 "[ . 1 . 2]" 1
799 1 4 LYS HA 1 17 PRO HA 2.700 . 2.700 2.038 1.961 2.256 . 0 0 "[ . 1 . 2]" 1
800 1 4 LYS QB 1 4 LYS QD 3.300 . 5.300 2.115 1.918 2.412 . 0 0 "[ . 1 . 2]" 1
801 1 4 LYS QB 1 17 PRO HA 5.000 . 6.000 3.626 2.999 3.958 . 0 0 "[ . 1 . 2]" 1
802 1 4 LYS QD 1 15 ASP QB 5.000 . 7.000 3.456 2.308 4.524 . 0 0 "[ . 1 . 2]" 1
803 1 4 LYS QE 1 4 LYS QG 3.300 . 5.300 2.145 1.968 2.423 . 0 0 "[ . 1 . 2]" 1
804 1 4 LYS QG 1 17 PRO HA 2.700 . 3.700 2.264 1.953 2.730 . 0 0 "[ . 1 . 2]" 1
805 1 5 VAL HA 1 5 VAL HB 2.700 . 2.700 2.532 2.484 2.564 . 0 0 "[ . 1 . 2]" 1
806 1 5 VAL HA 1 5 VAL QG 2.700 . 4.400 2.187 2.076 2.309 . 0 0 "[ . 1 . 2]" 1
807 1 5 VAL HA 1 74 LYS HA 5.000 . 5.000 3.880 3.660 4.107 . 0 0 "[ . 1 . 2]" 1
808 1 5 VAL HB 1 77 LEU QD 5.000 . 7.400 2.096 1.855 2.588 . 0 0 "[ . 1 . 2]" 1
809 1 5 VAL QG 1 7 VAL QG 2.700 . 7.500 2.844 2.645 3.073 . 0 0 "[ . 1 . 2]" 1
810 1 5 VAL QG 1 16 VAL HB 3.300 . 5.700 2.164 1.903 2.683 . 0 0 "[ . 1 . 2]" 1
811 1 5 VAL QG 1 28 LEU QD 5.000 . 9.800 1.880 1.581 2.515 0.219 20 0 "[ . 1 . 2]" 1
812 1 5 VAL QG 1 67 LEU QD 3.300 . 8.100 2.082 1.780 2.530 0.020 6 0 "[ . 1 . 2]" 1
813 1 5 VAL QG 1 71 ALA MB 3.300 . 7.200 2.056 1.738 2.312 0.062 1 0 "[ . 1 . 2]" 1
814 1 5 VAL QG 1 75 ASP QB 5.000 . 8.400 2.393 2.110 2.781 . 0 0 "[ . 1 . 2]" 1
815 1 5 VAL QG 1 77 LEU QD 2.700 . 7.500 2.274 1.894 2.656 . 0 0 "[ . 1 . 2]" 1
816 1 6 THR HA 1 6 THR MG 3.300 . 4.800 2.332 2.195 2.462 . 0 0 "[ . 1 . 2]" 1
817 1 6 THR HA 1 15 ASP HA 3.300 . 3.300 2.180 1.983 2.411 . 0 0 "[ . 1 . 2]" 1
818 1 6 THR HB 1 76 ARG HA 3.300 . 3.300 2.157 1.983 2.409 . 0 0 "[ . 1 . 2]" 1
819 1 6 THR MG 1 13 ARG HA 5.000 . 6.500 3.458 3.025 3.982 . 0 0 "[ . 1 . 2]" 1
820 1 6 THR MG 1 13 ARG QB 3.300 . 5.800 2.501 2.079 3.428 . 0 0 "[ . 1 . 2]" 1
821 1 6 THR MG 1 13 ARG QG 3.300 . 5.800 3.255 1.765 4.289 0.035 8 0 "[ . 1 . 2]" 1
822 1 6 THR MG 1 15 ASP HA 5.000 . 6.500 3.089 2.447 3.459 . 0 0 "[ . 1 . 2]" 1
823 1 6 THR MG 1 76 ARG HA 5.000 . 6.500 3.764 3.626 4.035 . 0 0 "[ . 1 . 2]" 1
824 1 6 THR MG 1 76 ARG QD 5.000 . 7.500 4.073 1.964 5.234 . 0 0 "[ . 1 . 2]" 1
825 1 6 THR MG 1 76 ARG QG 5.000 . 7.500 3.289 2.387 5.532 . 0 0 "[ . 1 . 2]" 1
826 1 7 VAL HB 1 14 VAL QG 5.000 . 7.400 3.391 1.969 5.020 . 0 0 "[ . 1 . 2]" 1
827 1 7 VAL QG 1 9 PHE QD 5.000 . 7.100 2.996 2.433 3.379 . 0 0 "[ . 1 . 2]" 1
828 1 7 VAL QG 1 14 VAL QG 5.000 . 9.800 3.105 1.722 3.858 0.078 6 0 "[ . 1 . 2]" 1
829 1 7 VAL QG 1 16 VAL QG 2.700 . 7.500 1.988 1.730 2.335 0.070 5 0 "[ . 1 . 2]" 1
830 1 7 VAL QG 1 28 LEU QD 5.000 . 9.800 2.296 1.839 2.737 . 0 0 "[ . 1 . 2]" 1
831 1 7 VAL QG 1 32 ALA MB 2.700 . 6.600 1.990 1.777 2.382 0.023 6 0 "[ . 1 . 2]" 1
832 1 7 VAL QG 1 53 LEU QD 3.300 . 8.100 2.029 1.768 2.569 0.032 8 0 "[ . 1 . 2]" 1
833 1 7 VAL QG 1 77 LEU QD 2.700 . 7.500 2.685 2.124 3.181 . 0 0 "[ . 1 . 2]" 1
834 1 7 VAL QG 1 79 ALA MB 2.700 . 6.600 2.101 1.667 3.041 0.133 7 0 "[ . 1 . 2]" 1
835 1 8 CYS HA 1 13 ARG HA 5.000 . 5.000 2.036 1.928 2.344 . 0 0 "[ . 1 . 2]" 1
836 1 8 CYS QB 1 78 VAL HA 5.000 . 6.000 2.246 1.970 2.672 . 0 0 "[ . 1 . 2]" 1
837 1 8 CYS QB 1 78 VAL QG 5.000 . 8.400 2.603 1.965 3.169 . 0 0 "[ . 1 . 2]" 1
838 1 9 PHE HA 1 79 ALA MB 5.000 . 6.500 2.192 1.927 2.529 . 0 0 "[ . 1 . 2]" 1
839 1 9 PHE QB 1 12 THR HB 5.000 . 6.000 2.720 2.374 3.008 . 0 0 "[ . 1 . 2]" 1
840 1 9 PHE QD 1 14 VAL QG 5.000 . 7.100 2.505 1.885 3.736 . 0 0 "[ . 1 . 2]" 1
841 1 11 ARG HA 1 11 ARG QG 3.300 . 4.300 2.397 2.059 3.339 . 0 0 "[ . 1 . 2]" 1
842 1 12 THR HA 1 12 THR MG 2.700 . 4.200 2.384 2.190 2.494 . 0 0 "[ . 1 . 2]" 1
843 1 12 THR MG 1 14 VAL QG 3.300 . 7.200 2.469 2.030 3.815 . 0 0 "[ . 1 . 2]" 1
844 1 12 THR MG 1 39 ALA MB 3.300 . 6.300 3.197 2.911 3.605 . 0 0 "[ . 1 . 2]" 1
845 1 12 THR MG 1 40 VAL QG 3.300 . 7.200 3.261 2.127 3.916 . 0 0 "[ . 1 . 2]" 1
846 1 14 VAL QG 1 16 VAL QG 3.300 . 8.100 2.810 2.400 3.092 . 0 0 "[ . 1 . 2]" 1
847 1 14 VAL QG 1 32 ALA HA 3.300 . 5.700 2.950 2.047 3.531 . 0 0 "[ . 1 . 2]" 1
848 1 14 VAL QG 1 32 ALA MB 5.000 . 8.900 2.722 2.189 3.619 . 0 0 "[ . 1 . 2]" 1
849 1 14 VAL QG 1 36 TYR HA 5.000 . 7.400 2.473 2.087 3.223 . 0 0 "[ . 1 . 2]" 1
850 1 14 VAL QG 1 39 ALA MB 5.000 . 8.900 2.778 2.349 3.333 . 0 0 "[ . 1 . 2]" 1
851 1 16 VAL HA 1 16 VAL QG 2.700 . 4.400 2.083 1.980 2.151 . 0 0 "[ . 1 . 2]" 1
852 1 16 VAL HA 1 17 PRO QB 5.000 . 6.000 4.668 4.601 4.768 . 0 0 "[ . 1 . 2]" 1
853 1 16 VAL HA 1 17 PRO QD 3.300 . 4.300 2.033 1.977 2.063 . 0 0 "[ . 1 . 2]" 1
854 1 16 VAL HA 1 17 PRO QG 5.000 . 6.000 3.940 3.873 3.970 . 0 0 "[ . 1 . 2]" 1
855 1 16 VAL HB 1 28 LEU QD 5.000 . 7.400 2.593 2.027 4.196 . 0 0 "[ . 1 . 2]" 1
856 1 16 VAL QG 1 17 PRO QD 3.300 . 6.700 2.913 2.662 3.113 . 0 0 "[ . 1 . 2]" 1
857 1 16 VAL QG 1 23 MET ME 3.300 . 7.200 3.487 2.551 3.954 . 0 0 "[ . 1 . 2]" 1
858 1 16 VAL QG 1 28 LEU HA 2.700 . 5.100 3.138 2.617 3.485 . 0 0 "[ . 1 . 2]" 1
859 1 16 VAL QG 1 28 LEU QD 2.700 . 7.500 2.013 1.617 3.252 0.183 9 0 "[ . 1 . 2]" 1
860 1 16 VAL QG 1 31 GLN QB 3.300 . 6.700 2.597 2.087 2.868 . 0 0 "[ . 1 . 2]" 1
861 1 16 VAL QG 1 31 GLN QG 3.300 . 6.700 3.733 3.141 4.090 . 0 0 "[ . 1 . 2]" 1
862 1 16 VAL QG 1 32 ALA HA 2.700 . 5.100 2.784 2.478 3.018 . 0 0 "[ . 1 . 2]" 1
863 1 16 VAL QG 1 32 ALA MB 2.700 . 6.600 2.078 1.796 2.486 0.004 2 0 "[ . 1 . 2]" 1
864 1 16 VAL QG 1 35 ARG QD 5.000 . 8.400 4.190 3.101 5.515 . 0 0 "[ . 1 . 2]" 1
865 1 17 PRO HA 1 17 PRO QG 3.300 . 4.300 3.487 3.203 3.522 . 0 0 "[ . 1 . 2]" 1
