NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
509119 |
2ysm   |
11237 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ysm
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 54
_Distance_constraint_stats_list.Viol_count 631
_Distance_constraint_stats_list.Viol_total 163.188
_Distance_constraint_stats_list.Viol_max 0.057
_Distance_constraint_stats_list.Viol_rms 0.0110
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0076
_Distance_constraint_stats_list.Viol_average_violations_only 0.0129
_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 10 CYS 0.713 0.031 15 0 "[ . 1 . 2]"
1 13 CYS 0.412 0.023 20 0 "[ . 1 . 2]"
1 25 CYS 0.345 0.020 20 0 "[ . 1 . 2]"
1 28 CYS 0.225 0.014 5 0 "[ . 1 . 2]"
1 33 HIS 0.289 0.023 20 0 "[ . 1 . 2]"
1 36 CYS 0.920 0.040 2 0 "[ . 1 . 2]"
1 51 CYS 2.126 0.056 18 0 "[ . 1 . 2]"
1 54 CYS 1.716 0.056 18 0 "[ . 1 . 2]"
1 57 CYS 0.436 0.033 13 0 "[ . 1 . 2]"
1 60 CYS 0.785 0.047 11 0 "[ . 1 . 2]"
1 72 CYS 0.227 0.025 20 0 "[ . 1 . 2]"
1 75 CYS 0.105 0.010 2 0 "[ . 1 . 2]"
1 80 HIS 0.741 0.038 11 0 "[ . 1 . 2]"
1 83 CYS 0.922 0.057 12 0 "[ . 1 . 2]"
1 98 CYS 0.610 0.029 20 0 "[ . 1 . 2]"
1 101 CYS 0.157 0.017 12 0 "[ . 1 . 2]"
2 1 ZN 1.328 0.040 2 0 "[ . 1 . 2]"
3 1 ZN 2.119 0.054 18 0 "[ . 1 . 2]"
4 1 ZN 1.613 0.057 12 0 "[ . 1 . 2]"
5 1 ZN 0.528 0.029 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 10 CYS SG 2 1 ZN ZN . 2.250 2.350 2.352 2.311 2.372 0.022 18 0 "[ . 1 . 2]" 1
2 1 13 CYS SG 2 1 ZN ZN . 2.250 2.350 2.357 2.342 2.366 0.016 15 0 "[ . 1 . 2]" 1
3 1 33 HIS ND1 2 1 ZN ZN . . 2.050 2.041 2.009 2.067 0.017 20 0 "[ . 1 . 2]" 1
4 1 36 CYS SG 2 1 ZN ZN . 2.250 2.350 2.232 2.210 2.252 0.040 2 0 "[ . 1 . 2]" 1
5 1 10 CYS CB 2 1 ZN ZN . 3.100 3.300 3.086 3.069 3.100 0.031 15 0 "[ . 1 . 2]" 1
6 1 13 CYS CB 2 1 ZN ZN . 3.100 3.300 3.288 3.194 3.316 0.016 20 0 "[ . 1 . 2]" 1
7 1 36 CYS CB 2 1 ZN ZN . 3.100 3.300 3.314 3.298 3.332 0.032 20 0 "[ . 1 . 2]" 1
8 1 10 CYS SG 1 13 CYS SG . 3.650 3.850 3.654 3.628 3.689 0.022 9 0 "[ . 1 . 2]" 1
9 1 10 CYS SG 1 33 HIS ND1 . 3.500 3.700 3.527 3.494 3.644 0.006 7 0 "[ . 1 . 2]" 1
10 1 10 CYS SG 1 36 CYS SG . 3.650 3.850 3.857 3.800 3.878 0.028 2 0 "[ . 1 . 2]" 1
11 1 13 CYS SG 1 33 HIS ND1 . 3.500 3.700 3.498 3.477 3.548 0.023 20 0 "[ . 1 . 2]" 1
12 1 13 CYS SG 1 36 CYS SG . 3.650 3.850 3.691 3.649 3.763 0.001 10 0 "[ . 1 . 2]" 1
13 1 33 HIS ND1 1 36 CYS SG . 3.500 3.700 3.698 3.648 3.715 0.015 15 0 "[ . 1 . 2]" 1
14 1 25 CYS SG 3 1 ZN ZN . 2.250 2.350 2.272 2.240 2.331 0.010 1 0 "[ . 1 . 2]" 1
15 1 28 CYS SG 3 1 ZN ZN . 2.250 2.350 2.297 2.241 2.357 0.009 4 0 "[ . 1 . 2]" 1
16 1 51 CYS SG 3 1 ZN ZN . 2.250 2.350 2.224 2.214 2.236 0.036 16 0 "[ . 1 . 2]" 1
17 1 54 CYS SG 3 1 ZN ZN . 2.250 2.350 2.376 2.359 2.388 0.038 7 0 "[ . 1 . 2]" 1
18 1 25 CYS CB 3 1 ZN ZN . 3.100 3.300 3.162 3.097 3.236 0.003 16 0 "[ . 1 . 2]" 1
19 1 28 CYS CB 3 1 ZN ZN . 3.100 3.300 3.279 3.242 3.307 0.007 20 0 "[ . 1 . 2]" 1
20 1 51 CYS CB 3 1 ZN ZN . 3.100 3.300 3.338 3.320 3.354 0.054 18 0 "[ . 1 . 2]" 1
21 1 54 CYS CB 3 1 ZN ZN . 3.100 3.300 3.091 3.075 3.124 0.025 7 0 "[ . 1 . 2]" 1
22 1 25 CYS SG 1 28 CYS SG . 3.650 3.850 3.655 3.640 3.749 0.010 2 0 "[ . 1 . 2]" 1
23 1 25 CYS SG 1 51 CYS SG . 3.650 3.850 3.746 3.642 3.833 0.008 1 0 "[ . 1 . 2]" 1
24 1 25 CYS SG 1 54 CYS SG . 3.650 3.850 3.862 3.854 3.870 0.020 20 0 "[ . 1 . 2]" 1
25 1 28 CYS SG 1 51 CYS SG . 3.650 3.850 3.852 3.819 3.864 0.014 5 0 "[ . 1 . 2]" 1
26 1 28 CYS SG 1 54 CYS SG . 3.650 3.850 3.700 3.649 3.812 0.001 18 0 "[ . 1 . 2]" 1
27 1 51 CYS SG 1 54 CYS SG . 3.650 3.850 3.613 3.594 3.630 0.056 18 0 "[ . 1 . 2]" 1
28 1 57 CYS SG 4 1 ZN ZN . 2.250 2.350 2.351 2.329 2.365 0.015 13 0 "[ . 1 . 2]" 1
29 1 60 CYS SG 4 1 ZN ZN . 2.250 2.350 2.314 2.247 2.365 0.015 13 0 "[ . 1 . 2]" 1
30 1 80 HIS ND1 4 1 ZN ZN . . 2.050 2.065 2.049 2.088 0.038 11 0 "[ . 1 . 2]" 1
31 1 83 CYS SG 4 1 ZN ZN . 2.250 2.350 2.239 2.199 2.315 0.051 12 0 "[ . 1 . 2]" 1
32 1 57 CYS CB 4 1 ZN ZN . 3.100 3.300 3.112 3.067 3.255 0.033 13 0 "[ . 1 . 2]" 1
33 1 60 CYS CB 4 1 ZN ZN . 3.100 3.300 3.315 3.297 3.347 0.047 11 0 "[ . 1 . 2]" 1
34 1 83 CYS CB 4 1 ZN ZN . 3.100 3.300 3.320 3.256 3.357 0.057 12 0 "[ . 1 . 2]" 1
35 1 57 CYS SG 1 60 CYS SG . 3.650 3.850 3.697 3.638 3.843 0.012 5 0 "[ . 1 . 2]" 1
36 1 57 CYS SG 1 80 HIS ND1 . 3.500 3.700 3.502 3.482 3.622 0.018 13 0 "[ . 1 . 2]" 1
37 1 57 CYS SG 1 83 CYS SG . 3.650 3.850 3.835 3.760 3.876 0.026 5 0 "[ . 1 . 2]" 1
38 1 60 CYS SG 1 80 HIS ND1 . 3.500 3.700 3.486 3.462 3.526 0.038 11 0 "[ . 1 . 2]" 1
39 1 60 CYS SG 1 83 CYS SG . 3.650 3.850 3.821 3.650 3.869 0.019 16 0 "[ . 1 . 2]" 1
40 1 80 HIS ND1 1 83 CYS SG . 3.500 3.700 3.591 3.495 3.713 0.013 12 0 "[ . 1 . 2]" 1
41 1 72 CYS SG 5 1 ZN ZN . 2.250 2.350 2.270 2.238 2.323 0.012 20 0 "[ . 1 . 2]" 1
42 1 75 CYS SG 5 1 ZN ZN . 2.250 2.350 2.311 2.250 2.356 0.006 6 0 "[ . 1 . 2]" 1
43 1 98 CYS SG 5 1 ZN ZN . 2.250 2.350 2.243 2.221 2.266 0.029 20 0 "[ . 1 . 2]" 1
44 1 101 CYS SG 5 1 ZN ZN . 2.250 2.350 2.347 2.296 2.359 0.009 1 0 "[ . 1 . 2]" 1
45 1 72 CYS CB 5 1 ZN ZN . 3.100 3.300 3.182 3.096 3.299 0.004 1 0 "[ . 1 . 2]" 1
46 1 75 CYS CB 5 1 ZN ZN . 3.100 3.300 3.286 3.210 3.309 0.009 16 0 "[ . 1 . 2]" 1
47 1 98 CYS CB 5 1 ZN ZN . 3.100 3.300 3.308 3.266 3.328 0.028 12 0 "[ . 1 . 2]" 1
48 1 101 CYS CB 5 1 ZN ZN . 3.100 3.300 3.215 3.091 3.303 0.009 1 0 "[ . 1 . 2]" 1
49 1 72 CYS SG 1 75 CYS SG . 3.650 3.850 3.707 3.643 3.854 0.007 20 0 "[ . 1 . 2]" 1
50 1 72 CYS SG 1 98 CYS SG . 3.650 3.850 3.853 3.769 3.875 0.025 20 0 "[ . 1 . 2]" 1
51 1 72 CYS SG 1 101 CYS SG . 3.650 3.850 3.779 3.657 3.855 0.005 7 0 "[ . 1 . 2]" 1
52 1 75 CYS SG 1 98 CYS SG . 3.650 3.850 3.685 3.640 3.829 0.010 2 0 "[ . 1 . 2]" 1
53 1 75 CYS SG 1 101 CYS SG . 3.650 3.850 3.760 3.647 3.853 0.003 7 0 "[ . 1 . 2]" 1
54 1 98 CYS SG 1 101 CYS SG . 3.650 3.850 3.647 3.633 3.656 0.017 12 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 1726
_Distance_constraint_stats_list.Viol_count 909
_Distance_constraint_stats_list.Viol_total 483.574
_Distance_constraint_stats_list.Viol_max 0.217
_Distance_constraint_stats_list.Viol_rms 0.0063
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0007
_Distance_constraint_stats_list.Viol_average_violations_only 0.0266
_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 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 ALA 0.758 0.142 6 0 "[ . 1 . 2]"
1 9 ASN 1.373 0.142 6 0 "[ . 1 . 2]"
1 10 CYS 0.178 0.044 18 0 "[ . 1 . 2]"
1 11 ALA 0.050 0.028 15 0 "[ . 1 . 2]"
1 12 VAL 1.056 0.083 6 0 "[ . 1 . 2]"
1 13 CYS 0.067 0.034 18 0 "[ . 1 . 2]"
1 14 ASP 0.531 0.054 14 0 "[ . 1 . 2]"
1 15 SER 0.260 0.051 15 0 "[ . 1 . 2]"
1 16 PRO 0.463 0.051 9 0 "[ . 1 . 2]"
1 17 GLY 0.208 0.051 9 0 "[ . 1 . 2]"
1 18 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 LEU 0.200 0.061 15 0 "[ . 1 . 2]"
1 20 LEU 0.693 0.192 19 0 "[ . 1 . 2]"
1 21 ASP 0.036 0.036 15 0 "[ . 1 . 2]"
1 22 GLN 0.640 0.176 15 0 "[ . 1 . 2]"
1 23 PHE 0.868 0.124 9 0 "[ . 1 . 2]"
1 24 PHE 0.092 0.024 16 0 "[ . 1 . 2]"
1 25 CYS 0.047 0.019 3 0 "[ . 1 . 2]"
1 26 THR 0.331 0.049 17 0 "[ . 1 . 2]"
1 27 THR 0.043 0.013 7 0 "[ . 1 . 2]"
1 28 CYS 0.070 0.022 14 0 "[ . 1 . 2]"
1 29 GLY 0.070 0.022 14 0 "[ . 1 . 2]"