866 1 17 PRO QB 1 17 PRO QD 3.300 . 5.300 2.847 2.811 2.874 . 0 0 "[ . 1 . 2]" 1
867 1 18 CYS HA 1 23 MET ME 2.700 . 4.200 3.300 3.065 3.496 . 0 0 "[ . 1 . 2]" 1
868 1 18 CYS QB 1 67 LEU QD 3.300 . 6.700 2.764 1.905 3.985 . 0 0 "[ . 1 . 2]" 1
869 1 21 GLY QA 1 68 CYS QB 5.000 . 7.000 3.277 2.225 4.538 . 0 0 "[ . 1 . 2]" 1
870 1 22 ARG HA 1 22 ARG QG 3.300 . 4.300 2.266 2.052 3.340 . 0 0 "[ . 1 . 2]" 1
871 1 22 ARG HA 1 66 ILE MG 2.700 . 4.200 2.398 1.900 2.776 . 0 0 "[ . 1 . 2]" 1
872 1 22 ARG QB 1 66 ILE MG 5.000 . 7.500 3.911 3.138 4.436 . 0 0 "[ . 1 . 2]" 1
873 1 22 ARG QD 1 66 ILE MG 5.000 . 7.500 4.551 3.273 5.362 . 0 0 "[ . 1 . 2]" 1
874 1 22 ARG QG 1 66 ILE MG 3.300 . 5.800 3.343 2.751 4.283 . 0 0 "[ . 1 . 2]" 1
875 1 23 MET QB 1 27 SER QB 5.000 . 7.000 3.334 2.729 3.715 . 0 0 "[ . 1 . 2]" 1
876 1 23 MET ME 1 23 MET QG 3.300 . 5.800 2.394 2.149 2.587 . 0 0 "[ . 1 . 2]" 1
877 1 23 MET ME 1 27 SER QB 3.300 . 5.800 3.270 2.694 3.931 . 0 0 "[ . 1 . 2]" 1
878 1 23 MET ME 1 28 LEU HA 2.700 . 4.200 3.204 2.064 3.436 . 0 0 "[ . 1 . 2]" 1
879 1 23 MET ME 1 28 LEU QD 3.300 . 7.200 3.199 1.742 4.378 0.058 16 0 "[ . 1 . 2]" 1
880 1 23 MET ME 1 31 GLN QG 3.300 . 5.800 3.000 2.500 3.671 . 0 0 "[ . 1 . 2]" 1
881 1 23 MET ME 1 67 LEU QD 5.000 . 8.900 3.326 1.764 3.782 0.036 16 0 "[ . 1 . 2]" 1
882 1 23 MET QG 1 27 SER QB 5.000 . 7.000 1.887 1.759 2.995 0.041 12 0 "[ . 1 . 2]" 1
883 1 24 LYS HA 1 24 LYS QD 3.300 . 4.300 3.643 2.328 3.922 . 0 0 "[ . 1 . 2]" 1
884 1 24 LYS HA 1 66 ILE HA 2.700 . 2.700 2.059 1.969 2.172 . 0 0 "[ . 1 . 2]" 1
885 1 24 LYS HA 1 66 ILE MD 5.000 . 6.500 2.603 1.984 2.826 . 0 0 "[ . 1 . 2]" 1
886 1 24 LYS HA 1 66 ILE MG 3.300 . 4.800 3.804 3.678 3.841 . 0 0 "[ . 1 . 2]" 1
887 1 24 LYS QB 1 64 ASP HA 5.000 . 6.000 3.679 2.918 4.599 . 0 0 "[ . 1 . 2]" 1
888 1 24 LYS QD 1 64 ASP HA 3.300 . 4.300 2.726 1.984 3.827 . 0 0 "[ . 1 . 2]" 1
889 1 24 LYS QD 1 66 ILE MD 5.000 . 7.500 3.382 1.974 4.192 . 0 0 "[ . 1 . 2]" 1
890 1 24 LYS QE 1 24 LYS QG 3.300 . 5.300 2.108 1.939 2.356 . 0 0 "[ . 1 . 2]" 1
891 1 24 LYS QE 1 66 ILE MD 3.300 . 5.800 3.189 1.964 4.232 . 0 0 "[ . 1 . 2]" 1
892 1 24 LYS QG 1 66 ILE MD 5.000 . 7.500 2.058 1.856 3.801 . 0 0 "[ . 1 . 2]" 1
893 1 25 VAL HA 1 25 VAL QG 2.700 . 4.400 2.092 2.048 2.141 . 0 0 "[ . 1 . 2]" 1
894 1 25 VAL HA 1 28 LEU QB 3.300 . 4.300 2.612 2.199 3.869 . 0 0 "[ . 1 . 2]" 1
895 1 25 VAL HA 1 28 LEU QD 3.300 . 5.700 3.190 1.868 4.126 . 0 0 "[ . 1 . 2]" 1
896 1 25 VAL HB 1 63 LEU HA 2.700 . 2.700 2.271 1.959 2.733 0.033 3 0 "[ . 1 . 2]" 1
897 1 25 VAL HB 1 63 LEU QD 5.000 . 7.400 4.270 3.565 4.744 . 0 0 "[ . 1 . 2]" 1
898 1 25 VAL QG 1 53 LEU QB 5.000 . 8.400 3.314 2.677 4.148 . 0 0 "[ . 1 . 2]" 1
899 1 25 VAL QG 1 53 LEU QD 2.700 . 7.500 2.400 1.859 3.516 . 0 0 "[ . 1 . 2]" 1
900 1 25 VAL QG 1 53 LEU HG 3.300 . 5.700 3.410 3.161 3.966 . 0 0 "[ . 1 . 2]" 1
901 1 25 VAL QG 1 61 LEU QB 3.300 . 6.700 2.253 1.962 2.947 . 0 0 "[ . 1 . 2]" 1
902 1 25 VAL QG 1 61 LEU QD 3.300 . 8.100 2.348 1.962 2.739 . 0 0 "[ . 1 . 2]" 1
903 1 25 VAL QG 1 61 LEU HG 3.300 . 5.700 4.117 3.841 4.248 . 0 0 "[ . 1 . 2]" 1
904 1 25 VAL QG 1 63 LEU HA 2.700 . 5.100 2.823 2.027 3.222 . 0 0 "[ . 1 . 2]" 1
905 1 25 VAL QG 1 63 LEU QD 2.700 . 7.500 3.445 2.731 3.844 . 0 0 "[ . 1 . 2]" 1
906 1 25 VAL QG 1 63 LEU HG 5.000 . 7.400 3.741 3.107 4.663 . 0 0 "[ . 1 . 2]" 1
907 1 25 VAL QG 1 65 ASP HA 5.000 . 7.400 4.144 3.558 4.425 . 0 0 "[ . 1 . 2]" 1
908 1 25 VAL QG 1 65 ASP QB 3.300 . 6.700 2.550 2.020 2.897 . 0 0 "[ . 1 . 2]" 1
909 1 25 VAL QG 1 67 LEU HA 3.300 . 5.700 3.121 2.770 3.490 . 0 0 "[ . 1 . 2]" 1
910 1 25 VAL QG 1 70 VAL QG 2.700 . 7.500 1.920 1.709 2.501 0.091 11 0 "[ . 1 . 2]" 1
911 1 26 PHE HA 1 29 ILE HB 3.300 . 3.300 3.038 2.758 3.260 . 0 0 "[ . 1 . 2]" 1
912 1 26 PHE HA 1 29 ILE MD 2.700 . 4.200 3.020 2.110 3.356 . 0 0 "[ . 1 . 2]" 1
913 1 26 PHE HA 1 29 ILE MG 5.000 . 6.500 4.275 4.036 4.517 . 0 0 "[ . 1 . 2]" 1
914 1 26 PHE HA 1 63 LEU QD 2.700 . 5.100 2.460 1.956 3.210 . 0 0 "[ . 1 . 2]" 1
915 1 26 PHE QB 1 63 LEU QB 5.000 . 7.000 1.975 1.894 2.177 . 0 0 "[ . 1 . 2]" 1
916 1 26 PHE QB 1 63 LEU QD 3.300 . 6.700 3.194 2.668 3.530 . 0 0 "[ . 1 . 2]" 1
917 1 27 SER HA 1 30 GLN QB 3.300 . 4.300 2.969 2.675 3.798 . 0 0 "[ . 1 . 2]" 1
918 1 27 SER HA 1 30 GLN QG 5.000 . 6.000 4.375 1.884 5.268 . 0 0 "[ . 1 . 2]" 1
919 1 28 LEU HA 1 28 LEU QD 2.700 . 4.400 2.653 1.891 3.362 . 0 0 "[ . 1 . 2]" 1
920 1 28 LEU HA 1 31 GLN QB 5.000 . 6.000 2.597 2.499 2.737 . 0 0 "[ . 1 . 2]" 1
921 1 28 LEU HA 1 31 GLN QG 5.000 . 6.000 3.724 2.739 4.542 . 0 0 "[ . 1 . 2]" 1
922 1 28 LEU QB 1 28 LEU QD 2.700 . 6.100 1.851 1.732 2.017 0.068 17 0 "[ . 1 . 2]" 1
923 1 28 LEU QB 1 67 LEU QD 5.000 . 8.400 2.267 1.827 2.940 . 0 0 "[ . 1 . 2]" 1
924 1 28 LEU QD 1 32 ALA MB 3.300 . 7.200 3.142 2.380 3.806 . 0 0 "[ . 1 . 2]" 1
925 1 28 LEU QD 1 53 LEU QD 2.700 . 7.500 2.778 2.019 3.572 . 0 0 "[ . 1 . 2]" 1
926 1 28 LEU QD 1 67 LEU QD 3.300 . 8.100 1.712 1.523 2.153 0.277 17 0 "[ . 1 . 2]" 1
927 1 28 LEU QD 1 77 LEU QD 5.000 . 9.800 3.064 2.595 4.119 . 0 0 "[ . 1 . 2]" 1
928 1 29 ILE HA 1 29 ILE MD 3.300 . 4.800 3.693 3.656 3.772 . 0 0 "[ . 1 . 2]" 1
929 1 29 ILE HA 1 29 ILE HG13 3.300 . 3.300 3.347 3.322 3.364 0.064 17 0 "[ . 1 . 2]" 1
930 1 29 ILE HA 1 29 ILE MG 2.700 . 4.200 2.352 2.242 2.404 . 0 0 "[ . 1 . 2]" 1
931 1 29 ILE HA 1 32 ALA MB 3.300 . 4.800 2.792 2.441 3.000 . 0 0 "[ . 1 . 2]" 1