1 30 GLN 0.140 0.048 15 0 "[ . 1 . 2]"
1 31 HIS 0.200 0.048 15 0 "[ . 1 . 2]"
1 32 TYR 0.766 0.083 6 0 "[ . 1 . 2]"
1 33 HIS 0.536 0.176 15 0 "[ . 1 . 2]"
1 34 GLY 0.239 0.064 9 0 "[ . 1 . 2]"
1 35 MET 0.310 0.217 13 0 "[ . 1 . 2]"
1 36 CYS 0.273 0.060 18 0 "[ . 1 . 2]"
1 37 LEU 0.216 0.039 7 0 "[ . 1 . 2]"
1 38 ASP 0.368 0.065 19 0 "[ . 1 . 2]"
1 39 ILE 0.108 0.027 9 0 "[ . 1 . 2]"
1 40 ALA 0.047 0.025 14 0 "[ . 1 . 2]"
1 41 VAL 0.727 0.124 9 0 "[ . 1 . 2]"
1 42 THR 0.699 0.138 12 0 "[ . 1 . 2]"
1 43 PRO 0.751 0.138 12 0 "[ . 1 . 2]"
1 44 LEU 0.378 0.065 7 0 "[ . 1 . 2]"
1 45 LYS 0.691 0.118 9 0 "[ . 1 . 2]"
1 46 ARG 0.271 0.073 5 0 "[ . 1 . 2]"
1 47 ALA 0.029 0.017 16 0 "[ . 1 . 2]"
1 48 GLY 0.012 0.012 9 0 "[ . 1 . 2]"
1 49 TRP 0.504 0.056 17 0 "[ . 1 . 2]"
1 50 GLN 0.760 0.118 17 0 "[ . 1 . 2]"
1 51 CYS 0.299 0.047 4 0 "[ . 1 . 2]"
1 52 PRO 0.311 0.047 4 0 "[ . 1 . 2]"
1 53 GLU 0.044 0.020 4 0 "[ . 1 . 2]"
1 54 CYS 0.367 0.118 17 0 "[ . 1 . 2]"
1 55 LYS 0.625 0.070 1 0 "[ . 1 . 2]"
1 56 VAL 1.094 0.070 13 0 "[ . 1 . 2]"
1 57 CYS 0.635 0.077 7 0 "[ . 1 . 2]"
1 58 GLN 0.159 0.031 3 0 "[ . 1 . 2]"
1 59 ASN 0.426 0.044 1 0 "[ . 1 . 2]"
1 60 CYS 0.616 0.092 16 0 "[ . 1 . 2]"
1 61 LYS 0.403 0.047 12 0 "[ . 1 . 2]"
1 62 GLN 1.130 0.095 7 0 "[ . 1 . 2]"
1 63 SER 1.071 0.095 7 0 "[ . 1 . 2]"
1 64 GLY 0.126 0.080 15 0 "[ . 1 . 2]"
1 65 GLU 0.254 0.113 19 0 "[ . 1 . 2]"
1 66 ASP 0.109 0.071 15 0 "[ . 1 . 2]"
1 67 SER 0.015 0.015 16 0 "[ . 1 . 2]"
1 68 LYS 0.119 0.019 5 0 "[ . 1 . 2]"
1 69 MET 1.172 0.156 13 0 "[ . 1 . 2]"
1 70 LEU 0.599 0.116 5 0 "[ . 1 . 2]"
1 71 VAL 0.508 0.096 4 0 "[ . 1 . 2]"
1 72 CYS 0.207 0.047 2 0 "[ . 1 . 2]"
1 73 ASP 0.065 0.023 15 0 "[ . 1 . 2]"
1 74 THR 0.270 0.031 20 0 "[ . 1 . 2]"
1 75 CYS 0.376 0.065 7 0 "[ . 1 . 2]"
1 76 ASP 0.096 0.025 13 0 "[ . 1 . 2]"
1 77 LYS 0.628 0.110 14 0 "[ . 1 . 2]"
1 78 GLY 0.021 0.009 19 0 "[ . 1 . 2]"
1 79 TYR 0.657 0.048 6 0 "[ . 1 . 2]"
1 80 HIS 0.753 0.077 7 0 "[ . 1 . 2]"
1 81 THR 0.871 0.083 5 0 "[ . 1 . 2]"
1 82 PHE 0.860 0.124 17 0 "[ . 1 . 2]"
1 83 CYS 0.255 0.079 12 0 "[ . 1 . 2]"
1 84 LEU 1.515 0.145 16 0 "[ . 1 . 2]"
1 85 GLN 0.133 0.043 10 0 "[ . 1 . 2]"
1 86 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 VAL 3.448 0.174 5 0 "[ . 1 . 2]"
1 88 MET 0.892 0.116 5 0 "[ . 1 . 2]"
1 89 LYS 0.098 0.032 15 0 "[ . 1 . 2]"
1 90 SER 0.216 0.049 10 0 "[ . 1 . 2]"
1 91 VAL 0.462 0.049 10 0 "[ . 1 . 2]"
1 92 PRO 0.170 0.108 3 0 "[ . 1 . 2]"
1 93 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 ASN 0.290 0.060 3 0 "[ . 1 . 2]"
1 95 GLY 0.455 0.108 3 0 "[ . 1 . 2]"
1 96 TRP 0.276 0.040 3 0 "[ . 1 . 2]"
1 97 LYS 0.458 0.068 4 0 "[ . 1 . 2]"
1 98 CYS 0.363 0.084 6 0 "[ . 1 . 2]"
1 99 LYS 0.296 0.084 6 0 "[ . 1 . 2]"
1 100 ASN 0.161 0.049 1 0 "[ . 1 . 2]"
1 101 CYS 0.164 0.068 4 0 "[ . 1 . 2]"
1 102 ARG 1.161 0.091 13 0 "[ . 1 . 2]"
1 103 ILE 0.602 0.091 13 0 "[ . 1 . 2]"
1 104 CYS 0.191 0.094 14 0 "[ . 1 . 2]"
1 105 ILE 0.282 0.094 14 0 "[ . 1 . 2]"
1 106 SER 0.055 0.027 5 0 "[ . 1 . 2]"
1 107 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 PRO 0.000 0.000 . 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 19 LEU H 1 19 LEU HB3 . . 3.910 3.540 3.484 3.637 . 0 0 "[ . 1 . 2]" 2
2 1 7 GLY QA 1 8 ALA H . . 3.000 2.214 2.109 2.471 . 0 0 "[ . 1 . 2]" 2
3 1 8 ALA H 1 8 ALA MB . . 2.950 2.406 2.086 2.939 . 0 0 "[ . 1 . 2]" 2
4 1 73 ASP H 1 96 TRP H . . 5.470 4.846 3.905 5.440 . 0 0 "[ . 1 . 2]" 2
5 1 95 GLY H 1 96 TRP H . . 4.120 3.279 2.332 4.146 0.026 10 0 "[ . 1 . 2]" 2
6 1 95 GLY HA2 1 96 TRP H . . 3.560 2.371 2.142 2.772 . 0 0 "[ . 1 . 2]" 2
7 1 96 TRP H 1 96 TRP QB . . 3.140 2.373 2.241 2.451 . 0 0 "[ . 1 . 2]" 2
8 1 73 ASP QB 1 96 TRP H . . 4.120 3.961 3.391 4.143 0.023 15 0 "[ . 1 . 2]" 2
9 1 10 CYS H 1 10 CYS HB2 . . 3.540 2.353 2.171 2.489 . 0 0 "[ . 1 . 2]" 2
10 1 9 ASN HB2 1 10 CYS H . . 4.280 3.447 2.395 4.156 . 0 0 "[ . 1 . 2]" 2
11 1 10 CYS H 1 10 CYS HB3 . . 3.540 2.728 2.593 2.974 . 0 0 "[ . 1 . 2]" 2
12 1 104 CYS HA 1 105 ILE H . . 3.420 2.491 2.139 3.514 0.094 14 0 "[ . 1 . 2]" 2
13 1 104 CYS QB 1 105 ILE H . . 4.160 3.315 2.070 4.028 . 0 0 "[ . 1 . 2]" 2
14 1 105 ILE H 1 105 ILE HB . . 3.700 2.839 2.465 3.664 . 0 0 "[ . 1 . 2]" 2
15 1 105 ILE H 1 105 ILE HG12 . . 4.800 4.019 2.293 4.767 . 0 0 "[ . 1 . 2]" 2
16 1 105 ILE H 1 105 ILE MG . . 4.440 2.650 1.978 3.984 . 0 0 "[ . 1 . 2]" 2
17 1 100 ASN H 1 101 CYS H . . 3.270 2.846 2.552 3.001 . 0 0 "[ . 1 . 2]" 2
18 1 101 CYS H 1 101 CYS HB3 . . 3.760 3.544 3.486 3.590 . 0 0 "[ . 1 . 2]" 2
19 1 26 THR H 1 49 TRP HE3 . . 5.020 4.950 4.494 5.069 0.049 17 0 "[ . 1 . 2]" 2
20 1 25 CYS HA 1 26 THR H . . 3.210 2.311 2.249 2.341 . 0 0 "[ . 1 . 2]" 2
21 1 26 THR H 1 26 THR HB . . 3.750 3.690 3.653 3.720 . 0 0 "[ . 1 . 2]" 2
22 1 103 ILE HA 1 104 CYS H . . 3.460 2.172 2.140 2.262 . 0 0 "[ . 1 . 2]" 2
23 1 101 CYS H 1 101 CYS HB2 . . 3.760 2.274 2.181 2.335 . 0 0 "[ . 1 . 2]" 2
24 1 79 TYR HA 1 80 HIS H . . 3.150 2.145 2.138 2.171 . 0 0 "[ . 1 . 2]" 2
25 1 80 HIS H 1 80 HIS HB2 . . 4.020 2.509 2.332 2.632 . 0 0 "[ . 1 . 2]" 2
26 1 79 TYR HB2 1 80 HIS H . . 4.470 4.232 4.031 4.470 . 0 0 "[ . 1 . 2]" 2
27 1 57 CYS HB2 1 80 HIS H . . 4.010 3.458 3.161 3.755 . 0 0 "[ . 1 . 2]" 2
28 1 80 HIS H 1 80 HIS HB3 . . 4.020 3.592 3.567 3.606 . 0 0 "[ . 1 . 2]" 2
29 1 90 SER HB2 1 91 VAL H . . 3.670 2.950 2.098 3.557 . 0 0 "[ . 1 . 2]" 2
30 1 90 SER HB3 1 91 VAL H . . 3.670 2.729 2.050 3.643 . 0 0 "[ . 1 . 2]" 2
31 1 90 SER HA 1 91 VAL H . . 2.790 2.528 2.476 2.583 . 0 0 "[ . 1 . 2]" 2
32 1 91 VAL H 1 91 VAL HB . . 3.030 2.546 2.441 2.650 . 0 0 "[ . 1 . 2]" 2
33 1 91 VAL H 1 91 VAL MG2 . . 3.070 2.638 2.260 2.863 . 0 0 "[ . 1 . 2]" 2
34 1 103 ILE H 1 104 CYS H . . 4.690 4.540 4.408 4.638 . 0 0 "[ . 1 . 2]" 2
35 1 18 ASP H 1 18 ASP HB3 . . 3.860 3.436 2.810 3.646 . 0 0 "[ . 1 . 2]" 2
36 1 46 ARG H 1 47 ALA H . . 3.810 3.049 2.922 3.185 . 0 0 "[ . 1 . 2]" 2
37 1 46 ARG HB2 1 47 ALA H . . 4.210 2.574 2.261 2.767 . 0 0 "[ . 1 . 2]" 2
38 1 47 ALA H 1 47 ALA MB . . 3.000 2.153 2.030 2.256 . 0 0 "[ . 1 . 2]" 2
39 1 13 CYS H 1 14 ASP H . . 3.050 2.050 1.804 2.318 . 0 0 "[ . 1 . 2]" 2
40 1 14 ASP H 1 14 ASP HA . . 2.920 2.286 2.274 2.322 . 0 0 "[ . 1 . 2]" 2
41 1 12 VAL HB 1 14 ASP H . . 5.320 4.545 4.293 5.277 . 0 0 "[ . 1 . 2]" 2
42 1 72 CYS HB2 1 76 ASP H . . 4.660 3.613 3.461 3.751 . 0 0 "[ . 1 . 2]" 2
43 1 83 CYS H 1 84 LEU H . . 2.980 2.437 1.787 2.870 . 0 0 "[ . 1 . 2]" 2
44 1 84 LEU H 1 84 LEU HB2 . . 3.240 2.431 2.308 2.567 . 0 0 "[ . 1 . 2]" 2
45 1 84 LEU H 1 84 LEU HG . . 3.650 2.864 2.399 3.230 . 0 0 "[ . 1 . 2]" 2
46 1 84 LEU H 1 84 LEU HB3 . . 3.800 3.636 3.556 3.736 . 0 0 "[ . 1 . 2]" 2
47 1 68 LYS H 1 68 LYS HG3 . . 4.160 2.428 1.979 3.450 . 0 0 "[ . 1 . 2]" 2
48 1 68 LYS H 1 68 LYS HG2 . . 4.160 3.314 2.014 3.858 . 0 0 "[ . 1 . 2]" 2
49 1 68 LYS H 1 69 MET H . . 3.620 2.831 2.548 3.262 . 0 0 "[ . 1 . 2]" 2
50 1 68 LYS H 1 68 LYS HB2 . . 4.130 2.486 2.314 2.676 . 0 0 "[ . 1 . 2]" 2
51 1 83 CYS H 1 83 CYS HB2 . . 3.590 2.374 2.238 2.543 . 0 0 "[ . 1 . 2]" 2
52 1 80 HIS HB3 1 83 CYS H . . 4.260 3.375 2.878 4.022 . 0 0 "[ . 1 . 2]" 2
53 1 27 THR H 1 28 CYS H . . 3.090 2.819 2.705 2.917 . 0 0 "[ . 1 . 2]" 2
54 1 27 THR H 1 29 GLY H . . 3.900 3.799 3.569 3.895 . 0 0 "[ . 1 . 2]" 2