932 1 29 ILE HA 1 53 LEU QD 3.300 . 5.700 3.149 2.768 3.604 . 0 0 "[ . 1 . 2]" 1
933 1 29 ILE HB 1 29 ILE MD 2.700 . 4.200 2.591 2.544 2.638 . 0 0 "[ . 1 . 2]" 1
934 1 29 ILE MD 1 29 ILE MG 2.700 . 5.700 1.861 1.722 1.954 0.078 10 0 "[ . 1 . 2]" 1
935 1 29 ILE MD 1 50 VAL QG 3.300 . 7.200 2.617 2.416 2.865 . 0 0 "[ . 1 . 2]" 1
936 1 29 ILE MD 1 52 ARG HA 5.000 . 6.500 2.997 2.460 3.552 . 0 0 "[ . 1 . 2]" 1
937 1 29 ILE MD 1 53 LEU QD 2.700 . 6.600 2.147 1.784 2.870 0.016 8 0 "[ . 1 . 2]" 1
938 1 29 ILE MD 1 53 LEU HG 3.300 . 4.800 2.498 1.893 3.588 . 0 0 "[ . 1 . 2]" 1
939 1 29 ILE MD 1 63 LEU HA 5.000 . 6.500 3.480 3.018 3.885 . 0 0 "[ . 1 . 2]" 1
940 1 29 ILE MD 1 63 LEU QB 5.000 . 7.500 3.488 2.744 4.274 . 0 0 "[ . 1 . 2]" 1
941 1 29 ILE MD 1 63 LEU QD 2.700 . 6.600 1.884 1.720 2.103 0.080 7 0 "[ . 1 . 2]" 1
942 1 29 ILE HG13 1 29 ILE MG 3.300 . 4.800 3.176 3.168 3.184 . 0 0 "[ . 1 . 2]" 1
943 1 29 ILE HG13 1 53 LEU QD 5.000 . 7.400 3.203 2.693 3.911 . 0 0 "[ . 1 . 2]" 1
944 1 29 ILE HG12 1 29 ILE MG 3.300 . 4.800 2.534 2.478 2.607 . 0 0 "[ . 1 . 2]" 1
945 1 29 ILE HG12 1 53 LEU QD 5.000 . 7.400 2.061 1.803 2.749 . 0 0 "[ . 1 . 2]" 1
946 1 29 ILE MG 1 30 GLN HA 3.300 . 4.800 3.645 3.450 3.800 . 0 0 "[ . 1 . 2]" 1
947 1 29 ILE MG 1 32 ALA MB 5.000 . 8.000 3.679 3.477 3.927 . 0 0 "[ . 1 . 2]" 1
948 1 29 ILE MG 1 33 VAL QG 2.700 . 6.600 2.190 1.838 3.247 . 0 0 "[ . 1 . 2]" 1
949 1 29 ILE MG 1 50 VAL HB 2.700 . 4.200 2.702 1.870 3.367 . 0 0 "[ . 1 . 2]" 1
950 1 29 ILE MG 1 50 VAL QG 2.700 . 6.600 1.673 1.526 1.779 0.274 6 0 "[ . 1 . 2]" 1
951 1 29 ILE MG 1 53 LEU QD 3.300 . 7.200 2.429 1.964 3.118 . 0 0 "[ . 1 . 2]" 1
952 1 30 GLN HA 1 30 GLN QG 3.300 . 4.300 2.334 2.083 3.346 . 0 0 "[ . 1 . 2]" 1
953 1 30 GLN HA 1 33 VAL HB 2.700 . 2.700 2.722 2.709 2.731 0.031 6 0 "[ . 1 . 2]" 1
954 1 30 GLN HA 1 33 VAL QG 3.300 . 5.700 2.632 2.120 2.893 . 0 0 "[ . 1 . 2]" 1
955 1 31 GLN HA 1 31 GLN QG 2.700 . 3.700 2.370 2.035 2.868 . 0 0 "[ . 1 . 2]" 1
956 1 31 GLN HA 1 34 THR HB 3.300 . 3.300 3.280 3.094 3.312 0.012 19 0 "[ . 1 . 2]" 1
957 1 31 GLN HA 1 34 THR MG 5.000 . 6.500 4.492 4.285 4.553 . 0 0 "[ . 1 . 2]" 1
958 1 32 ALA HA 1 35 ARG QB 5.000 . 6.000 2.573 2.349 2.801 . 0 0 "[ . 1 . 2]" 1
959 1 32 ALA MB 1 33 VAL QG 3.300 . 7.200 3.227 2.947 4.073 . 0 0 "[ . 1 . 2]" 1
960 1 33 VAL HA 1 33 VAL QG 2.700 . 4.400 2.121 2.066 2.152 . 0 0 "[ . 1 . 2]" 1
961 1 33 VAL HA 1 36 TYR QB 5.000 . 6.000 2.527 2.357 2.725 . 0 0 "[ . 1 . 2]" 1
962 1 33 VAL HB 1 50 VAL QG 5.000 . 7.400 3.438 2.613 3.722 . 0 0 "[ . 1 . 2]" 1
963 1 33 VAL QG 1 34 THR HA 5.000 . 7.400 3.290 2.857 3.521 . 0 0 "[ . 1 . 2]" 1
964 1 33 VAL QG 1 48 ILE HB 3.300 . 5.700 3.259 2.825 3.590 . 0 0 "[ . 1 . 2]" 1
965 1 33 VAL QG 1 48 ILE MD 3.300 . 7.200 2.785 2.531 3.142 . 0 0 "[ . 1 . 2]" 1
966 1 33 VAL QG 1 48 ILE MG 2.700 . 6.600 2.124 1.876 2.341 . 0 0 "[ . 1 . 2]" 1
967 1 33 VAL QG 1 50 VAL HB 5.000 . 7.400 3.538 1.899 3.918 . 0 0 "[ . 1 . 2]" 1
968 1 33 VAL QG 1 50 VAL QG 2.700 . 7.500 1.658 1.610 1.734 0.190 12 0 "[ . 1 . 2]" 1
969 1 34 THR HA 1 34 THR MG 2.700 . 4.200 2.407 2.338 2.502 . 0 0 "[ . 1 . 2]" 1
970 1 34 THR HA 1 37 ARG QB 5.000 . 6.000 3.524 2.922 4.371 . 0 0 "[ . 1 . 2]" 1
971 1 34 THR MG 1 35 ARG HA 5.000 . 6.500 3.654 3.498 3.768 . 0 0 "[ . 1 . 2]" 1
972 1 34 THR MG 1 38 LYS QD 5.000 . 7.500 3.988 2.528 5.476 . 0 0 "[ . 1 . 2]" 1
973 1 34 THR MG 1 38 LYS QE 3.300 . 5.800 3.806 2.986 4.149 . 0 0 "[ . 1 . 2]" 1
974 1 34 THR MG 1 38 LYS QG 5.000 . 7.500 3.316 2.450 4.607 . 0 0 "[ . 1 . 2]" 1
975 1 35 ARG HA 1 35 ARG QG 3.300 . 4.300 2.285 2.023 2.725 . 0 0 "[ . 1 . 2]" 1
976 1 35 ARG HA 1 38 LYS QB 3.300 . 4.300 2.640 2.359 3.180 . 0 0 "[ . 1 . 2]" 1
977 1 36 TYR HA 1 39 ALA MB 3.300 . 4.800 2.469 2.140 2.766 . 0 0 "[ . 1 . 2]" 1
978 1 37 ARG HA 1 40 VAL QG 3.300 . 5.700 2.034 1.829 2.422 . 0 0 "[ . 1 . 2]" 1
979 1 37 ARG HA 1 42 LYS QB 3.300 . 4.300 2.327 2.096 2.563 . 0 0 "[ . 1 . 2]" 1
980 1 37 ARG QB 1 42 LYS QB 5.000 . 7.000 3.086 2.242 3.688 . 0 0 "[ . 1 . 2]" 1
981 1 37 ARG HA 1 48 ILE MD 5.000 . 7.500 4.048 3.735 4.287 . 0 0 "[ . 1 . 2]" 1
982 1 37 ARG QD 1 44 PRO HA 5.000 . 6.000 3.313 2.668 3.911 . 0 0 "[ . 1 . 2]" 1
983 1 37 ARG QD 1 43 ASP HA 5.000 . 6.000 2.869 2.032 4.439 . 0 0 "[ . 1 . 2]" 1
984 1 37 ARG QB 1 43 ASP HA 5.000 . 6.000 3.981 3.354 4.947 . 0 0 "[ . 1 . 2]" 1
985 1 37 ARG QD 1 44 PRO QB 5.000 . 6.000 4.292 3.778 4.796 . 0 0 "[ . 1 . 2]" 1
986 1 37 ARG QD 1 44 PRO QG 5.000 . 6.000 4.116 3.556 4.796 . 0 0 "[ . 1 . 2]" 1
987 1 37 ARG QD 1 44 PRO QD 5.000 . 6.000 3.408 2.614 4.329 . 0 0 "[ . 1 . 2]" 1
988 1 37 ARG QD 1 48 ILE MD 3.300 . 5.800 2.781 1.818 3.937 . 0 0 "[ . 1 . 2]" 1
989 1 37 ARG QG 1 48 ILE MD 3.300 . 5.800 2.664 1.881 4.005 . 0 0 "[ . 1 . 2]" 1
990 1 38 LYS HA 1 38 LYS QG 3.300 . 4.300 2.696 2.154 2.908 . 0 0 "[ . 1 . 2]" 1
991 1 38 LYS HA 1 41 ALA HA 5.000 . 5.000 3.907 3.528 4.396 . 0 0 "[ . 1 . 2]" 1
992 1 38 LYS QB 1 38 LYS QD 3.300 . 5.300 2.357 2.083 2.896 . 0 0 "[ . 1 . 2]" 1
993 1 39 ALA MB 1 40 VAL HA 5.000 . 6.500 3.911 3.745 3.999 . 0 0 "[ . 1 . 2]" 1
994 1 39 ALA MB 1 40 VAL QG 3.300 . 7.200 3.551 2.740 3.859 . 0 0 "[ . 1 . 2]" 1
995 1 40 VAL HA 1 40 VAL HB 2.700 . 2.700 2.479 2.455 2.629 . 0 0 "[ . 1 . 2]" 1
996 1 40 VAL HA 1 40 VAL QG 2.700 . 4.400 2.185 1.994 2.337 . 0 0 "[ . 1 . 2]" 1
997 1 40 VAL HA 1 41 ALA MB 5.000 . 6.500 3.781 3.706 3.862 . 0 0 "[ . 1 . 2]" 1
998 1 40 VAL QG 1 42 LYS QB 5.000 . 8.400 2.040 1.852 2.476 . 0 0 "[ . 1 . 2]" 1
999 1 40 VAL QG 1 42 LYS QD 5.000 . 8.400 1.774 1.637 2.076 0.163 18 0 "[ . 1 . 2]" 1
1000 1 40 VAL QG 1 42 LYS QE 5.000 . 8.400 2.614 1.775 3.654 0.025 7 0 "[ . 1 . 2]" 1
1001 1 40 VAL QG 1 42 LYS QG 3.300 . 6.700 2.259 1.841 3.165 . 0 0 "[ . 1 . 2]" 1
1002 1 42 LYS HA 1 42 LYS QD 3.300 . 4.300 3.940 3.810 3.984 . 0 0 "[ . 1 . 2]" 1
1003 1 43 ASP HA 1 44 PRO QD 2.700 . 3.700 2.233 2.100 2.372 . 0 0 "[ . 1 . 2]" 1
1004 1 43 ASP HA 1 44 PRO QG 5.000 . 6.000 4.046 3.863 4.274 . 0 0 "[ . 1 . 2]" 1
1005 1 43 ASP QB 1 44 PRO QD 5.000 . 7.000 1.956 1.925 2.143 . 0 0 "[ . 1 . 2]" 1
1006 1 43 ASP QB 1 45 ASN QB 5.000 . 7.000 3.205 2.796 3.560 . 0 0 "[ . 1 . 2]" 1
1007 1 48 ILE HA 1 48 ILE HG13 3.300 . 3.300 2.947 2.922 3.002 . 0 0 "[ . 1 . 2]" 1
1008 1 48 ILE HA 1 48 ILE MG 3.300 . 4.800 2.379 2.291 2.419 . 0 0 "[ . 1 . 2]" 1
1009 1 48 ILE HA 1 83 GLU HA 2.700 . 2.700 2.705 2.597 2.739 0.039 12 0 "[ . 1 . 2]" 1
1010 1 48 ILE HB 1 48 ILE MD 3.300 . 4.800 2.245 2.213 2.292 . 0 0 "[ . 1 . 2]" 1
1011 1 48 ILE MD 1 48 ILE MG 2.700 . 5.700 2.240 2.138 2.331 . 0 0 "[ . 1 . 2]" 1
1012 1 48 ILE MD 1 83 GLU HA 5.000 . 6.500 4.856 4.738 5.025 . 0 0 "[ . 1 . 2]" 1
1013 1 48 ILE HG13 1 48 ILE MG 3.300 . 4.800 3.180 3.172 3.195 . 0 0 "[ . 1 . 2]" 1
1014 1 48 ILE MG 1 83 GLU HA 5.000 . 6.500 4.065 3.860 4.159 . 0 0 "[ . 1 . 2]" 1
1015 1 49 GLN HA 1 49 GLN QG 2.700 . 3.700 2.209 2.049 2.423 . 0 0 "[ . 1 . 2]" 1
1016 1 50 VAL HA 1 50 VAL QG 2.700 . 4.400 2.034 1.961 2.245 . 0 0 "[ . 1 . 2]" 1
1017 1 50 VAL HA 1 81 PHE HA 2.700 . 2.700 2.695 2.414 2.735 0.035 12 0 "[ . 1 . 2]" 1
1018 1 50 VAL HA 1 81 PHE QB 3.300 . 4.300 1.855 1.811 1.982 . 0 0 "[ . 1 . 2]" 1
1019 1 50 VAL QG 1 53 LEU QD 2.700 . 7.500 2.829 2.543 3.688 . 0 0 "[ . 1 . 2]" 1
1020 1 50 VAL QG 1 79 ALA MB 3.300 . 7.200 3.305 2.873 3.581 . 0 0 "[ . 1 . 2]" 1
1021 1 50 VAL QG 1 81 PHE HA 5.000 . 7.400 3.768 3.702 3.857 . 0 0 "[ . 1 . 2]" 1
1022 1 50 VAL QG 1 81 PHE QB 3.300 . 6.700 2.310 2.138 2.443 . 0 0 "[ . 1 . 2]" 1
1023 1 51 HIS QB 1 80 VAL QG 5.000 . 8.400 2.733 2.167 2.988 . 0 0 "[ . 1 . 2]" 1
1024 1 52 ARG QB 1 52 ARG QD 3.300 . 5.300 2.050 1.911 2.165 . 0 0 "[ . 1 . 2]" 1
1025 1 52 ARG QB 1 80 VAL QG 5.000 . 8.400 4.805 3.260 5.090 . 0 0 "[ . 1 . 2]" 1
1026 1 52 ARG QD 1 60 ILE MD 5.000 . 7.500 4.023 3.385 5.474 . 0 0 "[ . 1 . 2]" 1
1027 1 52 ARG QD 1 60 ILE MG 3.300 . 5.800 2.658 1.966 4.106 . 0 0 "[ . 1 . 2]" 1
1028 1 52 ARG QG 1 80 VAL HB 5.000 . 6.000 3.368 2.754 4.867 . 0 0 "[ . 1 . 2]" 1
1029 1 52 ARG QG 1 80 VAL QG 3.300 . 6.700 3.478 2.876 4.126 . 0 0 "[ . 1 . 2]" 1
1030 1 53 LEU HA 1 53 LEU QD 2.700 . 4.400 2.259 1.925 2.666 . 0 0 "[ . 1 . 2]" 1
1031 1 53 LEU HA 1 79 ALA HA 3.300 . 3.300 2.497 2.131 2.780 . 0 0 "[ . 1 . 2]" 1
1032 1 53 LEU HA 1 79 ALA MB 5.000 . 6.500 3.856 3.375 4.203 . 0 0 "[ . 1 . 2]" 1
1033 1 53 LEU QB 1 61 LEU QD 5.000 . 8.400 2.046 1.755 2.398 0.045 20 0 "[ . 1 . 2]" 1
1034 1 53 LEU QD 1 61 LEU QD 2.700 . 7.500 2.733 2.172 3.232 . 0 0 "[ . 1 . 2]" 1
1035 1 53 LEU QD 1 79 ALA HA 2.700 . 5.100 1.970 1.761 2.184 0.039 5 0 "[ . 1 . 2]" 1
1036 1 53 LEU QD 1 79 ALA MB 3.300 . 7.200 1.880 1.642 2.249 0.158 9 0 "[ . 1 . 2]" 1
1037 1 53 LEU HG 1 61 LEU QD 5.000 . 7.400 3.873 2.905 4.587 . 0 0 "[ . 1 . 2]" 1
1038 1 53 LEU HG 1 79 ALA HA 5.000 . 5.000 4.404 3.751 4.813 . 0 0 "[ . 1 . 2]" 1
1039 1 54 GLU HA 1 54 GLU QG 3.300 . 4.300 2.309 2.056 2.542 . 0 0 "[ . 1 . 2]" 1
1040 1 54 GLU HA 1 60 ILE HA 2.700 . 2.700 2.117 1.947 2.370 . 0 0 "[ . 1 . 2]" 1
1041 1 54 GLU HA 1 60 ILE MG 5.000 . 6.500 3.356 3.065 3.774 . 0 0 "[ . 1 . 2]" 1
1042 1 54 GLU HA 1 61 LEU QD 3.300 . 5.700 2.406 1.892 3.106 . 0 0 "[ . 1 . 2]" 1
1043 1 54 GLU QB 1 78 VAL QG 3.300 . 6.700 2.916 1.793 3.830 0.007 6 0 "[ . 1 . 2]" 1
1044 1 54 GLU QG 1 60 ILE HA 3.300 . 4.300 2.409 1.972 3.131 . 0 0 "[ . 1 . 2]" 1
1045 1 55 HIS HA 1 77 LEU HA 5.000 . 5.000 2.730 2.308 3.024 . 0 0 "[ . 1 . 2]" 1
1046 1 55 HIS HA 1 77 LEU QD 2.700 . 5.100 2.078 1.820 3.124 . 0 0 "[ . 1 . 2]" 1
1047 1 56 GLY QA 1 78 VAL QG 3.300 . 6.700 2.824 2.037 3.679 . 0 0 "[ . 1 . 2]" 1
1048 1 60 ILE HA 1 60 ILE HG13 3.300 . 3.300 3.302 3.238 3.484 0.184 15 0 "[ . 1 . 2]" 1
1049 1 60 ILE HA 1 60 ILE HG12 3.300 . 3.300 2.689 2.541 3.351 0.051 15 0 "[ . 1 . 2]" 1
1050 1 60 ILE HA 1 60 ILE MG 2.700 . 4.200 2.277 2.166 2.440 . 0 0 "[ . 1 . 2]" 1
1051 1 60 ILE HA 1 61 LEU QD 5.000 . 7.400 3.173 2.439 4.099 . 0 0 "[ . 1 . 2]" 1
1052 1 60 ILE HB 1 60 ILE MD 2.700 . 4.200 2.575 2.411 3.184 . 0 0 "[ . 1 . 2]" 1
1053 1 60 ILE HB 1 60 ILE HG13 2.700 . 2.700 2.452 2.409 2.650 . 0 0 "[ . 1 . 2]" 1
1054 1 60 ILE MD 1 60 ILE MG 2.700 . 5.700 1.903 1.703 2.428 0.097 2 0 "[ . 1 . 2]" 1
1055 1 60 ILE HG13 1 60 ILE MG 2.700 . 4.200 3.037 2.109 3.202 . 0 0 "[ . 1 . 2]" 1
1056 1 60 ILE HG12 1 60 ILE MG 2.700 . 4.200 2.586 2.475 3.117 . 0 0 "[ . 1 . 2]" 1
1057 1 60 ILE MG 1 62 ASP HA 5.000 . 6.500 4.104 3.808 4.555 . 0 0 "[ . 1 . 2]" 1
1058 1 61 LEU HA 1 61 LEU QD 2.700 . 4.400 3.032 2.573 3.389 . 0 0 "[ . 1 . 2]" 1
1059 1 61 LEU HA 1 61 LEU HG 3.300 . 3.300 2.726 2.404 3.505 0.205 6 0 "[ . 1 . 2]" 1
1060 1 61 LEU HA 1 70 VAL QG 5.000 . 7.400 3.041 2.189 3.730 . 0 0 "[ . 1 . 2]" 1
1061 1 61 LEU QB 1 70 VAL QG 3.300 . 6.700 2.693 1.775 3.817 0.025 6 0 "[ . 1 . 2]" 1
1062 1 61 LEU QD 1 70 VAL HB 3.300 . 5.700 2.982 1.828 4.210 . 0 0 "[ . 1 . 2]" 1