55 1 27 THR H 1 27 THR HB . . 3.250 2.513 2.442 2.605 . 0 0 "[ . 1 . 2]" 2
56 1 27 THR H 1 27 THR MG . . 3.780 3.771 3.756 3.784 0.004 15 0 "[ . 1 . 2]" 2
57 1 49 TRP H 1 49 TRP HB2 . . 3.370 2.696 2.506 2.851 . 0 0 "[ . 1 . 2]" 2
58 1 49 TRP H 1 49 TRP HB3 . . 3.350 2.473 2.337 2.644 . 0 0 "[ . 1 . 2]" 2
59 1 26 THR MG 1 49 TRP H . . 4.140 4.022 3.461 4.172 0.032 11 0 "[ . 1 . 2]" 2
60 1 32 TYR HB3 1 33 HIS H . . 4.340 3.283 2.822 3.444 . 0 0 "[ . 1 . 2]" 2
61 1 70 LEU HA 1 71 VAL H . . 2.800 2.179 2.139 2.283 . 0 0 "[ . 1 . 2]" 2
62 1 71 VAL H 1 71 VAL HB . . 3.330 2.550 2.439 2.767 . 0 0 "[ . 1 . 2]" 2
63 1 71 VAL H 1 71 VAL MG1 . . 4.050 3.805 3.757 3.905 . 0 0 "[ . 1 . 2]" 2
64 1 71 VAL H 1 71 VAL MG2 . . 4.050 2.551 2.263 2.902 . 0 0 "[ . 1 . 2]" 2
65 1 24 PHE H 1 24 PHE HB2 . . 3.880 3.375 3.164 3.561 . 0 0 "[ . 1 . 2]" 2
66 1 24 PHE H 1 24 PHE HB3 . . 3.880 2.583 2.441 2.680 . 0 0 "[ . 1 . 2]" 2
67 1 23 PHE HB3 1 24 PHE H . . 4.410 2.502 2.219 3.056 . 0 0 "[ . 1 . 2]" 2
68 1 53 GLU H 1 54 CYS H . . 2.960 2.212 2.136 2.334 . 0 0 "[ . 1 . 2]" 2
69 1 54 CYS H 1 55 LYS H . . 2.900 1.988 1.787 2.206 . 0 0 "[ . 1 . 2]" 2
70 1 54 CYS H 1 54 CYS HB3 . . 3.790 3.714 3.677 3.754 . 0 0 "[ . 1 . 2]" 2
71 1 54 CYS H 1 54 CYS HB2 . . 3.250 2.533 2.470 2.597 . 0 0 "[ . 1 . 2]" 2
72 1 51 CYS HB3 1 54 CYS H . . 4.810 4.550 4.462 4.716 . 0 0 "[ . 1 . 2]" 2
73 1 53 GLU QB 1 54 CYS H . . 3.520 3.085 2.932 3.259 . 0 0 "[ . 1 . 2]" 2
74 1 54 CYS H 1 55 LYS HB3 . . 4.000 3.904 3.764 3.981 . 0 0 "[ . 1 . 2]" 2
75 1 27 THR HB 1 28 CYS H . . 3.350 2.085 2.004 2.139 . 0 0 "[ . 1 . 2]" 2
76 1 27 THR MG 1 28 CYS H . . 3.720 2.949 2.687 3.113 . 0 0 "[ . 1 . 2]" 2
77 1 28 CYS H 1 28 CYS HB3 . . 3.920 2.630 2.586 2.672 . 0 0 "[ . 1 . 2]" 2
78 1 11 ALA H 1 12 VAL H . . 3.600 2.556 2.201 2.715 . 0 0 "[ . 1 . 2]" 2
79 1 12 VAL H 1 14 ASP H . . 3.850 2.940 2.769 3.249 . 0 0 "[ . 1 . 2]" 2
80 1 12 VAL H 1 13 CYS H . . 3.060 2.101 1.905 2.431 . 0 0 "[ . 1 . 2]" 2
81 1 12 VAL H 1 12 VAL MG2 . . 3.830 2.631 1.860 3.005 . 0 0 "[ . 1 . 2]" 2
82 1 11 ALA MB 1 12 VAL H . . 3.650 3.372 3.101 3.411 . 0 0 "[ . 1 . 2]" 2
83 1 75 CYS H 1 76 ASP H . . 3.310 2.266 1.938 2.554 . 0 0 "[ . 1 . 2]" 2
84 1 75 CYS H 1 76 ASP HA . . 4.940 4.506 4.158 4.810 . 0 0 "[ . 1 . 2]" 2
85 1 74 THR HB 1 75 CYS H . . 3.600 2.193 1.972 2.534 . 0 0 "[ . 1 . 2]" 2
86 1 30 GLN HA 1 31 HIS H . . 3.090 2.489 2.338 2.588 . 0 0 "[ . 1 . 2]" 2
87 1 31 HIS H 1 31 HIS HB2 . . 3.860 2.726 2.520 2.925 . 0 0 "[ . 1 . 2]" 2
88 1 31 HIS H 1 31 HIS HB3 . . 3.860 3.798 3.708 3.870 0.010 3 0 "[ . 1 . 2]" 2
89 1 30 GLN HB2 1 31 HIS H . . 3.840 3.641 3.370 3.888 0.048 15 0 "[ . 1 . 2]" 2
90 1 30 GLN HB3 1 31 HIS H . . 3.840 2.261 2.041 2.600 . 0 0 "[ . 1 . 2]" 2
91 1 25 CYS HB2 1 30 GLN H . . 4.250 3.093 2.942 3.211 . 0 0 "[ . 1 . 2]" 2
92 1 30 GLN H 1 30 GLN HB2 . . 3.900 2.334 2.244 2.430 . 0 0 "[ . 1 . 2]" 2
93 1 25 CYS H 1 30 GLN H . . 4.390 3.180 2.857 3.597 . 0 0 "[ . 1 . 2]" 2
94 1 25 CYS HB3 1 30 GLN H . . 3.750 1.951 1.878 2.165 . 0 0 "[ . 1 . 2]" 2
95 1 30 GLN H 1 30 GLN HB3 . . 3.900 3.581 3.506 3.649 . 0 0 "[ . 1 . 2]" 2
96 1 76 ASP H 1 77 LYS H . . 3.530 2.750 2.561 3.043 . 0 0 "[ . 1 . 2]" 2
97 1 72 CYS HB2 1 77 LYS H . . 3.900 3.004 2.320 3.863 . 0 0 "[ . 1 . 2]" 2
98 1 72 CYS HB3 1 77 LYS H . . 3.900 2.295 1.860 2.848 . 0 0 "[ . 1 . 2]" 2
99 1 77 LYS H 1 77 LYS HB2 . . 3.630 2.318 2.184 2.472 . 0 0 "[ . 1 . 2]" 2
100 1 77 LYS H 1 77 LYS HG2 . . 4.180 3.461 2.747 4.195 0.015 5 0 "[ . 1 . 2]" 2
101 1 77 LYS H 1 77 LYS HB3 . . 3.630 3.569 3.467 3.676 0.046 1 0 "[ . 1 . 2]" 2
102 1 58 GLN H 1 59 ASN H . . 3.530 2.250 1.994 2.653 . 0 0 "[ . 1 . 2]" 2
103 1 59 ASN H 1 60 CYS H . . 3.070 2.485 2.050 2.787 . 0 0 "[ . 1 . 2]" 2
104 1 59 ASN H 1 61 LYS H . . 3.890 3.333 2.932 3.533 . 0 0 "[ . 1 . 2]" 2
105 1 59 ASN H 1 79 TYR QD . . 4.160 3.442 2.885 3.897 . 0 0 "[ . 1 . 2]" 2
106 1 57 CYS HA 1 59 ASN H . . 4.320 3.692 3.343 3.933 . 0 0 "[ . 1 . 2]" 2
107 1 57 CYS HB3 1 59 ASN H . . 4.200 3.834 3.391 4.129 . 0 0 "[ . 1 . 2]" 2
108 1 59 ASN H 1 59 ASN HB3 . . 3.780 3.529 2.800 3.707 . 0 0 "[ . 1 . 2]" 2
109 1 58 GLN HB2 1 59 ASN H . . 4.280 3.281 3.075 3.811 . 0 0 "[ . 1 . 2]" 2
110 1 74 THR H 1 75 CYS H . . 3.260 2.556 1.969 2.945 . 0 0 "[ . 1 . 2]" 2
111 1 74 THR H 1 76 ASP H . . 4.070 3.232 2.707 4.022 . 0 0 "[ . 1 . 2]" 2
112 1 72 CYS HA 1 74 THR H . . 4.320 4.027 3.627 4.324 0.004 18 0 "[ . 1 . 2]" 2
113 1 74 THR H 1 74 THR HB . . 3.220 2.544 2.375 2.797 . 0 0 "[ . 1 . 2]" 2
114 1 74 THR H 1 74 THR MG . . 4.020 3.805 3.733 3.923 . 0 0 "[ . 1 . 2]" 2
115 1 101 CYS H 1 103 ILE H . . 3.980 3.835 3.564 4.012 0.032 9 0 "[ . 1 . 2]" 2
116 1 102 ARG H 1 103 ILE H . . 3.460 2.816 2.656 2.972 . 0 0 "[ . 1 . 2]" 2
117 1 103 ILE H 1 103 ILE HB . . 3.120 2.618 2.364 2.752 . 0 0 "[ . 1 . 2]" 2
118 1 102 ARG QB 1 103 ILE H . . 3.730 3.291 2.510 3.674 . 0 0 "[ . 1 . 2]" 2
119 1 103 ILE H 1 103 ILE MG . . 3.830 3.774 3.720 3.797 . 0 0 "[ . 1 . 2]" 2
120 1 60 CYS H 1 61 LYS H . . 3.110 2.091 1.816 2.447 . 0 0 "[ . 1 . 2]" 2
121 1 60 CYS H 1 61 LYS HA . . 4.440 4.290 3.997 4.465 0.025 3 0 "[ . 1 . 2]" 2
122 1 60 CYS H 1 60 CYS HB2 . . 3.950 3.731 3.673 3.850 . 0 0 "[ . 1 . 2]" 2
123 1 57 CYS HB3 1 60 CYS H . . 3.640 3.097 2.721 3.326 . 0 0 "[ . 1 . 2]" 2
124 1 60 CYS H 1 60 CYS HB3 . . 3.950 2.843 2.685 3.114 . 0 0 "[ . 1 . 2]" 2
125 1 59 ASN HB3 1 60 CYS H . . 3.790 3.421 2.230 3.827 0.037 2 0 "[ . 1 . 2]" 2
126 1 54 CYS HB2 1 55 LYS H . . 4.010 2.790 2.401 3.192 . 0 0 "[ . 1 . 2]" 2
127 1 54 CYS HB3 1 55 LYS H . . 4.320 3.691 3.253 4.016 . 0 0 "[ . 1 . 2]" 2
128 1 55 LYS H 1 55 LYS HB3 . . 3.100 2.278 2.146 2.348 . 0 0 "[ . 1 . 2]" 2
129 1 55 LYS H 1 55 LYS HG2 . . 4.610 3.566 2.576 4.320 . 0 0 "[ . 1 . 2]" 2
130 1 38 ASP H 1 38 ASP HA . . 2.880 2.278 2.274 2.285 . 0 0 "[ . 1 . 2]" 2
131 1 101 CYS H 1 102 ARG H . . 3.100 2.327 2.178 2.564 . 0 0 "[ . 1 . 2]" 2
132 1 99 LYS HA 1 102 ARG H . . 4.060 3.100 2.842 3.576 . 0 0 "[ . 1 . 2]" 2
133 1 101 CYS HB3 1 102 ARG H . . 4.250 3.314 2.957 3.578 . 0 0 "[ . 1 . 2]" 2
134 1 102 ARG H 1 102 ARG QB . . 3.120 2.306 2.142 2.696 . 0 0 "[ . 1 . 2]" 2
135 1 102 ARG H 1 102 ARG HG2 . . 4.000 2.908 2.650 3.352 . 0 0 "[ . 1 . 2]" 2
136 1 102 ARG H 1 102 ARG HG3 . . 4.000 3.307 2.002 4.061 0.061 18 0 "[ . 1 . 2]" 2
137 1 20 LEU H 1 21 ASP H . . 3.720 2.626 2.252 2.772 . 0 0 "[ . 1 . 2]" 2
138 1 65 GLU H 1 66 ASP H . . 4.540 3.982 3.022 4.463 . 0 0 "[ . 1 . 2]" 2
139 1 66 ASP H 1 67 SER H . . 3.990 2.654 2.262 3.093 . 0 0 "[ . 1 . 2]" 2
140 1 65 GLU HA 1 66 ASP H . . 3.190 2.321 2.138 2.712 . 0 0 "[ . 1 . 2]" 2
141 1 66 ASP H 1 66 ASP HB3 . . 3.820 3.006 2.234 3.664 . 0 0 "[ . 1 . 2]" 2
142 1 65 GLU QG 1 66 ASP H . . 4.810 4.568 3.996 4.825 0.015 3 0 "[ . 1 . 2]" 2
143 1 19 LEU H 1 20 LEU H . . 3.570 2.353 2.176 2.571 . 0 0 "[ . 1 . 2]" 2
144 1 18 ASP HA 1 20 LEU H . . 4.370 3.943 3.406 4.329 . 0 0 "[ . 1 . 2]" 2
145 1 20 LEU H 1 20 LEU HB2 . . 3.760 2.323 2.169 3.011 . 0 0 "[ . 1 . 2]" 2
146 1 20 LEU H 1 20 LEU HB3 . . 3.760 3.469 2.119 3.588 . 0 0 "[ . 1 . 2]" 2
147 1 37 LEU H 1 38 ASP H . . 2.940 2.148 1.861 2.383 . 0 0 "[ . 1 . 2]" 2
148 1 36 CYS H 1 37 LEU H . . 3.010 2.734 2.512 2.958 . 0 0 "[ . 1 . 2]" 2