1063 1 61 LEU QD 1 70 VAL QG 2.700 . 7.500 1.862 1.551 2.616 0.249 10 0 "[ . 1 . 2]" 1
1064 1 61 LEU QD 1 71 ALA MB 3.300 . 7.200 2.839 2.338 3.279 . 0 0 "[ . 1 . 2]" 1
1065 1 61 LEU QD 1 77 LEU QD 5.000 . 9.800 1.760 1.595 2.100 0.205 1 0 "[ . 1 . 2]" 1
1066 1 61 LEU HG 1 77 LEU QD 5.000 . 7.400 3.649 3.199 3.837 . 0 0 "[ . 1 . 2]" 1
1067 1 63 LEU HA 1 63 LEU QD 2.700 . 4.400 2.975 2.237 3.261 . 0 0 "[ . 1 . 2]" 1
1068 1 63 LEU HA 1 63 LEU HG 3.300 . 3.300 2.906 2.711 3.300 0.000 4 0 "[ . 1 . 2]" 1
1069 1 63 LEU QB 1 63 LEU QD 2.700 . 6.100 1.836 1.779 1.929 0.021 18 0 "[ . 1 . 2]" 1
1070 1 65 ASP QB 1 70 VAL QG 3.300 . 6.700 2.053 1.615 2.802 0.185 19 0 "[ . 1 . 2]" 1
1071 1 66 ILE HA 1 66 ILE MD 3.300 . 4.800 1.982 1.940 2.104 . 0 0 "[ . 1 . 2]" 1
1072 1 66 ILE HA 1 66 ILE MG 2.700 . 4.200 2.480 2.457 2.513 . 0 0 "[ . 1 . 2]" 1
1073 1 66 ILE HB 1 69 ASP QB 5.000 . 6.000 2.047 1.890 2.406 . 0 0 "[ . 1 . 2]" 1
1074 1 66 ILE MD 1 66 ILE MG 2.700 . 5.700 1.909 1.810 2.012 . 0 0 "[ . 1 . 2]" 1
1075 1 66 ILE MD 1 67 LEU HA 5.000 . 6.500 5.316 5.261 5.392 . 0 0 "[ . 1 . 2]" 1
1076 1 66 ILE HG13 1 66 ILE MG 3.300 . 4.800 2.367 2.298 2.408 . 0 0 "[ . 1 . 2]" 1
1077 1 66 ILE HG12 1 66 ILE MG 3.300 . 4.800 3.201 3.192 3.203 . 0 0 "[ . 1 . 2]" 1
1078 1 67 LEU HA 1 67 LEU QD 2.700 . 4.400 2.166 1.864 2.671 . 0 0 "[ . 1 . 2]" 1
1079 1 67 LEU HA 1 70 VAL QG 2.700 . 5.100 2.594 2.053 3.437 . 0 0 "[ . 1 . 2]" 1
1080 1 67 LEU QD 1 70 VAL QG 2.700 . 7.500 3.255 2.771 3.722 . 0 0 "[ . 1 . 2]" 1
1081 1 67 LEU QD 1 71 ALA MB 2.700 . 6.600 2.074 1.680 2.974 0.120 18 0 "[ . 1 . 2]" 1
1082 1 67 LEU QD 1 77 LEU QD 3.300 . 8.100 3.548 3.003 4.112 . 0 0 "[ . 1 . 2]" 1
1083 1 69 ASP QB 1 70 VAL QG 5.000 . 8.400 3.129 2.482 3.813 . 0 0 "[ . 1 . 2]" 1
1084 1 70 VAL HA 1 70 VAL HB 2.700 . 2.700 2.501 2.435 2.975 0.275 1 0 "[ . 1 . 2]" 1
1085 1 70 VAL HA 1 70 VAL QG 2.700 . 4.400 2.249 2.114 2.333 . 0 0 "[ . 1 . 2]" 1
1086 1 70 VAL QG 1 71 ALA MB 3.300 . 7.200 2.646 2.427 3.594 . 0 0 "[ . 1 . 2]" 1
1087 1 71 ALA MB 1 75 ASP QB 5.000 . 7.500 3.505 2.873 4.017 . 0 0 "[ . 1 . 2]" 1
1088 1 71 ALA MB 1 77 LEU QD 3.300 . 7.200 2.497 2.231 2.847 . 0 0 "[ . 1 . 2]" 1
1089 1 74 LYS HA 1 74 LYS QG 3.300 . 4.300 2.383 2.034 3.378 . 0 0 "[ . 1 . 2]" 1
1090 1 74 LYS QE 1 74 LYS QG 3.300 . 5.300 2.073 1.944 2.242 . 0 0 "[ . 1 . 2]" 1
1091 1 75 ASP QB 1 77 LEU QD 5.000 . 8.400 3.050 2.396 3.524 . 0 0 "[ . 1 . 2]" 1
1092 1 77 LEU HA 1 77 LEU QD 3.300 . 5.000 2.673 2.269 3.182 . 0 0 "[ . 1 . 2]" 1
1093 1 77 LEU HA 1 78 VAL QG 5.000 . 7.400 3.295 3.137 3.848 . 0 0 "[ . 1 . 2]" 1
1094 1 77 LEU QB 1 77 LEU QD 2.700 . 6.100 1.842 1.755 1.908 0.045 20 0 "[ . 1 . 2]" 1
1095 1 78 VAL HA 1 78 VAL QG 2.700 . 4.400 2.128 2.061 2.328 . 0 0 "[ . 1 . 2]" 1
1096 1 79 ALA HA 1 80 VAL QG 5.000 . 7.400 3.519 3.359 3.666 . 0 0 "[ . 1 . 2]" 1
1097 1 79 ALA MB 1 81 PHE QB 5.000 . 7.500 3.986 3.720 4.141 . 0 0 "[ . 1 . 2]" 1
1098 1 80 VAL HA 1 80 VAL QG 2.700 . 4.400 2.093 2.037 2.177 . 0 0 "[ . 1 . 2]" 1
1099 1 82 ASP QB 1 84 GLN QB 5.000 . 7.000 5.261 5.198 5.317 . 0 0 "[ . 1 . 2]" 1
1100 1 83 GLU HA 1 83 GLU QG 3.300 . 4.300 3.279 2.404 3.385 . 0 0 "[ . 1 . 2]" 1
1101 1 84 GLN HA 1 84 GLN QG 3.300 . 4.300 2.491 2.347 2.592 . 0 0 "[ . 1 . 2]" 1
1102 1 3 PHE HA 1 3 PHE QD 3.300 . 5.300 2.961 2.512 3.032 . 0 0 "[ . 1 . 2]" 1
1103 1 3 PHE HA 1 3 PHE QE 5.000 . 7.000 4.448 4.291 4.512 . 0 0 "[ . 1 . 2]" 1
1104 1 3 PHE QB 1 3 PHE QD 2.700 . 5.700 2.125 2.122 2.130 . 0 0 "[ . 1 . 2]" 1
1105 1 3 PHE QD 1 5 VAL QG 2.700 . 7.100 2.358 1.932 2.554 . 0 0 "[ . 1 . 2]" 1
1106 1 3 PHE QD 1 67 LEU QD 2.700 . 7.100 2.597 2.047 3.263 . 0 0 "[ . 1 . 2]" 1
1107 1 3 PHE QD 1 73 ASP HA 5.000 . 7.000 3.473 3.197 3.707 . 0 0 "[ . 1 . 2]" 1
1108 1 3 PHE QE 1 5 VAL QG 2.700 . 7.100 2.047 1.875 2.213 . 0 0 "[ . 1 . 2]" 1
1109 1 3 PHE QE 1 67 LEU QD 2.700 . 7.100 2.694 1.860 3.649 . 0 0 "[ . 1 . 2]" 1
1110 1 3 PHE QE 1 67 LEU HG 2.700 . 4.700 3.581 2.625 4.591 . 0 0 "[ . 1 . 2]" 1
1111 1 3 PHE QE 1 71 ALA MB 3.300 . 6.800 2.149 1.935 2.742 . 0 0 "[ . 1 . 2]" 1
1112 1 3 PHE QE 1 73 ASP HA 5.000 . 7.000 3.646 3.278 4.040 . 0 0 "[ . 1 . 2]" 1
1113 1 7 VAL HB 1 9 PHE QD 5.000 . 7.000 3.453 2.702 4.713 . 0 0 "[ . 1 . 2]" 1
1114 1 7 VAL HB 1 9 PHE QE 2.700 . 4.700 2.727 1.989 4.443 . 0 0 "[ . 1 . 2]" 1
1115 1 7 VAL QG 1 9 PHE QE 2.700 . 7.100 2.352 1.891 2.797 . 0 0 "[ . 1 . 2]" 1
1116 1 9 PHE HA 1 9 PHE QE 5.000 . 7.000 4.454 4.341 4.627 . 0 0 "[ . 1 . 2]" 1
1117 1 9 PHE QB 1 36 TYR QD 5.000 . 8.000 2.461 1.954 3.304 . 0 0 "[ . 1 . 2]" 1
1118 1 9 PHE QB 1 36 TYR QE 3.300 . 6.300 2.958 2.443 3.508 . 0 0 "[ . 1 . 2]" 1
1119 1 9 PHE QB 1 81 PHE HZ 3.300 . 4.300 2.663 2.301 3.010 . 0 0 "[ . 1 . 2]" 1
1120 1 9 PHE QD 1 12 THR MG 5.000 . 8.500 4.506 3.626 5.396 . 0 0 "[ . 1 . 2]" 1
1121 1 9 PHE QD 1 32 ALA MB 3.300 . 6.800 3.663 3.344 3.923 . 0 0 "[ . 1 . 2]" 1
1122 1 9 PHE QD 1 36 TYR QB 5.000 . 8.000 2.809 2.141 3.444 . 0 0 "[ . 1 . 2]" 1
1123 1 9 PHE QD 1 36 TYR QD 3.300 . 7.300 3.167 2.211 3.650 . 0 0 "[ . 1 . 2]" 1
1124 1 9 PHE QD 1 36 TYR QE 3.300 . 7.300 4.284 3.819 4.719 . 0 0 "[ . 1 . 2]" 1
1125 1 9 PHE QD 1 50 VAL QG 2.700 . 7.100 3.740 3.170 4.298 . 0 0 "[ . 1 . 2]" 1
1126 1 9 PHE QD 1 79 ALA MB 2.700 . 6.200 2.587 2.146 3.038 . 0 0 "[ . 1 . 2]" 1
1127 1 9 PHE QD 1 81 PHE QD 3.300 . 7.300 3.087 2.532 3.563 . 0 0 "[ . 1 . 2]" 1
1128 1 9 PHE QD 1 81 PHE QE 3.300 . 7.300 3.072 2.555 3.866 . 0 0 "[ . 1 . 2]" 1
1129 1 9 PHE QD 1 81 PHE HZ 5.000 . 7.000 3.779 2.841 4.524 . 0 0 "[ . 1 . 2]" 1
1130 1 9 PHE QE 1 14 VAL QG 2.700 . 7.100 3.071 2.171 4.472 . 0 0 "[ . 1 . 2]" 1
1131 1 9 PHE QE 1 29 ILE MG 2.700 . 6.200 3.378 2.885 3.799 . 0 0 "[ . 1 . 2]" 1
1132 1 9 PHE QE 1 32 ALA MB 2.700 . 6.200 1.911 1.806 2.205 . 0 0 "[ . 1 . 2]" 1
1133 1 9 PHE QE 1 33 VAL HA 2.700 . 4.700 2.826 1.996 3.304 . 0 0 "[ . 1 . 2]" 1
1134 1 9 PHE QE 1 33 VAL QG 2.700 . 7.100 2.210 1.842 3.076 . 0 0 "[ . 1 . 2]" 1
1135 1 9 PHE QE 1 36 TYR QB 2.700 . 5.700 3.318 2.590 3.892 . 0 0 "[ . 1 . 2]" 1
1136 1 9 PHE QE 1 36 TYR QD 3.300 . 7.300 4.439 3.959 4.914 . 0 0 "[ . 1 . 2]" 1
1137 1 9 PHE QE 1 36 TYR QE 5.000 . 9.000 5.796 5.413 6.211 . 0 0 "[ . 1 . 2]" 1
1138 1 9 PHE QE 1 50 VAL QG 2.700 . 7.100 2.429 1.819 3.059 . 0 0 "[ . 1 . 2]" 1
1139 1 9 PHE QE 1 53 LEU QD 5.000 . 9.400 3.639 3.099 4.401 . 0 0 "[ . 1 . 2]" 1
1140 1 9 PHE QE 1 79 ALA MB 2.700 . 6.200 2.881 2.564 3.268 . 0 0 "[ . 1 . 2]" 1
1141 1 12 THR HB 1 36 TYR QD 3.300 . 5.300 2.543 2.029 3.116 . 0 0 "[ . 1 . 2]" 1
1142 1 12 THR HB 1 36 TYR QE 2.700 . 4.700 2.136 1.981 2.624 . 0 0 "[ . 1 . 2]" 1
1143 1 12 THR MG 1 36 TYR QD 2.700 . 6.200 2.443 1.938 3.078 . 0 0 "[ . 1 . 2]" 1
1144 1 12 THR MG 1 36 TYR QE 2.700 . 6.200 2.988 2.102 3.415 . 0 0 "[ . 1 . 2]" 1
1145 1 26 PHE HA 1 26 PHE QD 3.300 . 5.300 2.694 1.990 3.162 . 0 0 "[ . 1 . 2]" 1
1146 1 26 PHE QB 1 26 PHE QD 2.700 . 5.700 2.144 2.124 2.181 . 0 0 "[ . 1 . 2]" 1
1147 1 26 PHE QD 1 27 SER HA 3.300 . 5.300 3.626 2.761 4.627 . 0 0 "[ . 1 . 2]" 1
1148 1 26 PHE QD 1 27 SER QB 5.000 . 8.000 4.618 3.679 5.560 . 0 0 "[ . 1 . 2]" 1
1149 1 26 PHE QD 1 29 ILE MD 5.000 . 8.500 4.087 2.913 4.915 . 0 0 "[ . 1 . 2]" 1
1150 1 26 PHE QD 1 63 LEU QB 3.300 . 6.300 2.044 1.806 2.660 . 0 0 "[ . 1 . 2]" 1
1151 1 26 PHE QD 1 63 LEU QD 3.300 . 7.700 2.199 1.832 2.810 . 0 0 "[ . 1 . 2]" 1
1152 1 26 PHE QE 1 63 LEU QD 5.000 . 9.400 2.884 2.265 3.213 . 0 0 "[ . 1 . 2]" 1
1153 1 33 VAL HA 1 36 TYR QD 3.300 . 5.300 3.927 3.278 4.560 . 0 0 "[ . 1 . 2]" 1
1154 1 33 VAL QG 1 36 TYR QD 5.000 . 9.400 3.551 3.047 4.090 . 0 0 "[ . 1 . 2]" 1
1155 1 36 TYR HA 1 36 TYR QD 2.700 . 4.700 2.816 2.421 3.178 . 0 0 "[ . 1 . 2]" 1
1156 1 36 TYR QD 1 37 ARG HA 5.000 . 7.000 3.301 2.539 4.055 . 0 0 "[ . 1 . 2]" 1
1157 1 36 TYR HA 1 36 TYR QE 3.300 . 5.300 4.791 4.623 4.938 . 0 0 "[ . 1 . 2]" 1
1158 1 36 TYR QB 1 36 TYR QD 2.700 . 5.700 2.142 2.136 2.176 . 0 0 "[ . 1 . 2]" 1
1159 1 36 TYR QD 1 39 ALA MB 3.300 . 6.800 4.079 3.332 4.552 . 0 0 "[ . 1 . 2]" 1
1160 1 36 TYR QD 1 40 VAL QG 3.300 . 7.700 3.224 2.718 3.638 . 0 0 "[ . 1 . 2]" 1
1161 1 36 TYR QD 1 48 ILE MD 2.700 . 6.200 3.008 2.638 3.295 . 0 0 "[ . 1 . 2]" 1
1162 1 36 TYR QD 1 48 ILE MG 3.300 . 6.800 3.792 3.239 4.464 . 0 0 "[ . 1 . 2]" 1
1163 1 36 TYR QE 1 39 ALA MB 5.000 . 8.500 5.321 4.744 5.648 . 0 0 "[ . 1 . 2]" 1
1164 1 36 TYR QE 1 40 VAL QG 2.700 . 7.100 2.788 2.324 3.222 . 0 0 "[ . 1 . 2]" 1
1165 1 36 TYR QE 1 46 TYR QE 3.300 . 7.300 3.420 2.716 3.889 . 0 0 "[ . 1 . 2]" 1
1166 1 36 TYR QE 1 48 ILE MD 2.700 . 6.200 3.271 3.105 3.503 . 0 0 "[ . 1 . 2]" 1
1167 1 36 TYR QE 1 48 ILE MG 3.300 . 6.800 3.850 3.357 4.478 . 0 0 "[ . 1 . 2]" 1
1168 1 36 TYR QE 1 81 PHE QD 5.000 . 9.000 4.644 4.230 5.236 . 0 0 "[ . 1 . 2]" 1
1169 1 36 TYR QE 1 81 PHE QE 3.300 . 7.300 2.612 1.969 3.424 . 0 0 "[ . 1 . 2]" 1
1170 1 36 TYR QE 1 81 PHE HZ 5.000 . 7.000 2.793 2.261 3.086 . 0 0 "[ . 1 . 2]" 1
1171 1 37 ARG QB 1 46 TYR QE 5.000 . 8.000 3.513 2.363 4.209 . 0 0 "[ . 1 . 2]" 1
1172 1 37 ARG QG 1 46 TYR QE 5.000 . 8.000 2.868 1.892 4.820 . 0 0 "[ . 1 . 2]" 1
1173 1 42 LYS QB 1 46 TYR QD 5.000 . 8.000 3.428 3.362 3.659 . 0 0 "[ . 1 . 2]" 1
1174 1 42 LYS QB 1 46 TYR QE 3.300 . 6.300 1.953 1.836 2.453 . 0 0 "[ . 1 . 2]" 1
1175 1 42 LYS QD 1 46 TYR QD 5.000 . 8.000 4.002 3.467 4.684 . 0 0 "[ . 1 . 2]" 1
1176 1 42 LYS QD 1 46 TYR QE 5.000 . 8.000 2.758 2.529 3.121 . 0 0 "[ . 1 . 2]" 1
1177 1 42 LYS QG 1 46 TYR QD 5.000 . 8.000 3.891 2.931 4.404 . 0 0 "[ . 1 . 2]" 1
1178 1 42 LYS QG 1 46 TYR QE 5.000 . 8.000 3.365 2.698 3.800 . 0 0 "[ . 1 . 2]" 1
1179 1 46 TYR HA 1 46 TYR QD 2.700 . 4.700 3.719 3.643 3.736 . 0 0 "[ . 1 . 2]" 1
1180 1 46 TYR HA 1 46 TYR QE 5.000 . 7.000 5.638 5.624 5.647 . 0 0 "[ . 1 . 2]" 1
1181 1 46 TYR QB 1 46 TYR QD 2.700 . 5.700 2.144 2.137 2.180 . 0 0 "[ . 1 . 2]" 1
1182 1 46 TYR QD 1 48 ILE MD 2.700 . 6.200 3.692 3.561 3.802 . 0 0 "[ . 1 . 2]" 1
1183 1 46 TYR QD 1 48 ILE HG12 3.300 . 5.300 3.599 3.430 3.808 . 0 0 "[ . 1 . 2]" 1
1184 1 46 TYR QD 1 83 GLU QB 5.000 . 8.000 2.311 1.980 2.560 . 0 0 "[ . 1 . 2]" 1
1185 1 46 TYR QE 1 48 ILE MD 2.700 . 6.200 2.536 2.345 2.671 . 0 0 "[ . 1 . 2]" 1
1186 1 46 TYR QE 1 48 ILE HG13 3.300 . 5.300 3.300 3.085 3.658 . 0 0 "[ . 1 . 2]" 1
1187 1 46 TYR QE 1 48 ILE HG12 5.000 . 7.000 2.229 1.993 2.887 . 0 0 "[ . 1 . 2]" 1
1188 1 46 TYR QE 1 83 GLU QB 3.300 . 6.300 1.863 1.818 1.988 . 0 0 "[ . 1 . 2]" 1
1189 1 46 TYR QE 1 83 GLU QG 5.000 . 8.000 3.723 2.015 4.006 . 0 0 "[ . 1 . 2]" 1
1190 1 47 TRP QB 1 47 TRP HD1 3.300 . 4.300 2.905 2.894 2.916 . 0 0 "[ . 1 . 2]" 1
1191 1 47 TRP HD1 1 84 GLN HA 3.300 . 3.300 3.393 3.335 3.522 0.222 13 0 "[ . 1 . 2]" 1
1192 1 47 TRP HE3 1 49 GLN QG 5.000 . 6.000 3.858 3.309 5.307 . 0 0 "[ . 1 . 2]" 1
1193 1 47 TRP HE3 1 82 ASP QB 5.000 . 6.000 5.264 5.063 5.411 . 0 0 "[ . 1 . 2]" 1
1194 1 47 TRP HZ2 1 49 GLN QG 5.000 . 6.000 4.555 4.014 5.125 . 0 0 "[ . 1 . 2]" 1