149 1 34 GLY HA2 1 37 LEU H . . 4.100 3.966 3.658 4.108 0.008 15 0 "[ . 1 . 2]" 2
150 1 36 CYS HB2 1 37 LEU H . . 3.790 2.937 2.763 3.168 . 0 0 "[ . 1 . 2]" 2
151 1 36 CYS HB3 1 37 LEU H . . 4.030 3.565 3.281 4.058 0.028 2 0 "[ . 1 . 2]" 2
152 1 37 LEU H 1 37 LEU HB3 . . 3.750 3.542 3.471 3.673 . 0 0 "[ . 1 . 2]" 2
153 1 37 LEU H 1 37 LEU HG . . 4.140 3.528 3.185 4.179 0.039 7 0 "[ . 1 . 2]" 2
154 1 37 LEU H 1 39 ILE MD . . 5.110 4.540 4.191 4.883 . 0 0 "[ . 1 . 2]" 2
155 1 79 TYR H 1 79 TYR QD . . 4.000 3.340 2.677 3.938 . 0 0 "[ . 1 . 2]" 2
156 1 78 GLY HA2 1 79 TYR H . . 3.310 2.149 2.138 2.176 . 0 0 "[ . 1 . 2]" 2
157 1 79 TYR H 1 79 TYR HB3 . . 4.110 3.910 3.797 3.945 . 0 0 "[ . 1 . 2]" 2
158 1 65 GLU H 1 65 GLU QG . . 3.650 2.730 1.891 3.610 . 0 0 "[ . 1 . 2]" 2
159 1 60 CYS H 1 62 GLN H . . 4.170 4.015 3.561 4.262 0.092 16 0 "[ . 1 . 2]" 2
160 1 57 CYS H 1 62 GLN H . . 4.070 3.330 2.978 3.675 . 0 0 "[ . 1 . 2]" 2
161 1 62 GLN H 1 80 HIS HE1 . . 4.280 3.422 2.744 4.287 0.007 17 0 "[ . 1 . 2]" 2
162 1 56 VAL MG1 1 62 GLN H . . 5.330 5.019 4.705 5.365 0.035 16 0 "[ . 1 . 2]" 2
163 1 61 LYS H 1 62 GLN H . . 3.410 2.792 2.630 3.021 . 0 0 "[ . 1 . 2]" 2
164 1 57 CYS HB3 1 62 GLN H . . 3.780 2.277 2.072 2.475 . 0 0 "[ . 1 . 2]" 2
165 1 62 GLN H 1 62 GLN QG . . 3.430 3.185 2.791 3.413 . 0 0 "[ . 1 . 2]" 2
166 1 62 GLN H 1 62 GLN QB . . 3.500 2.710 2.568 2.890 . 0 0 "[ . 1 . 2]" 2
167 1 56 VAL HB 1 62 GLN H . . 4.220 3.760 3.413 4.135 . 0 0 "[ . 1 . 2]" 2
168 1 99 LYS H 1 100 ASN H . . 3.210 2.921 2.507 3.209 . 0 0 "[ . 1 . 2]" 2
169 1 98 CYS HB2 1 100 ASN H . . 4.080 3.673 2.984 4.021 . 0 0 "[ . 1 . 2]" 2
170 1 100 ASN H 1 100 ASN HB2 . . 3.620 2.525 2.190 2.962 . 0 0 "[ . 1 . 2]" 2
171 1 99 LYS HB3 1 100 ASN H . . 4.260 2.323 2.104 2.845 . 0 0 "[ . 1 . 2]" 2
172 1 99 LYS HB2 1 100 ASN H . . 4.260 3.753 3.534 4.099 . 0 0 "[ . 1 . 2]" 2
173 1 99 LYS QG 1 100 ASN H . . 3.870 3.351 2.596 3.919 0.049 1 0 "[ . 1 . 2]" 2
174 1 86 PRO HB2 1 87 VAL H . . 3.700 2.385 2.233 2.543 . 0 0 "[ . 1 . 2]" 2
175 1 87 VAL H 1 87 VAL MG1 . . 3.620 3.094 1.799 3.671 0.051 2 0 "[ . 1 . 2]" 2
176 1 84 LEU HA 1 85 GLN H . . 2.820 2.267 2.188 2.419 . 0 0 "[ . 1 . 2]" 2
177 1 85 GLN H 1 85 GLN QG . . 4.050 3.082 1.924 4.093 0.043 6 0 "[ . 1 . 2]" 2
178 1 85 GLN H 1 85 GLN HB3 . . 3.870 3.104 2.572 3.815 . 0 0 "[ . 1 . 2]" 2
179 1 84 LEU HB2 1 85 GLN H . . 4.270 3.957 3.698 4.127 . 0 0 "[ . 1 . 2]" 2
180 1 84 LEU HB3 1 85 GLN H . . 3.480 2.793 2.382 3.056 . 0 0 "[ . 1 . 2]" 2
181 1 84 LEU MD2 1 85 GLN H . . 3.440 3.152 2.844 3.395 . 0 0 "[ . 1 . 2]" 2
182 1 62 GLN H 1 63 SER H . . 4.470 4.174 3.839 4.424 . 0 0 "[ . 1 . 2]" 2
183 1 85 GLN HA 1 87 VAL H . . 3.620 3.499 3.337 3.639 0.019 16 0 "[ . 1 . 2]" 2
184 1 86 PRO HB3 1 87 VAL H . . 3.700 3.343 3.274 3.418 . 0 0 "[ . 1 . 2]" 2
185 1 87 VAL H 1 87 VAL HB . . 3.400 2.795 2.256 3.574 0.174 5 0 "[ . 1 . 2]" 2
186 1 44 LEU H 1 45 LYS H . . 3.810 2.215 2.034 2.404 . 0 0 "[ . 1 . 2]" 2
187 1 42 THR HB 1 44 LEU H . . 4.200 2.869 2.303 4.015 . 0 0 "[ . 1 . 2]" 2
188 1 43 PRO QD 1 44 LEU H . . 4.100 2.934 2.747 3.091 . 0 0 "[ . 1 . 2]" 2
189 1 44 LEU H 1 44 LEU HB3 . . 3.270 2.576 2.363 2.856 . 0 0 "[ . 1 . 2]" 2
190 1 44 LEU H 1 44 LEU HB2 . . 3.270 2.780 2.449 3.097 . 0 0 "[ . 1 . 2]" 2
191 1 44 LEU H 1 44 LEU MD1 . . 4.440 4.285 3.933 4.450 0.010 5 0 "[ . 1 . 2]" 2
192 1 33 HIS HB3 1 36 CYS H . . 3.430 2.978 2.508 3.438 0.008 7 0 "[ . 1 . 2]" 2
193 1 33 HIS HB2 1 36 CYS H . . 3.430 2.398 2.206 2.740 . 0 0 "[ . 1 . 2]" 2
194 1 36 CYS H 1 36 CYS HB2 . . 3.420 2.293 2.179 2.523 . 0 0 "[ . 1 . 2]" 2
195 1 35 MET HB3 1 36 CYS H . . 4.360 3.171 2.413 4.078 . 0 0 "[ . 1 . 2]" 2
196 1 36 CYS H 1 36 CYS HB3 . . 3.800 3.544 3.487 3.589 . 0 0 "[ . 1 . 2]" 2
197 1 98 CYS HA 1 99 LYS H . . 3.330 2.360 2.212 2.521 . 0 0 "[ . 1 . 2]" 2
198 1 98 CYS HB2 1 99 LYS H . . 3.500 2.694 2.292 3.067 . 0 0 "[ . 1 . 2]" 2
199 1 98 CYS HB3 1 99 LYS H . . 4.150 4.007 3.753 4.234 0.084 6 0 "[ . 1 . 2]" 2
200 1 99 LYS H 1 99 LYS HB3 . . 3.490 2.483 2.257 2.789 . 0 0 "[ . 1 . 2]" 2
201 1 99 LYS H 1 99 LYS HB2 . . 3.490 2.592 2.324 2.870 . 0 0 "[ . 1 . 2]" 2
202 1 99 LYS H 1 99 LYS QG . . 4.060 3.984 3.908 4.044 . 0 0 "[ . 1 . 2]" 2
203 1 57 CYS HB3 1 61 LYS H . . 3.970 2.771 2.040 3.934 . 0 0 "[ . 1 . 2]" 2
204 1 61 LYS H 1 61 LYS HG3 . . 4.630 4.188 3.676 4.373 . 0 0 "[ . 1 . 2]" 2
205 1 58 GLN HE22 1 58 GLN HG2 . . 4.080 3.481 3.436 3.946 . 0 0 "[ . 1 . 2]" 2
206 1 31 HIS H 1 32 TYR H . . 4.710 4.446 4.359 4.536 . 0 0 "[ . 1 . 2]" 2
207 1 32 TYR H 1 32 TYR QD . . 3.660 3.027 2.624 3.405 . 0 0 "[ . 1 . 2]" 2
208 1 31 HIS HA 1 32 TYR H . . 3.030 2.245 2.163 2.337 . 0 0 "[ . 1 . 2]" 2
209 1 24 PHE HA 1 32 TYR H . . 5.040 4.373 3.952 4.720 . 0 0 "[ . 1 . 2]" 2
210 1 32 TYR H 1 33 HIS HA . . 5.460 4.615 4.516 4.823 . 0 0 "[ . 1 . 2]" 2
211 1 32 TYR H 1 32 TYR HB3 . . 4.020 3.926 3.808 3.982 . 0 0 "[ . 1 . 2]" 2
212 1 32 TYR H 1 32 TYR HB2 . . 3.500 2.910 2.698 3.037 . 0 0 "[ . 1 . 2]" 2
213 1 63 SER H 1 63 SER HB2 . . 3.770 3.491 2.721 3.790 0.020 15 0 "[ . 1 . 2]" 2
214 1 62 GLN QG 1 63 SER H . . 4.490 4.112 3.522 4.514 0.024 12 0 "[ . 1 . 2]" 2
215 1 62 GLN QB 1 63 SER H . . 3.480 3.136 2.131 3.575 0.095 7 0 "[ . 1 . 2]" 2
216 1 56 VAL MG1 1 63 SER H . . 3.890 3.588 3.343 3.937 0.047 5 0 "[ . 1 . 2]" 2
217 1 21 ASP H 1 22 GLN H . . 3.460 2.809 2.416 3.084 . 0 0 "[ . 1 . 2]" 2
218 1 19 LEU HA 1 22 GLN H . . 4.070 3.806 3.389 4.089 0.019 16 0 "[ . 1 . 2]" 2
219 1 22 GLN H 1 22 GLN HG2 . . 4.240 2.436 1.867 4.132 . 0 0 "[ . 1 . 2]" 2
220 1 22 GLN H 1 22 GLN HB3 . . 3.770 2.821 2.472 3.647 . 0 0 "[ . 1 . 2]" 2
221 1 22 GLN H 1 22 GLN HB2 . . 3.770 3.431 2.403 3.629 . 0 0 "[ . 1 . 2]" 2
222 1 13 CYS H 1 14 ASP HA . . 4.450 4.247 4.053 4.484 0.034 18 0 "[ . 1 . 2]" 2
223 1 10 CYS HA 1 13 CYS H . . 4.900 4.533 4.254 4.931 0.031 18 0 "[ . 1 . 2]" 2
224 1 10 CYS HB2 1 13 CYS H . . 4.290 3.894 3.767 4.097 . 0 0 "[ . 1 . 2]" 2
225 1 13 CYS H 1 13 CYS HB2 . . 3.950 3.748 3.660 3.861 . 0 0 "[ . 1 . 2]" 2
226 1 13 CYS H 1 13 CYS HB3 . . 3.780 2.835 2.664 2.981 . 0 0 "[ . 1 . 2]" 2
227 1 12 VAL MG1 1 13 CYS H . . 4.200 3.471 3.132 4.188 . 0 0 "[ . 1 . 2]" 2
228 1 12 VAL MG2 1 13 CYS H . . 4.200 3.638 2.121 3.941 . 0 0 "[ . 1 . 2]" 2
229 1 9 ASN H 1 10 CYS H . . 4.650 4.518 4.420 4.623 . 0 0 "[ . 1 . 2]" 2
230 1 9 ASN H 1 9 ASN HB3 . . 3.710 3.503 2.735 3.734 0.024 8 0 "[ . 1 . 2]" 2
231 1 9 ASN H 1 9 ASN HB2 . . 3.710 2.653 2.216 3.632 . 0 0 "[ . 1 . 2]" 2
232 1 8 ALA MB 1 9 ASN H . . 3.550 3.553 3.447 3.692 0.142 6 0 "[ . 1 . 2]" 2
233 1 55 LYS H 1 56 VAL H . . 4.650 4.609 4.571 4.645 . 0 0 "[ . 1 . 2]" 2
234 1 55 LYS HA 1 56 VAL H . . 2.990 2.223 2.166 2.294 . 0 0 "[ . 1 . 2]" 2
235 1 56 VAL H 1 56 VAL HB . . 4.190 3.945 3.859 4.004 . 0 0 "[ . 1 . 2]" 2
236 1 55 LYS HB2 1 56 VAL H . . 4.030 3.431 2.783 3.993 . 0 0 "[ . 1 . 2]" 2
237 1 55 LYS HG2 1 56 VAL H . . 4.980 3.832 2.374 4.807 . 0 0 "[ . 1 . 2]" 2
238 1 55 LYS HG3 1 56 VAL H . . 4.980 3.167 2.311 3.744 . 0 0 "[ . 1 . 2]" 2
239 1 56 VAL H 1 56 VAL MG1 . . 3.610 3.025 2.848 3.206 . 0 0 "[ . 1 . 2]" 2
240 1 56 VAL H 1 56 VAL MG2 . . 3.220 2.317 2.145 2.517 . 0 0 "[ . 1 . 2]" 2
241 1 37 LEU H 1 39 ILE H . . 4.030 3.639 3.408 3.950 . 0 0 "[ . 1 . 2]" 2