1195 1 47 TRP HZ3 1 49 GLN QG 5.000 . 6.000 2.279 1.956 3.901 . 0 0 "[ . 1 . 2]" 1
1196 1 47 TRP HZ3 1 82 ASP QB 5.000 . 6.000 4.733 4.548 4.858 . 0 0 "[ . 1 . 2]" 1
1197 1 48 ILE MG 1 81 PHE QD 2.700 . 6.200 1.885 1.781 2.244 0.019 12 0 "[ . 1 . 2]" 1
1198 1 48 ILE MG 1 81 PHE QE 3.300 . 6.800 2.594 2.361 2.945 . 0 0 "[ . 1 . 2]" 1
1199 1 51 HIS QB 1 51 HIS HD2 2.700 . 3.700 2.651 2.625 2.732 . 0 0 "[ . 1 . 2]" 1
1200 1 51 HIS HD2 1 80 VAL HB 5.000 . 5.000 3.784 3.421 4.531 . 0 0 "[ . 1 . 2]" 1
1201 1 51 HIS HD2 1 80 VAL QG 2.700 . 5.100 2.245 1.942 2.858 . 0 0 "[ . 1 . 2]" 1
1202 1 51 HIS HD2 1 81 PHE HA 2.700 . 2.700 2.289 2.020 2.569 . 0 0 "[ . 1 . 2]" 1
1203 1 55 HIS HD2 1 61 LEU QD 5.000 . 7.400 2.822 2.125 3.241 . 0 0 "[ . 1 . 2]" 1
1204 1 55 HIS HD2 1 60 ILE HA 5.000 . 5.000 4.883 3.918 5.004 0.004 7 0 "[ . 1 . 2]" 1
1205 1 55 HIS HD2 1 59 GLY QA 5.000 . 5.000 2.292 1.975 2.558 . 0 0 "[ . 1 . 2]" 1
1206 1 55 HIS HE1 1 75 ASP QB 5.000 . 6.000 3.433 2.890 3.842 . 0 0 "[ . 1 . 2]" 1
1207 1 79 ALA MB 1 81 PHE QD 2.700 . 6.200 3.563 2.592 4.579 . 0 0 "[ . 1 . 2]" 1
1208 1 79 ALA MB 1 81 PHE QE 3.300 . 6.800 4.218 3.276 5.184 . 0 0 "[ . 1 . 2]" 1
1209 1 81 PHE HA 1 81 PHE QD 2.700 . 4.700 3.644 3.499 3.716 . 0 0 "[ . 1 . 2]" 1
1210 1 81 PHE QB 1 81 PHE QD 2.700 . 5.700 2.155 2.122 2.276 . 0 0 "[ . 1 . 2]" 1
1211 1 81 PHE QD 1 83 GLU QB 3.300 . 6.300 3.602 3.003 4.748 . 0 0 "[ . 1 . 2]" 1
1212 1 81 PHE QE 1 83 GLU QB 2.700 . 5.700 2.791 2.152 4.108 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 82
_Distance_constraint_stats_list.Viol_count 530
_Distance_constraint_stats_list.Viol_total 1254.167
_Distance_constraint_stats_list.Viol_max 2.004
_Distance_constraint_stats_list.Viol_rms 0.2082
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0382
_Distance_constraint_stats_list.Viol_average_violations_only 0.1183
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 PHE 0.238 0.019 18 0 "[ . 1 . 2]"
1 4 LYS 0.339 0.041 13 0 "[ . 1 . 2]"
1 5 VAL 0.371 0.030 13 0 "[ . 1 . 2]"
1 6 THR 0.214 0.034 6 0 "[ . 1 . 2]"
1 7 VAL 0.142 0.019 20 0 "[ . 1 . 2]"
1 8 CYS 0.186 0.027 17 0 "[ . 1 . 2]"
1 9 PHE 0.122 0.023 1 0 "[ . 1 . 2]"
1 10 GLY 0.659 0.056 16 0 "[ . 1 . 2]"
1 12 THR 0.122 0.023 1 0 "[ . 1 . 2]"
1 14 VAL 0.142 0.019 20 0 "[ . 1 . 2]"
1 16 VAL 0.371 0.030 13 0 "[ . 1 . 2]"
1 18 CYS 0.238 0.019 18 0 "[ . 1 . 2]"
1 24 LYS 1.018 0.076 13 0 "[ . 1 . 2]"
1 25 VAL 0.299 0.050 6 0 "[ . 1 . 2]"
1 26 PHE 0.422 0.044 7 0 "[ . 1 . 2]"
1 27 SER 0.591 0.051 15 0 "[ . 1 . 2]"
1 28 LEU 1.018 0.076 13 0 "[ . 1 . 2]"
1 29 ILE 0.771 0.050 6 0 "[ . 1 . 2]"
1 30 GLN 0.469 0.044 7 0 "[ . 1 . 2]"
1 31 GLN 0.893 0.051 15 0 "[ . 1 . 2]"
1 32 ALA 0.014 0.012 14 0 "[ . 1 . 2]"
1 33 VAL 0.763 0.048 17 0 "[ . 1 . 2]"
1 34 THR 0.459 0.041 4 0 "[ . 1 . 2]"
1 35 ARG 0.322 0.025 10 0 "[ . 1 . 2]"
1 36 TYR 0.102 0.019 2 0 "[ . 1 . 2]"
1 37 ARG 0.292 0.038 10 0 "[ . 1 . 2]"
1 38 LYS 0.412 0.041 4 0 "[ . 1 . 2]"
1 39 ALA 0.020 0.008 11 0 "[ . 1 . 2]"
1 40 VAL 0.088 0.019 2 0 "[ . 1 . 2]"
1 42 LYS 2.562 1.009 12 1 "[ . 1 + . 2]"
1 43 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 TRP 2.112 0.120 4 0 "[ . 1 . 2]"
1 49 GLN 0.479 0.047 12 0 "[ . 1 . 2]"
1 51 HIS 0.519 0.042 16 0 "[ . 1 . 2]"
1 53 LEU 0.692 0.061 3 0 "[ . 1 . 2]"
1 54 GLU 0.192 0.018 20 0 "[ . 1 . 2]"
1 55 HIS 49.505 2.004 13 19 "[*******-****+*** ***]"
1 59 GLY 0.025 0.008 20 0 "[ . 1 . 2]"
1 61 LEU 0.692 0.061 3 0 "[ . 1 . 2]"
1 66 ILE 0.149 0.018 12 0 "[ . 1 . 2]"
1 67 LEU 0.252 0.037 16 0 "[ . 1 . 2]"
1 70 VAL 0.160 0.018 12 0 "[ . 1 . 2]"
1 71 ALA 0.252 0.037 16 0 "[ . 1 . 2]"
1 75 ASP 49.876 2.004 13 19 "[*******-****+*** ***]"
1 77 LEU 0.184 0.034 6 0 "[ . 1 . 2]"
1 78 VAL 0.192 0.018 20 0 "[ . 1 . 2]"
1 79 ALA 0.807 0.056 16 0 "[ . 1 . 2]"
1 80 VAL 0.519 0.042 16 0 "[ . 1 . 2]"
1 82 ASP 0.479 0.047 12 0 "[ . 1 . 2]"
1 83 GLU 2.562 1.009 12 1 "[ . 1 + . 2]"
1 84 GLN 2.112 0.120 4 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 24 LYS O 1 28 LEU N 3.300 2.200 3.300 3.142 3.112 3.169 . 0 0 "[ . 1 . 2]" 2
2 1 24 LYS O 1 28 LEU H 2.200 . 2.200 2.251 2.210 2.276 0.076 13 0 "[ . 1 . 2]" 2
3 1 25 VAL O 1 29 ILE N 3.300 2.200 3.300 2.743 2.692 2.936 . 0 0 "[ . 1 . 2]" 2
4 1 25 VAL O 1 29 ILE H 2.200 . 2.200 1.825 1.750 2.108 0.050 6 0 "[ . 1 . 2]" 2
5 1 26 PHE O 1 30 GLN N 3.300 2.200 3.300 3.169 3.124 3.217 . 0 0 "[ . 1 . 2]" 2
6 1 26 PHE O 1 30 GLN H 2.200 . 2.200 2.220 2.175 2.244 0.044 7 0 "[ . 1 . 2]" 2
7 1 27 SER O 1 31 GLN N 3.300 2.200 3.300 3.124 3.059 3.179 . 0 0 "[ . 1 . 2]" 2
8 1 27 SER O 1 31 GLN H 2.200 . 2.200 2.230 2.216 2.251 0.051 15 0 "[ . 1 . 2]" 2
9 1 28 LEU O 1 32 ALA N 3.300 2.200 3.300 2.922 2.807 3.047 . 0 0 "[ . 1 . 2]" 2
10 1 28 LEU O 1 32 ALA H 2.200 . 2.200 2.007 1.882 2.171 . 0 0 "[ . 1 . 2]" 2
11 1 29 ILE O 1 33 VAL N 3.300 2.200 3.300 2.713 2.649 2.748 . 0 0 "[ . 1 . 2]" 2
12 1 29 ILE O 1 33 VAL H 2.200 . 2.200 1.776 1.752 1.793 0.048 17 0 "[ . 1 . 2]" 2
13 1 30 GLN O 1 34 THR N 3.300 2.200 3.300 3.132 3.009 3.183 . 0 0 "[ . 1 . 2]" 2
14 1 30 GLN O 1 34 THR H 2.200 . 2.200 2.175 2.072 2.213 0.013 8 0 "[ . 1 . 2]" 2
15 1 31 GLN O 1 35 ARG N 3.300 2.200 3.300 3.140 3.109 3.172 . 0 0 "[ . 1 . 2]" 2
16 1 31 GLN O 1 35 ARG H 2.200 . 2.200 2.215 2.205 2.225 0.025 10 0 "[ . 1 . 2]" 2
17 1 32 ALA O 1 36 TYR N 3.300 2.200 3.300 2.744 2.602 2.878 . 0 0 "[ . 1 . 2]" 2
18 1 32 ALA O 1 36 TYR H 2.200 . 2.200 1.915 1.788 2.111 0.012 14 0 "[ . 1 . 2]" 2
19 1 33 VAL O 1 37 ARG N 3.300 2.200 3.300 3.157 3.060 3.213 . 0 0 "[ . 1 . 2]" 2
20 1 33 VAL O 1 37 ARG H 2.200 . 2.200 2.193 2.095 2.238 0.038 10 0 "[ . 1 . 2]" 2
21 1 34 THR O 1 38 LYS N 3.300 2.200 3.300 3.155 3.024 3.202 . 0 0 "[ . 1 . 2]" 2
22 1 34 THR O 1 38 LYS H 2.200 . 2.200 2.214 2.090 2.241 0.041 4 0 "[ . 1 . 2]" 2
23 1 35 ARG O 1 39 ALA N 3.300 2.200 3.300 2.691 2.570 2.870 . 0 0 "[ . 1 . 2]" 2
24 1 35 ARG O 1 39 ALA H 2.200 . 2.200 1.938 1.792 2.204 0.008 11 0 "[ . 1 . 2]" 2
25 1 36 TYR O 1 40 VAL N 3.300 2.200 3.300 2.731 2.617 2.869 . 0 0 "[ . 1 . 2]" 2
26 1 36 TYR O 1 40 VAL H 2.200 . 2.200 1.839 1.781 1.997 0.019 2 0 "[ . 1 . 2]" 2
27 1 66 ILE O 1 70 VAL N 3.300 2.200 3.300 3.048 2.893 3.178 . 0 0 "[ . 1 . 2]" 2
28 1 66 ILE O 1 70 VAL H 2.200 . 2.200 2.200 2.100 2.218 0.018 12 0 "[ . 1 . 2]" 2
29 1 67 LEU O 1 71 ALA N 3.300 2.200 3.300 2.573 2.503 2.677 . 0 0 "[ . 1 . 2]" 2
30 1 67 LEU O 1 71 ALA H 2.200 . 2.200 1.817 1.763 2.105 0.037 16 0 "[ . 1 . 2]" 2
31 1 3 PHE O 1 18 CYS H 2.200 . 2.200 2.121 1.787 2.206 0.013 13 0 "[ . 1 . 2]" 2
32 1 3 PHE O 1 18 CYS N 3.300 2.200 3.300 2.876 2.564 3.098 . 0 0 "[ . 1 . 2]" 2
33 1 3 PHE H 1 18 CYS O 2.200 . 2.200 2.190 1.956 2.219 0.019 18 0 "[ . 1 . 2]" 2
34 1 3 PHE N 1 18 CYS O 3.300 2.200 3.300 2.955 2.764 3.093 . 0 0 "[ . 1 . 2]" 2
35 1 5 VAL O 1 16 VAL H 2.200 . 2.200 1.875 1.784 2.137 0.016 6 0 "[ . 1 . 2]" 2
36 1 5 VAL O 1 16 VAL N 3.300 2.200 3.300 2.707 2.573 2.882 . 0 0 "[ . 1 . 2]" 2
37 1 5 VAL H 1 16 VAL O 2.200 . 2.200 2.217 2.208 2.230 0.030 13 0 "[ . 1 . 2]" 2
38 1 5 VAL N 1 16 VAL O 3.300 2.200 3.300 3.158 3.118 3.182 . 0 0 "[ . 1 . 2]" 2
39 1 7 VAL O 1 14 VAL H 2.200 . 2.200 2.172 1.793 2.211 0.011 13 0 "[ . 1 . 2]" 2
40 1 7 VAL O 1 14 VAL N 3.300 2.200 3.300 3.057 2.741 3.168 . 0 0 "[ . 1 . 2]" 2
41 1 7 VAL H 1 14 VAL O 2.200 . 2.200 1.931 1.781 2.201 0.019 20 0 "[ . 1 . 2]" 2
42 1 7 VAL N 1 14 VAL O 3.300 2.200 3.300 2.842 2.639 3.078 . 0 0 "[ . 1 . 2]" 2
43 1 9 PHE O 1 12 THR H 2.200 . 2.200 2.086 1.799 2.219 0.019 6 0 "[ . 1 . 2]" 2
44 1 9 PHE O 1 12 THR N 3.300 2.200 3.300 2.845 2.597 2.971 . 0 0 "[ . 1 . 2]" 2
45 1 9 PHE H 1 12 THR O 2.200 . 2.200 1.819 1.777 1.934 0.023 1 0 "[ . 1 . 2]" 2
46 1 9 PHE N 1 12 THR O 3.300 2.200 3.300 2.603 2.548 2.731 . 0 0 "[ . 1 . 2]" 2
47 1 47 TRP O 1 84 GLN H 2.200 . 2.200 2.306 2.283 2.320 0.120 4 0 "[ . 1 . 2]" 2
48 1 47 TRP O 1 84 GLN N 3.300 2.200 3.300 3.204 3.173 3.226 . 0 0 "[ . 1 . 2]" 2
49 1 49 GLN O 1 82 ASP H 2.200 . 2.200 1.853 1.765 2.203 0.035 12 0 "[ . 1 . 2]" 2
50 1 49 GLN O 1 82 ASP N 3.300 2.200 3.300 2.696 2.600 2.985 . 0 0 "[ . 1 . 2]" 2
51 1 49 GLN H 1 82 ASP O 2.200 . 2.200 2.194 1.861 2.247 0.047 12 0 "[ . 1 . 2]" 2
52 1 49 GLN N 1 82 ASP O 3.300 2.200 3.300 3.046 2.793 3.088 . 0 0 "[ . 1 . 2]" 2
53 1 51 HIS H 1 80 VAL O 2.200 . 2.200 2.223 2.137 2.242 0.042 16 0 "[ . 1 . 2]" 2
54 1 51 HIS N 1 80 VAL O 3.300 2.200 3.300 2.856 2.734 2.995 . 0 0 "[ . 1 . 2]" 2
55 1 54 GLU O 1 78 VAL H 2.200 . 2.200 1.793 1.782 1.831 0.018 20 0 "[ . 1 . 2]" 2
56 1 54 GLU O 1 78 VAL N 3.300 2.200 3.300 2.702 2.589 2.806 . 0 0 "[ . 1 . 2]" 2
57 1 54 GLU H 1 78 VAL O 2.200 . 2.200 2.078 1.792 2.204 0.008 14 0 "[ . 1 . 2]" 2
58 1 54 GLU N 1 78 VAL O 3.300 2.200 3.300 2.904 2.729 3.082 . 0 0 "[ . 1 . 2]" 2
59 1 53 LEU H 1 61 LEU O 2.200 . 2.200 2.235 2.208 2.261 0.061 3 0 "[ . 1 . 2]" 2
60 1 53 LEU N 1 61 LEU O 3.300 2.200 3.300 3.183 3.115 3.231 . 0 0 "[ . 1 . 2]" 2
61 1 55 HIS H 1 59 GLY O 2.200 . 2.200 2.098 1.802 2.208 0.008 20 0 "[ . 1 . 2]" 2
62 1 55 HIS N 1 59 GLY O 3.300 2.200 3.300 2.931 2.591 3.126 . 0 0 "[ . 1 . 2]" 2
63 1 4 LYS O 1 75 ASP H 2.200 . 2.200 2.217 2.198 2.241 0.041 13 0 "[ . 1 . 2]" 2
64 1 4 LYS O 1 75 ASP N 3.300 2.200 3.300 3.093 3.049 3.143 . 0 0 "[ . 1 . 2]" 2
65 1 6 THR H 1 75 ASP O 2.200 . 2.200 1.867 1.788 2.155 0.012 7 0 "[ . 1 . 2]" 2
66 1 6 THR N 1 75 ASP O 3.300 2.200 3.300 2.796 2.696 3.053 . 0 0 "[ . 1 . 2]" 2
67 1 6 THR O 1 77 LEU H 2.200 . 2.200 1.822 1.766 1.957 0.034 6 0 "[ . 1 . 2]" 2
68 1 6 THR O 1 77 LEU N 3.300 2.200 3.300 2.656 2.566 2.737 . 0 0 "[ . 1 . 2]" 2
69 1 8 CYS H 1 77 LEU O 2.200 . 2.200 1.919 1.777 2.183 0.023 1 0 "[ . 1 . 2]" 2
70 1 8 CYS N 1 77 LEU O 3.300 2.200 3.300 2.864 2.732 3.086 . 0 0 "[ . 1 . 2]" 2
71 1 8 CYS O 1 79 ALA H 2.200 . 2.200 1.799 1.773 1.926 0.027 17 0 "[ . 1 . 2]" 2
72 1 8 CYS O 1 79 ALA N 3.300 2.200 3.300 2.658 2.578 2.752 . 0 0 "[ . 1 . 2]" 2
73 1 10 GLY H 1 79 ALA O 2.200 . 2.200 2.233 2.206 2.256 0.056 16 0 "[ . 1 . 2]" 2
74 1 10 GLY N 1 79 ALA O 3.300 2.200 3.300 3.191 3.158 3.227 . 0 0 "[ . 1 . 2]" 2
75 1 42 LYS QZ 1 83 GLU OE1 2.200 . 2.200 2.149 1.852 3.209 1.009 12 1 "[ . 1 + . 2]" 2
76 1 42 LYS NZ 1 83 GLU OE1 3.300 2.200 3.300 3.019 2.587 4.203 0.903 12 1 "[ . 1 + . 2]" 2
77 1 38 LYS QZ 1 43 ASP OD1 2.200 . 2.200 2.159 2.146 2.174 . 0 0 "[ . 1 . 2]" 2
78 1 38 LYS NZ 1 43 ASP OD1 3.300 2.200 3.300 3.138 3.047 3.239 . 0 0 "[ . 1 . 2]" 2
79 1 55 HIS HD1 1 75 ASP OD1 2.200 . 2.200 3.641 2.148 4.204 2.004 13 19 "[*******-****+*** ***]" 2
80 1 55 HIS ND1 1 75 ASP OD1 3.300 2.200 3.300 4.304 2.787 4.881 1.581 13 18 "[******* -***+*** ***]" 2
81 1 55 HIS HE2 1 70 VAL O 2.200 . 2.200 2.002 1.796 2.205 0.005 7 0 "[ . 1 . 2]" 2
82 1 55 HIS NE2 1 70 VAL O 3.300 2.200 3.300 2.883 2.586 3.148 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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