242 1 38 ASP HA 1 39 ILE H . . 3.130 2.804 2.746 2.907 . 0 0 "[ . 1 . 2]" 2
243 1 39 ILE H 1 39 ILE HB . . 3.570 2.571 2.503 2.649 . 0 0 "[ . 1 . 2]" 2
244 1 39 ILE H 1 39 ILE HG12 . . 4.030 3.804 3.561 3.928 . 0 0 "[ . 1 . 2]" 2
245 1 39 ILE H 1 39 ILE HG13 . . 4.030 2.565 2.377 2.730 . 0 0 "[ . 1 . 2]" 2
246 1 39 ILE H 1 39 ILE MG . . 4.030 3.819 3.789 3.857 . 0 0 "[ . 1 . 2]" 2
247 1 45 LYS H 1 46 ARG H . . 3.770 2.729 2.482 2.943 . 0 0 "[ . 1 . 2]" 2
248 1 45 LYS H 1 45 LYS HB2 . . 4.010 2.324 2.133 2.588 . 0 0 "[ . 1 . 2]" 2
249 1 45 LYS H 1 45 LYS HB3 . . 4.010 3.366 2.760 3.600 . 0 0 "[ . 1 . 2]" 2
250 1 46 ARG H 1 46 ARG HB3 . . 4.050 3.618 3.583 3.637 . 0 0 "[ . 1 . 2]" 2
251 1 46 ARG H 1 46 ARG HB2 . . 3.750 2.561 2.390 2.679 . 0 0 "[ . 1 . 2]" 2
252 1 46 ARG H 1 46 ARG HG2 . . 4.590 3.438 3.130 3.724 . 0 0 "[ . 1 . 2]" 2
253 1 51 CYS HA 1 53 GLU H . . 4.660 3.907 3.863 3.961 . 0 0 "[ . 1 . 2]" 2
254 1 53 GLU H 1 55 LYS H . . 4.060 3.659 3.454 4.080 0.020 4 0 "[ . 1 . 2]" 2
255 1 53 GLU H 1 53 GLU HG3 . . 3.710 3.095 2.429 3.591 . 0 0 "[ . 1 . 2]" 2
256 1 53 GLU H 1 53 GLU QB . . 3.000 2.513 2.399 2.594 . 0 0 "[ . 1 . 2]" 2
257 1 52 PRO HB2 1 53 GLU H . . 4.510 3.830 3.705 3.910 . 0 0 "[ . 1 . 2]" 2
258 1 11 ALA MB 1 30 GLN HE21 . . 4.290 3.081 1.871 4.291 0.001 12 0 "[ . 1 . 2]" 2
259 1 69 MET HA 1 81 THR H . . 4.010 3.487 3.065 3.815 . 0 0 "[ . 1 . 2]" 2
260 1 33 HIS HA 1 34 GLY H . . 3.310 2.312 2.198 2.457 . 0 0 "[ . 1 . 2]" 2
261 1 28 CYS H 1 29 GLY H . . 3.170 2.390 2.349 2.453 . 0 0 "[ . 1 . 2]" 2
262 1 29 GLY H 1 30 GLN H . . 3.540 2.310 2.190 2.407 . 0 0 "[ . 1 . 2]" 2
263 1 25 CYS HB3 1 29 GLY H . . 3.800 1.973 1.885 2.163 . 0 0 "[ . 1 . 2]" 2
264 1 93 THR H 1 93 THR MG . . 4.270 2.974 1.885 3.941 . 0 0 "[ . 1 . 2]" 2
265 1 14 ASP H 1 15 SER H . . 3.400 2.734 2.566 3.072 . 0 0 "[ . 1 . 2]" 2
266 1 10 CYS H 1 15 SER H . . 3.780 2.644 2.210 2.930 . 0 0 "[ . 1 . 2]" 2
267 1 15 SER H 1 15 SER QB . . 3.150 2.629 2.583 2.709 . 0 0 "[ . 1 . 2]" 2
268 1 10 CYS HB2 1 15 SER H . . 4.230 2.914 2.502 3.148 . 0 0 "[ . 1 . 2]" 2
269 1 39 ILE MD 1 49 TRP HE1 . . 3.880 2.654 2.033 3.537 . 0 0 "[ . 1 . 2]" 2
270 1 72 CYS HA 1 73 ASP H . . 3.370 2.320 2.146 2.414 . 0 0 "[ . 1 . 2]" 2
271 1 81 THR H 1 82 PHE H . . 3.650 2.751 2.255 3.005 . 0 0 "[ . 1 . 2]" 2
272 1 82 PHE H 1 83 CYS H . . 3.490 2.555 2.367 2.704 . 0 0 "[ . 1 . 2]" 2
273 1 82 PHE H 1 82 PHE QD . . 3.370 2.313 1.898 2.646 . 0 0 "[ . 1 . 2]" 2
274 1 11 ALA H 1 32 TYR HA . . 4.000 3.574 3.202 3.878 . 0 0 "[ . 1 . 2]" 2
275 1 106 SER QB 1 107 GLY H . . 4.440 3.450 2.196 4.026 . 0 0 "[ . 1 . 2]" 2
276 1 72 CYS H 1 77 LYS H . . 4.210 3.118 2.479 3.592 . 0 0 "[ . 1 . 2]" 2
277 1 71 VAL HA 1 72 CYS H . . 3.320 2.162 2.140 2.204 . 0 0 "[ . 1 . 2]" 2
278 1 72 CYS H 1 72 CYS HB2 . . 3.760 2.355 2.172 2.573 . 0 0 "[ . 1 . 2]" 2
279 1 72 CYS H 1 72 CYS HB3 . . 3.760 2.741 2.489 2.978 . 0 0 "[ . 1 . 2]" 2
280 1 9 ASN HB3 1 9 ASN HD22 . . 4.040 3.639 3.436 4.037 . 0 0 "[ . 1 . 2]" 2
281 1 9 ASN HB2 1 9 ASN HD22 . . 4.040 3.654 3.466 4.008 . 0 0 "[ . 1 . 2]" 2
282 1 63 SER HA 1 64 GLY H . . 3.360 2.355 2.142 3.357 . 0 0 "[ . 1 . 2]" 2
283 1 63 SER HB3 1 64 GLY H . . 4.440 4.167 2.671 4.480 0.040 15 0 "[ . 1 . 2]" 2
284 1 64 GLY H 1 69 MET ME . . 4.950 4.207 3.452 4.945 . 0 0 "[ . 1 . 2]" 2
285 1 94 ASN HB3 1 95 GLY H . . 4.440 3.883 2.348 4.453 0.013 19 0 "[ . 1 . 2]" 2
286 1 39 ILE HA 1 40 ALA H . . 2.740 2.223 2.182 2.288 . 0 0 "[ . 1 . 2]" 2
287 1 58 GLN H 1 58 GLN HG2 . . 3.780 2.733 2.386 3.089 . 0 0 "[ . 1 . 2]" 2
288 1 58 GLN H 1 58 GLN HB2 . . 3.950 2.440 2.293 2.569 . 0 0 "[ . 1 . 2]" 2
289 1 58 GLN H 1 58 GLN HB3 . . 3.950 3.637 3.553 3.713 . 0 0 "[ . 1 . 2]" 2
290 1 50 GLN HA 1 51 CYS H . . 3.200 2.160 2.139 2.210 . 0 0 "[ . 1 . 2]" 2
291 1 25 CYS HB2 1 51 CYS H . . 3.990 2.745 2.408 3.089 . 0 0 "[ . 1 . 2]" 2
292 1 51 CYS H 1 51 CYS HB2 . . 3.890 3.550 3.508 3.631 . 0 0 "[ . 1 . 2]" 2
293 1 51 CYS H 1 54 CYS HB2 . . 4.160 3.517 3.261 3.788 . 0 0 "[ . 1 . 2]" 2
294 1 51 CYS H 1 51 CYS HB3 . . 3.670 2.291 2.206 2.468 . 0 0 "[ . 1 . 2]" 2
295 1 50 GLN HB3 1 51 CYS H . . 4.540 3.477 3.055 3.932 . 0 0 "[ . 1 . 2]" 2
296 1 15 SER QB 1 17 GLY H . . 3.930 3.304 2.562 3.939 0.009 1 0 "[ . 1 . 2]" 2
297 1 16 PRO QD 1 17 GLY H . . 3.580 2.703 2.615 2.795 . 0 0 "[ . 1 . 2]" 2
298 1 16 PRO HB2 1 17 GLY H . . 3.810 3.016 2.831 3.817 0.007 9 0 "[ . 1 . 2]" 2
299 1 72 CYS HB2 1 98 CYS H . . 4.650 3.474 2.691 3.934 . 0 0 "[ . 1 . 2]" 2
300 1 98 CYS H 1 98 CYS HB2 . . 3.910 3.581 3.550 3.681 . 0 0 "[ . 1 . 2]" 2
301 1 98 CYS H 1 98 CYS HB3 . . 3.860 2.368 2.286 2.666 . 0 0 "[ . 1 . 2]" 2
302 1 97 LYS HB2 1 98 CYS H . . 5.010 4.412 4.163 4.549 . 0 0 "[ . 1 . 2]" 2
303 1 56 VAL HA 1 57 CYS H . . 3.220 2.476 2.289 2.573 . 0 0 "[ . 1 . 2]" 2
304 1 57 CYS H 1 57 CYS HB3 . . 3.380 2.585 2.473 2.699 . 0 0 "[ . 1 . 2]" 2
305 1 57 CYS H 1 57 CYS HB2 . . 3.530 2.484 2.366 2.618 . 0 0 "[ . 1 . 2]" 2
306 1 56 VAL HB 1 57 CYS H . . 3.710 2.271 2.111 2.712 . 0 0 "[ . 1 . 2]" 2
307 1 81 THR HB 1 88 MET H . . 4.140 3.192 2.568 3.686 . 0 0 "[ . 1 . 2]" 2
308 1 87 VAL HA 1 88 MET H . . 2.810 2.285 2.183 2.409 . 0 0 "[ . 1 . 2]" 2
309 1 81 THR HA 1 88 MET H . . 4.310 3.109 2.827 3.507 . 0 0 "[ . 1 . 2]" 2
310 1 88 MET H 1 88 MET QG . . 3.750 2.878 2.555 3.097 . 0 0 "[ . 1 . 2]" 2
311 1 87 VAL HB 1 88 MET H . . 4.010 3.590 2.402 4.104 0.094 7 0 "[ . 1 . 2]" 2
312 1 88 MET H 1 88 MET HB2 . . 3.390 2.319 2.208 2.444 . 0 0 "[ . 1 . 2]" 2
313 1 84 LEU HB2 1 88 MET H . . 4.160 2.711 2.449 3.052 . 0 0 "[ . 1 . 2]" 2
314 1 81 THR MG 1 88 MET H . . 4.650 3.928 3.594 4.370 . 0 0 "[ . 1 . 2]" 2
315 1 49 TRP HB3 1 50 GLN H . . 4.490 3.871 3.532 4.307 . 0 0 "[ . 1 . 2]" 2
316 1 49 TRP HD1 1 50 GLN H . . 3.860 3.307 2.772 3.916 0.056 17 0 "[ . 1 . 2]" 2
317 1 49 TRP HA 1 50 GLN H . . 2.940 2.289 2.152 2.434 . 0 0 "[ . 1 . 2]" 2
318 1 50 GLN H 1 50 GLN HB2 . . 4.190 2.592 2.348 2.852 . 0 0 "[ . 1 . 2]" 2
319 1 50 GLN H 1 50 GLN HB3 . . 4.190 3.592 2.908 3.792 . 0 0 "[ . 1 . 2]" 2
320 1 96 TRP HD1 1 97 LYS H . . 4.040 3.344 2.318 4.041 0.001 3 0 "[ . 1 . 2]" 2
321 1 96 TRP HA 1 97 LYS H . . 2.930 2.274 2.140 2.354 . 0 0 "[ . 1 . 2]" 2
322 1 96 TRP QB 1 97 LYS H . . 4.000 3.488 3.344 3.868 . 0 0 "[ . 1 . 2]" 2
323 1 97 LYS H 1 97 LYS HB2 . . 3.860 2.897 2.554 3.078 . 0 0 "[ . 1 . 2]" 2
324 1 97 LYS H 1 97 LYS HB3 . . 3.860 3.073 2.746 3.665 . 0 0 "[ . 1 . 2]" 2
325 1 94 ASN HB2 1 95 GLY H . . 4.440 3.820 2.215 4.494 0.054 3 0 "[ . 1 . 2]" 2
326 1 9 ASN H 1 9 ASN HD21 . . 5.410 4.494 3.598 5.081 . 0 0 "[ . 1 . 2]" 2
327 1 28 CYS H 1 28 CYS HB2 . . 4.110 3.638 3.628 3.651 . 0 0 "[ . 1 . 2]" 2
328 1 25 CYS HB3 1 28 CYS H . . 4.370 3.410 3.214 3.561 . 0 0 "[ . 1 . 2]" 2
329 1 7 GLY H 1 8 ALA H . . 4.870 4.014 2.793 4.623 . 0 0 "[ . 1 . 2]" 2
330 1 9 ASN H 1 9 ASN HD22 . . 5.410 4.883 3.523 5.418 0.008 8 0 "[ . 1 . 2]" 2
331 1 7 GLY QA 1 9 ASN H . . 4.790 4.115 3.016 4.767 . 0 0 "[ . 1 . 2]" 2
332 1 10 CYS HB3 1 11 ALA H . . 4.950 3.994 3.689 4.204 . 0 0 "[ . 1 . 2]" 2
333 1 12 VAL H 1 36 CYS HB3 . . 4.830 4.721 4.544 4.856 0.026 6 0 "[ . 1 . 2]" 2
334 1 12 VAL H 1 32 TYR QD . . 4.390 3.992 3.674 4.289 . 0 0 "[ . 1 . 2]" 2
335 1 12 VAL H 1 32 TYR QE . . 4.860 4.398 3.812 4.854 . 0 0 "[ . 1 . 2]" 2
336 1 12 VAL H 1 32 TYR HA . . 4.540 4.433 4.200 4.592 0.052 2 0 "[ . 1 . 2]" 2
337 1 10 CYS HB3 1 15 SER H . . 4.230 2.129 1.878 2.280 . 0 0 "[ . 1 . 2]" 2
338 1 16 PRO HB3 1 17 GLY H . . 4.380 3.960 3.853 4.423 0.043 9 0 "[ . 1 . 2]" 2
339 1 17 GLY H 1 18 ASP H . . 4.740 4.392 3.647 4.610 . 0 0 "[ . 1 . 2]" 2
340 1 20 LEU H 1 22 GLN H . . 4.420 4.263 3.848 4.507 0.087 20 0 "[ . 1 . 2]" 2
341 1 23 PHE QD 1 24 PHE H . . 4.490 3.860 3.328 4.140 . 0 0 "[ . 1 . 2]" 2
342 1 24 PHE H 1 24 PHE QD . . 4.770 4.062 3.814 4.215 . 0 0 "[ . 1 . 2]" 2
343 1 24 PHE H 1 49 TRP HE3 . . 4.780 2.904 2.461 3.455 . 0 0 "[ . 1 . 2]" 2
344 1 70 LEU HG 1 71 VAL H . . 5.400 4.846 4.262 5.162 . 0 0 "[ . 1 . 2]" 2
345 1 23 PHE HB2 1 24 PHE H . . 4.410 3.604 3.049 4.170 . 0 0 "[ . 1 . 2]" 2
346 1 25 CYS H 1 31 HIS HA . . 4.520 3.895 3.422 4.340 . 0 0 "[ . 1 . 2]" 2
347 1 25 CYS H 1 49 TRP HZ3 . . 4.360 2.660 2.279 3.615 . 0 0 "[ . 1 . 2]" 2
348 1 25 CYS H 1 49 TRP HE3 . . 4.600 3.367 2.818 4.034 . 0 0 "[ . 1 . 2]" 2
349 1 25 CYS HB2 1 26 THR H . . 4.800 3.973 3.882 4.106 . 0 0 "[ . 1 . 2]" 2
350 1 25 CYS HB3 1 26 THR H . . 5.040 3.690 3.564 3.814 . 0 0 "[ . 1 . 2]" 2
351 1 26 THR MG 1 27 THR H . . 4.310 4.012 3.870 4.092 . 0 0 "[ . 1 . 2]" 2
352 1 27 THR H 1 54 CYS HB3 . . 4.690 4.409 4.202 4.609 . 0 0 "[ . 1 . 2]" 2
353 1 25 CYS HB3 1 27 THR H . . 4.790 4.042 3.774 4.269 . 0 0 "[ . 1 . 2]" 2
354 1 27 THR H 1 28 CYS HA . . 5.500 5.301 5.206 5.376 . 0 0 "[ . 1 . 2]" 2
355 1 27 THR H 1 50 GLN HA . . 4.770 4.571 4.268 4.760 . 0 0 "[ . 1 . 2]" 2
356 1 25 CYS HB2 1 29 GLY H . . 4.280 3.667 3.548 3.868 . 0 0 "[ . 1 . 2]" 2
357 1 28 CYS HB3 1 29 GLY H . . 4.790 3.812 3.749 3.917 . 0 0 "[ . 1 . 2]" 2
358 1 30 GLN H 1 31 HIS H . . 4.780 4.525 4.480 4.570 . 0 0 "[ . 1 . 2]" 2
359 1 30 GLN H 1 32 TYR QE . . 4.720 3.859 3.461 4.077 . 0 0 "[ . 1 . 2]" 2
360 1 11 ALA MB 1 31 HIS H . . 4.530 3.737 3.121 4.128 . 0 0 "[ . 1 . 2]" 2
361 1 31 HIS H 1 31 HIS HD2 . . 4.320 3.023 2.294 4.361 0.041 15 0 "[ . 1 . 2]" 2
362 1 10 CYS HA 1 32 TYR H . . 5.160 4.738 4.370 5.178 0.018 15 0 "[ . 1 . 2]" 2
363 1 10 CYS HB3 1 33 HIS H . . 5.040 4.927 4.734 5.084 0.044 18 0 "[ . 1 . 2]" 2
364 1 32 TYR HB2 1 33 HIS H . . 4.790 4.166 3.738 4.341 . 0 0 "[ . 1 . 2]" 2
365 1 33 HIS H 1 36 CYS HB2 . . 4.540 2.743 2.351 3.149 . 0 0 "[ . 1 . 2]" 2
366 1 10 CYS HB2 1 33 HIS H . . 5.040 4.025 3.705 4.270 . 0 0 "[ . 1 . 2]" 2
367 1 10 CYS HA 1 33 HIS H . . 4.700 4.473 3.897 4.714 0.014 18 0 "[ . 1 . 2]" 2
368 1 32 TYR QD 1 33 HIS H . . 5.010 4.324 3.914 4.666 . 0 0 "[ . 1 . 2]" 2
369 1 34 GLY H 1 35 MET H . . 4.520 2.623 2.407 2.859 . 0 0 "[ . 1 . 2]" 2
370 1 34 GLY H 1 36 CYS H . . 4.910 4.267 3.942 4.528 . 0 0 "[ . 1 . 2]" 2
371 1 23 PHE QE 1 34 GLY H . . 4.540 4.311 3.941 4.558 0.018 10 0 "[ . 1 . 2]" 2
372 1 23 PHE QD 1 34 GLY H . . 4.700 4.585 4.126 4.764 0.064 9 0 "[ . 1 . 2]" 2
373 1 33 HIS HB2 1 35 MET H . . 5.070 3.377 2.934 3.699 . 0 0 "[ . 1 . 2]" 2
374 1 35 MET H 1 36 CYS H . . 4.130 2.366 2.232 2.591 . 0 0 "[ . 1 . 2]" 2
375 1 33 HIS H 1 36 CYS H . . 4.730 4.270 3.970 4.679 . 0 0 "[ . 1 . 2]" 2
376 1 36 CYS H 1 38 ASP H . . 4.220 3.801 3.604 3.974 . 0 0 "[ . 1 . 2]" 2
377 1 38 ASP HB2 1 39 ILE H . . 4.620 4.326 4.120 4.602 . 0 0 "[ . 1 . 2]" 2
378 1 38 ASP HB3 1 39 ILE H . . 4.620 4.401 4.176 4.539 . 0 0 "[ . 1 . 2]" 2
379 1 34 GLY HA2 1 39 ILE H . . 4.720 3.111 2.685 3.490 . 0 0 "[ . 1 . 2]" 2
380 1 39 ILE H 1 40 ALA H . . 4.610 4.518 4.472 4.548 . 0 0 "[ . 1 . 2]" 2
381 1 42 THR MG 1 44 LEU H . . 4.540 3.758 2.709 4.121 . 0 0 "[ . 1 . 2]" 2
382 1 43 PRO HG2 1 44 LEU H . . 4.400 3.318 2.973 3.560 . 0 0 "[ . 1 . 2]" 2
383 1 46 ARG HB3 1 47 ALA H . . 4.240 3.448 3.083 3.758 . 0 0 "[ . 1 . 2]" 2
384 1 47 ALA HA 1 49 TRP H . . 4.460 4.250 3.759 4.441 . 0 0 "[ . 1 . 2]" 2
385 1 48 GLY H 1 49 TRP H . . 4.120 2.727 2.091 3.146 . 0 0 "[ . 1 . 2]" 2
386 1 49 TRP H 1 49 TRP HD1 . . 5.240 5.068 4.839 5.196 . 0 0 "[ . 1 . 2]" 2
387 1 49 TRP H 1 50 GLN H . . 4.700 4.594 4.535 4.651 . 0 0 "[ . 1 . 2]" 2
388 1 49 TRP HB2 1 50 GLN H . . 4.530 3.935 3.716 4.159 . 0 0 "[ . 1 . 2]" 2
389 1 50 GLN HB2 1 51 CYS H . . 4.540 4.409 4.220 4.538 . 0 0 "[ . 1 . 2]" 2
390 1 50 GLN H 1 51 CYS H . . 4.890 4.231 3.930 4.429 . 0 0 "[ . 1 . 2]" 2
391 1 51 CYS H 1 55 LYS H . . 5.370 4.307 3.549 4.859 . 0 0 "[ . 1 . 2]" 2
392 1 50 GLN HE21 1 51 CYS H . . 5.220 4.412 3.814 5.225 0.005 17 0 "[ . 1 . 2]" 2
393 1 51 CYS H 1 54 CYS H . . 5.500 4.349 4.002 4.666 . 0 0 "[ . 1 . 2]" 2
394 1 32 TYR QE 1 51 CYS H . . 5.500 5.254 4.847 5.522 0.022 18 0 "[ . 1 . 2]" 2
395 1 53 GLU H 1 54 CYS HB2 . . 4.610 4.351 4.272 4.460 . 0 0 "[ . 1 . 2]" 2
396 1 51 CYS HB2 1 53 GLU H . . 4.420 3.029 2.997 3.072 . 0 0 "[ . 1 . 2]" 2
397 1 53 GLU HG3 1 54 CYS H . . 5.100 4.786 4.262 5.119 0.019 8 0 "[ . 1 . 2]" 2
398 1 55 LYS H 1 55 LYS HG3 . . 4.610 4.237 3.746 4.602 . 0 0 "[ . 1 . 2]" 2
399 1 57 CYS H 1 62 GLN HA . . 5.270 5.019 4.540 5.328 0.058 16 0 "[ . 1 . 2]" 2
400 1 58 GLN HB3 1 59 ASN H . . 4.280 4.062 3.852 4.260 . 0 0 "[ . 1 . 2]" 2
401 1 57 CYS HB2 1 59 ASN H . . 4.820 4.480 4.234 4.606 . 0 0 "[ . 1 . 2]" 2
402 1 59 ASN H 1 79 TYR QE . . 4.550 4.245 2.630 4.594 0.044 1 0 "[ . 1 . 2]" 2
403 1 59 ASN H 1 79 TYR HA . . 4.510 4.274 3.841 4.550 0.040 16 0 "[ . 1 . 2]" 2
404 1 59 ASN H 1 83 CYS HB3 . . 4.750 4.229 3.929 4.573 . 0 0 "[ . 1 . 2]" 2
405 1 58 GLN HG2 1 59 ASN H . . 4.810 4.589 4.327 4.828 0.018 18 0 "[ . 1 . 2]" 2
406 1 56 VAL MG2 1 62 GLN H . . 4.360 3.896 3.083 4.251 . 0 0 "[ . 1 . 2]" 2
407 1 57 CYS HB2 1 62 GLN H . . 4.280 3.681 3.321 4.116 . 0 0 "[ . 1 . 2]" 2
408 1 56 VAL HB 1 63 SER H . . 4.880 3.759 3.205 4.149 . 0 0 "[ . 1 . 2]" 2
409 1 65 GLU HB3 1 66 ASP H . . 4.970 4.005 3.461 4.546 . 0 0 "[ . 1 . 2]" 2
410 1 68 LYS H 1 68 LYS HB3 . . 4.130 3.596 3.558 3.651 . 0 0 "[ . 1 . 2]" 2
411 1 71 VAL HB 1 72 CYS H . . 4.680 4.344 3.992 4.450 . 0 0 "[ . 1 . 2]" 2
412 1 72 CYS H 1 78 GLY HA2 . . 4.600 3.850 3.239 4.325 . 0 0 "[ . 1 . 2]" 2
413 1 72 CYS H 1 96 TRP HZ3 . . 4.240 2.825 2.077 3.587 . 0 0 "[ . 1 . 2]" 2
414 1 72 CYS H 1 79 TYR QD . . 4.740 4.061 3.053 4.742 0.002 20 0 "[ . 1 . 2]" 2
415 1 72 CYS H 1 76 ASP H . . 4.560 4.200 3.751 4.552 . 0 0 "[ . 1 . 2]" 2
416 1 74 THR H 1 97 LYS HA . . 4.760 4.484 4.090 4.791 0.031 20 0 "[ . 1 . 2]" 2
417 1 72 CYS HB2 1 75 CYS H . . 4.850 4.312 4.011 4.652 . 0 0 "[ . 1 . 2]" 2
418 1 72 CYS HB3 1 76 ASP H . . 4.660 1.890 1.859 2.017 . 0 0 "[ . 1 . 2]" 2
419 1 77 LYS H 1 79 TYR QE . . 4.660 3.751 2.915 4.655 . 0 0 "[ . 1 . 2]" 2
420 1 78 GLY H 1 79 TYR H . . 4.790 4.034 3.488 4.594 . 0 0 "[ . 1 . 2]" 2
421 1 77 LYS H 1 78 GLY H . . 4.960 3.548 2.352 4.570 . 0 0 "[ . 1 . 2]" 2
422 1 69 MET HA 1 79 TYR H . . 4.590 4.165 3.738 4.631 0.041 5 0 "[ . 1 . 2]" 2
423 1 79 TYR H 1 79 TYR HB2 . . 4.110 2.894 2.752 2.985 . 0 0 "[ . 1 . 2]" 2
424 1 69 MET QG 1 79 TYR H . . 4.100 2.662 2.139 3.074 . 0 0 "[ . 1 . 2]" 2
425 1 70 LEU HB2 1 79 TYR H . . 4.940 3.599 3.039 4.053 . 0 0 "[ . 1 . 2]" 2
426 1 70 LEU HB3 1 79 TYR H . . 4.940 4.687 4.340 4.934 . 0 0 "[ . 1 . 2]" 2
427 1 79 TYR HB3 1 80 HIS H . . 4.470 3.444 3.153 3.623 . 0 0 "[ . 1 . 2]" 2
428 1 57 CYS HB3 1 80 HIS H . . 4.710 4.651 4.391 4.787 0.077 7 0 "[ . 1 . 2]" 2
429 1 57 CYS HA 1 80 HIS H . . 4.270 4.135 3.875 4.278 0.008 12 0 "[ . 1 . 2]" 2
430 1 79 TYR QD 1 80 HIS H . . 4.790 4.256 3.647 4.535 . 0 0 "[ . 1 . 2]" 2
431 1 58 GLN H 1 80 HIS H . . 5.500 4.972 4.461 5.473 . 0 0 "[ . 1 . 2]" 2
432 1 79 TYR H 1 80 HIS H . . 4.730 4.099 3.995 4.245 . 0 0 "[ . 1 . 2]" 2
433 1 68 LYS HB2 1 81 THR H . . 4.740 4.350 3.751 4.759 0.019 5 0 "[ . 1 . 2]" 2
434 1 69 MET QG 1 81 THR H . . 5.500 5.376 4.363 5.560 0.060 4 0 "[ . 1 . 2]" 2
435 1 68 LYS HB3 1 81 THR H . . 4.740 3.311 2.914 3.842 . 0 0 "[ . 1 . 2]" 2
436 1 80 HIS HD2 1 81 THR H . . 4.470 4.321 3.952 4.519 0.049 11 0 "[ . 1 . 2]" 2
437 1 81 THR H 1 82 PHE QD . . 5.010 3.942 3.201 4.333 . 0 0 "[ . 1 . 2]" 2
438 1 69 MET H 1 81 THR H . . 5.500 4.899 4.571 5.508 0.008 13 0 "[ . 1 . 2]" 2
439 1 70 LEU H 1 81 THR H . . 4.610 4.010 3.227 4.544 . 0 0 "[ . 1 . 2]" 2
440 1 81 THR MG 1 82 PHE H . . 4.380 4.010 3.832 4.301 . 0 0 "[ . 1 . 2]" 2
441 1 81 THR HB 1 82 PHE H . . 4.310 3.510 3.173 3.825 . 0 0 "[ . 1 . 2]" 2
442 1 83 CYS H 1 84 LEU HG . . 4.480 3.757 3.436 4.255 . 0 0 "[ . 1 . 2]" 2
443 1 83 CYS H 1 84 LEU MD1 . . 5.390 4.591 3.957 5.010 . 0 0 "[ . 1 . 2]" 2
444 1 83 CYS H 1 84 LEU MD2 . . 5.500 4.925 4.725 5.424 . 0 0 "[ . 1 . 2]" 2
445 1 81 THR HA 1 83 CYS H . . 4.770 3.917 3.552 4.238 . 0 0 "[ . 1 . 2]" 2
446 1 81 THR HB 1 83 CYS H . . 5.390 5.124 4.726 5.383 . 0 0 "[ . 1 . 2]" 2
447 1 83 CYS H 1 84 LEU HA . . 5.500 4.844 4.502 5.143 . 0 0 "[ . 1 . 2]" 2
448 1 82 PHE QD 1 83 CYS H . . 4.590 3.541 3.024 4.405 . 0 0 "[ . 1 . 2]" 2
449 1 81 THR H 1 83 CYS H . . 4.740 3.961 3.740 4.312 . 0 0 "[ . 1 . 2]" 2
450 1 80 HIS H 1 83 CYS H . . 4.660 4.376 4.064 4.716 0.056 10 0 "[ . 1 . 2]" 2
451 1 83 CYS HB2 1 84 LEU H . . 4.210 3.689 3.115 4.064 . 0 0 "[ . 1 . 2]" 2
452 1 83 CYS HB3 1 84 LEU H . . 4.480 4.154 3.731 4.425 . 0 0 "[ . 1 . 2]" 2
453 1 81 THR HA 1 84 LEU H . . 4.470 4.116 3.519 4.498 0.028 19 0 "[ . 1 . 2]" 2
454 1 82 PHE H 1 84 LEU H . . 4.340 4.288 4.111 4.379 0.039 2 0 "[ . 1 . 2]" 2
455 1 84 LEU H 1 85 GLN H . . 4.620 4.539 4.433 4.616 . 0 0 "[ . 1 . 2]" 2
456 1 87 VAL H 1 88 MET H . . 4.660 4.588 4.536 4.616 . 0 0 "[ . 1 . 2]" 2
457 1 84 LEU H 1 88 MET H . . 4.830 3.975 3.685 4.333 . 0 0 "[ . 1 . 2]" 2
458 1 84 LEU MD1 1 88 MET H . . 4.160 2.910 2.454 3.286 . 0 0 "[ . 1 . 2]" 2
459 1 88 MET HB3 1 90 SER H . . 4.740 3.314 2.838 3.742 . 0 0 "[ . 1 . 2]" 2
460 1 89 LYS HB3 1 90 SER H . . 4.800 3.404 2.702 3.875 . 0 0 "[ . 1 . 2]" 2
461 1 89 LYS HB2 1 90 SER H . . 4.800 2.903 2.585 3.718 . 0 0 "[ . 1 . 2]" 2
462 1 96 TRP H 1 96 TRP HD1 . . 5.250 5.142 4.875 5.290 0.040 3 0 "[ . 1 . 2]" 2
463 1 96 TRP H 1 97 LYS H . . 4.620 4.533 4.286 4.628 0.008 8 0 "[ . 1 . 2]" 2
464 1 97 LYS H 1 98 CYS H . . 4.590 4.221 4.043 4.466 . 0 0 "[ . 1 . 2]" 2
465 1 72 CYS HA 1 98 CYS H . . 4.840 3.905 3.455 4.329 . 0 0 "[ . 1 . 2]" 2
466 1 98 CYS H 1 99 LYS H . . 5.230 4.603 4.519 4.625 . 0 0 "[ . 1 . 2]" 2
467 1 98 CYS H 1 101 CYS H . . 5.470 4.315 3.840 4.586 . 0 0 "[ . 1 . 2]" 2
468 1 100 ASN HB2 1 101 CYS H . . 4.270 3.711 2.769 4.267 . 0 0 "[ . 1 . 2]" 2
469 1 100 ASN H 1 102 ARG H . . 4.500 4.384 4.187 4.514 0.014 11 0 "[ . 1 . 2]" 2
470 1 100 ASN HA 1 102 ARG H . . 5.120 4.848 4.490 5.161 0.041 1 0 "[ . 1 . 2]" 2
471 1 102 ARG H 1 102 ARG QD . . 4.510 4.158 3.831 4.591 0.081 3 0 "[ . 1 . 2]" 2
472 1 101 CYS HB2 1 102 ARG H . . 4.250 2.698 2.505 2.982 . 0 0 "[ . 1 . 2]" 2
473 1 100 ASN HA 1 103 ILE H . . 4.670 4.176 3.783 4.364 . 0 0 "[ . 1 . 2]" 2
474 1 105 ILE HB 1 106 SER H . . 4.740 3.881 2.086 4.574 . 0 0 "[ . 1 . 2]" 2
475 1 84 LEU MD1 1 96 TRP HE1 . . 4.130 3.212 2.289 3.839 . 0 0 "[ . 1 . 2]" 2
476 1 30 GLN HB3 1 30 GLN HE21 . . 4.590 2.628 1.977 3.598 . 0 0 "[ . 1 . 2]" 2
477 1 30 GLN HA 1 30 GLN HE21 . . 4.740 2.738 1.878 3.997 . 0 0 "[ . 1 . 2]" 2
478 1 11 ALA MB 1 30 GLN HE22 . . 4.430 3.090 2.071 3.663 . 0 0 "[ . 1 . 2]" 2
479 1 50 GLN HE21 1 56 VAL MG2 . . 5.500 5.137 4.340 5.509 0.009 16 0 "[ . 1 . 2]" 2
480 1 59 ASN HD21 1 83 CYS HB3 . . 4.740 3.206 1.914 4.314 . 0 0 "[ . 1 . 2]" 2
481 1 59 ASN HD22 1 84 LEU MD2 . . 4.610 3.323 2.582 4.602 . 0 0 "[ . 1 . 2]" 2
482 1 59 ASN HD22 1 83 CYS HB3 . . 4.740 3.981 3.099 4.518 . 0 0 "[ . 1 . 2]" 2
483 1 30 GLN HE21 1 31 HIS H . . 4.530 3.118 2.505 3.694 . 0 0 "[ . 1 . 2]" 2
484 1 30 GLN H 1 30 GLN HE21 . . 5.410 4.929 4.251 5.414 0.004 20 0 "[ . 1 . 2]" 2
485 1 24 PHE QD 1 25 CYS H . . 4.560 3.613 2.904 4.080 . 0 0 "[ . 1 . 2]" 2
486 1 84 LEU H 1 88 MET QG . . 5.500 5.385 5.137 5.536 0.036 5 0 "[ . 1 . 2]" 2
487 1 84 LEU H 1 87 VAL HB . . 5.080 4.559 3.232 5.225 0.145 16 0 "[ . 1 . 2]" 2
488 1 84 LEU H 1 87 VAL MG2 . . 4.980 3.331 2.210 4.994 0.014 10 0 "[ . 1 . 2]" 2
489 1 84 LEU H 1 87 VAL MG1 . . 4.980 3.578 2.188 4.931 . 0 0 "[ . 1 . 2]" 2
490 1 37 LEU H 1 37 LEU HB2 . . 3.750 2.309 2.213 2.470 . 0 0 "[ . 1 . 2]" 2
491 1 39 ILE MG 1 49 TRP HE1 . . 4.760 3.450 2.750 4.106 . 0 0 "[ . 1 . 2]" 2
492 1 88 MET QG 1 96 TRP HE1 . . 4.980 3.042 1.937 4.103 . 0 0 "[ . 1 . 2]" 2
493 1 96 TRP HA 1 96 TRP HE1 . . 5.010 4.954 4.812 5.045 0.035 19 0 "[ . 1 . 2]" 2
494 1 70 LEU MD1 1 96 TRP HE1 . . 4.790 3.094 2.061 4.235 . 0 0 "[ . 1 . 2]" 2
495 1 70 LEU MD2 1 96 TRP HE1 . . 4.790 4.135 2.682 4.797 0.007 8 0 "[ . 1 . 2]" 2
496 1 35 MET HB2 1 36 CYS H . . 4.360 3.345 2.446 3.974 . 0 0 "[ . 1 . 2]" 2
497 1 22 GLN HA 1 34 GLY H . . 4.450 3.321 2.831 4.464 0.014 20 0 "[ . 1 . 2]" 2
498 1 24 PHE QE 1 29 GLY HA3 . . 4.230 3.199 2.581 3.942 . 0 0 "[ . 1 . 2]" 2
499 1 24 PHE HZ 1 29 GLY HA3 . . 4.790 3.869 3.240 4.788 . 0 0 "[ . 1 . 2]" 2
500 1 28 CYS H 1 29 GLY HA2 . . 4.970 4.603 4.552 4.642 . 0 0 "[ . 1 . 2]" 2
501 1 24 PHE QE 1 29 GLY HA2 . . 4.230 2.913 2.100 3.726 . 0 0 "[ . 1 . 2]" 2
502 1 26 THR MG 1 48 GLY QA . . 4.010 3.111 2.131 3.895 . 0 0 "[ . 1 . 2]" 2
503 1 39 ILE H 1 39 ILE MD . . 4.230 3.785 3.634 3.999 . 0 0 "[ . 1 . 2]" 2
504 1 39 ILE MD 1 49 TRP HZ2 . . 3.590 2.764 1.995 3.609 0.019 9 0 "[ . 1 . 2]" 2
505 1 23 PHE QE 1 39 ILE MD . . 4.040 3.520 3.086 3.965 . 0 0 "[ . 1 . 2]" 2
506 1 23 PHE QD 1 39 ILE MD . . 4.570 3.627 3.020 4.207 . 0 0 "[ . 1 . 2]" 2
507 1 39 ILE HA 1 39 ILE MD . . 4.010 3.855 3.782 3.899 . 0 0 "[ . 1 . 2]" 2
508 1 39 ILE MD 1 45 LYS HD3 . . 4.790 3.985 3.343 4.486 . 0 0 "[ . 1 . 2]" 2
509 1 39 ILE HB 1 39 ILE MD . . 3.170 2.363 2.226 2.421 . 0 0 "[ . 1 . 2]" 2
510 1 17 GLY HA2 1 18 ASP HA . . 4.850 4.458 4.380 4.538 . 0 0 "[ . 1 . 2]" 2
511 1 95 GLY HA3 1 96 TRP H . . 3.560 3.423 3.027 3.568 0.008 17 0 "[ . 1 . 2]" 2
512 1 107 GLY HA2 1 108 PRO QD . . 3.010 2.256 1.889 2.942 . 0 0 "[ . 1 . 2]" 2
513 1 107 GLY HA3 1 108 PRO QD . . 3.010 2.415 1.854 3.003 . 0 0 "[ . 1 . 2]" 2
514 1 78 GLY HA3 1 79 TYR H . . 3.490 3.222 3.083 3.338 . 0 0 "[ . 1 . 2]" 2
515 1 71 VAL HA 1 78 GLY HA3 . . 4.720 4.356 3.739 4.721 0.001 10 0 "[ . 1 . 2]" 2
516 1 56 VAL H 1 78 GLY HA3 . . 5.500 4.834 3.952 5.361 . 0 0 "[ . 1 . 2]" 2
517 1 78 GLY HA3 1 79 TYR QD . . 5.500 4.819 4.228 5.254 . 0 0 "[ . 1 . 2]" 2
518 1 32 TYR HB2 1 49 TRP HH2 . . 4.900 2.748 2.199 3.337 . 0 0 "[ . 1 . 2]" 2
519 1 32 TYR HB2 1 37 LEU HG . . 5.500 4.211 2.858 5.432 . 0 0 "[ . 1 . 2]" 2
520 1 84 LEU HB2 1 84 LEU MD1 . . 3.470 2.229 2.001 2.396 . 0 0 "[ . 1 . 2]" 2
521 1 37 LEU HB3 1 39 ILE HG13 . . 5.500 2.119 1.998 2.275 . 0 0 "[ . 1 . 2]" 2
522 1 45 LYS HD3 1 76 ASP HB2 . . 4.600 2.638 2.160 3.271 . 0 0 "[ . 1 . 2]" 2
523 1 45 LYS HG3 1 76 ASP HB2 . . 5.360 3.485 2.119 4.589 . 0 0 "[ . 1 . 2]" 2
524 1 45 LYS HG2 1 76 ASP HB2 . . 5.360 2.966 1.997 4.096 . 0 0 "[ . 1 . 2]" 2
525 1 45 LYS HD3 1 76 ASP HB3 . . 4.600 3.432 2.526 4.151 . 0 0 "[ . 1 . 2]" 2
526 1 45 LYS HG3 1 76 ASP HB3 . . 5.360 4.189 3.175 5.094 . 0 0 "[ . 1 . 2]" 2
527 1 45 LYS HG2 1 76 ASP HB3 . . 5.360 3.229 2.102 5.366 0.006 5 0 "[ . 1 . 2]" 2
528 1 102 ARG QB 1 102 ARG QD . . 3.400 2.233 2.062 2.426 . 0 0 "[ . 1 . 2]" 2
529 1 46 ARG HB2 1 46 ARG HD3 . . 4.060 2.564 2.249 3.714 . 0 0 "[ . 1 . 2]" 2
530 1 46 ARG HB3 1 46 ARG HD3 . . 3.940 2.916 2.488 3.679 . 0 0 "[ . 1 . 2]" 2
531 1 46 ARG HB3 1 46 ARG HD2 . . 3.940 3.573 2.493 3.836 . 0 0 "[ . 1 . 2]" 2
532 1 46 ARG HB2 1 46 ARG HD2 . . 4.060 3.332 2.172 3.770 . 0 0 "[ . 1 . 2]" 2
533 1 79 TYR HB3 1 96 TRP HH2 . . 4.930 3.807 2.928 4.807 . 0 0 "[ . 1 . 2]" 2
534 1 77 LYS QE 1 77 LYS HG2 . . 3.560 2.604 2.064 3.442 . 0 0 "[ . 1 . 2]" 2
535 1 77 LYS QE 1 77 LYS HG3 . . 3.560 2.591 2.147 3.449 . 0 0 "[ . 1 . 2]" 2
536 1 45 LYS HE3 1 74 THR HA . . 4.740 3.956 3.403 4.762 0.022 14 0 "[ . 1 . 2]" 2
537 1 42 THR MG 1 45 LYS HE3 . . 4.330 2.991 1.912 4.149 . 0 0 "[ . 1 . 2]" 2
538 1 61 LYS QE 1 61 LYS HG2 . . 3.460 2.784 2.118 3.265 . 0 0 "[ . 1 . 2]" 2
539 1 61 LYS QE 1 61 LYS HG3 . . 3.460 2.459 2.061 3.440 . 0 0 "[ . 1 . 2]" 2
540 1 58 GLN HA 1 61 LYS QE . . 4.400 3.557 2.082 4.428 0.028 15 0 "[ . 1 . 2]" 2
541 1 45 LYS HE2 1 74 THR HA . . 4.740 3.875 2.874 4.762 0.022 17 0 "[ . 1 . 2]" 2
542 1 68 LYS QE 1 68 LYS HG3 . . 3.470 2.546 2.231 3.250 . 0 0 "[ . 1 . 2]" 2
543 1 68 LYS QE 1 68 LYS HG2 . . 3.470 2.625 2.098 3.424 . 0 0 "[ . 1 . 2]" 2
544 1 44 LEU HB3 1 45 LYS H . . 4.540 2.520 2.213 3.142 . 0 0 "[ . 1 . 2]" 2
545 1 44 LEU HB3 1 44 LEU MD1 . . 3.490 2.890 2.326 3.181 . 0 0 "[ . 1 . 2]" 2
546 1 44 LEU HB2 1 45 LYS H . . 4.540 3.762 3.375 4.255 . 0 0 "[ . 1 . 2]" 2
547 1 44 LEU HB2 1 44 LEU MD1 . . 3.490 2.348 2.042 3.190 . 0 0 "[ . 1 . 2]" 2
548 1 19 LEU H 1 19 LEU HB2 . . 3.910 2.269 2.168 2.429 . 0 0 "[ . 1 . 2]" 2
549 1 99 LYS QE 1 99 LYS QG . . 3.220 2.205 2.037 2.504 . 0 0 "[ . 1 . 2]" 2
550 1 89 LYS QE 1 89 LYS HG3 . . 3.670 2.793 2.067 3.406 . 0 0 "[ . 1 . 2]" 2
551 1 89 LYS QE 1 89 LYS HG2 . . 3.670 2.576 2.059 3.461 . 0 0 "[ . 1 . 2]" 2
552 1 87 VAL MG2 1 89 LYS QE . . 4.810 4.070 2.194 4.842 0.032 15 0 "[ . 1 . 2]" 2
553 1 87 VAL MG1 1 89 LYS QE . . 4.810 3.649 2.508 4.811 0.001 14 0 "[ . 1 . 2]" 2
554 1 55 LYS HE3 1 71 VAL MG1 . . 4.160 3.267 1.963 4.174 0.014 3 0 "[ . 1 . 2]" 2
555 1 55 LYS HE2 1 71 VAL MG1 . . 4.160 3.359 2.109 4.121 . 0 0 "[ . 1 . 2]" 2
556 1 39 ILE HB 1 40 ALA H . . 4.000 3.939 3.805 4.025 0.025 14 0 "[ . 1 . 2]" 2
557 1 23 PHE QE 1 39 ILE HB . . 4.410 2.888 2.080 3.453 . 0 0 "[ . 1 . 2]" 2
558 1 34 GLY HA2 1 39 ILE HB . . 4.680 2.715 2.367 3.209 . 0 0 "[ . 1 . 2]" 2
559 1 73 ASP H 1 73 ASP QB . . 3.510 2.343 2.169 2.583 . 0 0 "[ . 1 . 2]" 2
560 1 73 ASP QB 1 74 THR H . . 4.030 3.198 2.543 4.016 . 0 0 "[ . 1 . 2]" 2
561 1 72 CYS HA 1 73 ASP QB . . 4.660 4.119 3.977 4.422 . 0 0 "[ . 1 . 2]" 2
562 1 24 PHE HB3 1 25 CYS H . . 4.670 4.441 4.158 4.568 . 0 0 "[ . 1 . 2]" 2
563 1 24 PHE HB2 1 25 CYS H . . 4.670 4.208 3.952 4.360 . 0 0 "[ . 1 . 2]" 2
564 1 20 LEU HB2 1 21 ASP H . . 4.790 2.783 2.350 3.937 . 0 0 "[ . 1 . 2]" 2
565 1 66 ASP H 1 66 ASP HB2 . . 3.820 2.960 2.235 3.632 . 0 0 "[ . 1 . 2]" 2
566 1 18 ASP HB3 1 19 LEU H . . 4.630 3.466 2.958 4.222 . 0 0 "[ . 1 . 2]" 2
567 1 18 ASP H 1 18 ASP HB2 . . 3.860 2.415 2.257 2.817 . 0 0 "[ . 1 . 2]" 2
568 1 18 ASP HB2 1 19 LEU H . . 4.630 4.336 4.149 4.599 . 0 0 "[ . 1 . 2]" 2
569 1 14 ASP HB3 1 15 SER H . . 4.650 4.367 4.244 4.655 0.005 12 0 "[ . 1 . 2]" 2
570 1 14 ASP H 1 14 ASP HB3 . . 4.100 3.736 2.971 4.106 0.006 14 0 "[ . 1 . 2]" 2
571 1 14 ASP H 1 14 ASP HB2 . . 4.100 3.342 2.877 3.958 . 0 0 "[ . 1 . 2]" 2
572 1 14 ASP HB2 1 15 SER H . . 4.650 4.514 4.249 4.655 0.005 6 0 "[ . 1 . 2]" 2
573 1 38 ASP H 1 38 ASP HB3 . . 4.020 3.945 3.645 4.085 0.065 19 0 "[ . 1 . 2]" 2
574 1 38 ASP H 1 38 ASP HB2 . . 4.020 3.490 3.022 3.812 . 0 0 "[ . 1 . 2]" 2
575 1 59 ASN H 1 59 ASN HB2 . . 3.780 2.501 2.247 2.757 . 0 0 "[ . 1 . 2]" 2
576 1 59 ASN HB2 1 60 CYS H . . 3.790 2.567 2.139 3.678 . 0 0 "[ . 1 . 2]" 2
577 1 59 ASN HB2 1 83 CYS HB3 . . 3.560 2.104 1.958 2.863 . 0 0 "[ . 1 . 2]" 2
578 1 59 ASN HB3 1 83 CYS HB3 . . 3.560 2.673 2.010 3.183 . 0 0 "[ . 1 . 2]" 2
579 1 100 ASN H 1 100 ASN HB3 . . 3.620 2.933 2.192 3.624 0.004 6 0 "[ . 1 . 2]" 2
580 1 100 ASN HB3 1 101 CYS H . . 4.270 3.254 2.703 4.077 . 0 0 "[ . 1 . 2]" 2
581 1 9 ASN HB3 1 10 CYS H . . 4.280 2.561 2.087 3.823 . 0 0 "[ . 1 . 2]" 2
582 1 9 ASN HB3 1 14 ASP HA . . 3.890 3.117 2.458 3.938 0.048 20 0 "[ . 1 . 2]" 2
583 1 103 ILE HB 1 104 CYS H . . 4.520 4.181 4.021 4.385 . 0 0 "[ . 1 . 2]" 2
584 1 100 ASN HA 1 103 ILE HB . . 4.620 4.492 3.900 4.636 0.016 12 0 "[ . 1 . 2]" 2
585 1 26 THR HA 1 26 THR HB . . 2.990 2.485 2.450 2.544 . 0 0 "[ . 1 . 2]" 2
586 1 27 THR HB 1 54 CYS HB3 . . 3.810 2.375 2.177 2.556 . 0 0 "[ . 1 . 2]" 2
587 1 53 GLU H 1 53 GLU HG2 . . 3.710 2.793 2.236 3.569 . 0 0 "[ . 1 . 2]" 2
588 1 65 GLU QG 1 82 PHE QE . . 3.880 3.017 1.984 3.781 . 0 0 "[ . 1 . 2]" 2
589 1 65 GLU QG 1 82 PHE HZ . . 3.780 3.113 2.312 3.668 . 0 0 "[ . 1 . 2]" 2
590 1 30 GLN HG2 1 31 HIS H . . 4.820 4.426 4.086 4.741 . 0 0 "[ . 1 . 2]" 2
591 1 30 GLN H 1 30 GLN HG2 . . 4.240 3.093 2.759 3.394 . 0 0 "[ . 1 . 2]" 2
592 1 30 GLN HG2 1 32 TYR QE . . 4.600 4.421 4.251 4.539 . 0 0 "[ . 1 . 2]" 2
593 1 30 GLN HA 1 30 GLN HG2 . . 3.900 2.647 2.354 3.007 . 0 0 "[ . 1 . 2]" 2
594 1 30 GLN HG3 1 31 HIS H . . 4.820 4.573 4.303 4.825 0.005 15 0 "[ . 1 . 2]" 2
595 1 30 GLN H 1 30 GLN HG3 . . 4.240 3.954 3.561 4.195 . 0 0 "[ . 1 . 2]" 2
596 1 30 GLN HG3 1 32 TYR QE . . 4.600 3.646 3.393 3.934 . 0 0 "[ . 1 . 2]" 2
597 1 30 GLN HA 1 30 GLN HG3 . . 3.900 3.670 3.601 3.749 . 0 0 "[ . 1 . 2]" 2
598 1 56 VAL HB 1 61 LYS HA . . 4.590 3.995 3.151 4.612 0.022 13 0 "[ . 1 . 2]" 2
599 1 22 GLN HG2 1 33 HIS HD2 . . 4.620 3.194 2.223 3.930 . 0 0 "[ . 1 . 2]" 2
600 1 22 GLN HG2 1 33 HIS HA . . 5.230 4.144 2.222 4.567 . 0 0 "[ . 1 . 2]" 2
601 1 22 GLN HA 1 22 GLN HG2 . . 4.220 3.552 2.206 4.238 0.018 12 0 "[ . 1 . 2]" 2
602 1 19 LEU HA 1 22 GLN HG2 . . 4.050 2.586 1.973 4.051 0.001 14 0 "[ . 1 . 2]" 2
603 1 19 LEU MD2 1 22 GLN HG2 . . 6.290 4.468 3.284 5.664 . 0 0 "[ . 1 . 2]" 2
604 1 22 GLN H 1 22 GLN HG3 . . 4.240 3.086 1.932 3.560 . 0 0 "[ . 1 . 2]" 2
605 1 22 GLN HG3 1 33 HIS HA . . 5.230 4.638 3.772 5.146 . 0 0 "[ . 1 . 2]" 2
606 1 85 GLN HA 1 86 PRO HB3 . . 4.330 4.100 4.097 4.107 . 0 0 "[ . 1 . 2]" 2
607 1 85 GLN HA 1 86 PRO HB2 . . 4.330 4.303 4.279 4.318 . 0 0 "[ . 1 . 2]" 2
608 1 58 GLN H 1 58 GLN HG3 . . 4.140 3.864 3.454 4.150 0.010 5 0 "[ . 1 . 2]" 2
609 1 23 PHE HZ 1 45 LYS HB2 . . 4.990 3.994 3.224 5.108 0.118 9 0 "[ . 1 . 2]" 2
610 1 23 PHE QE 1 45 LYS HB2 . . 4.400 2.895 2.172 4.303 . 0 0 "[ . 1 . 2]" 2
611 1 23 PHE HZ 1 45 LYS HB3 . . 4.990 4.005 3.236 4.841 . 0 0 "[ . 1 . 2]" 2
612 1 58 GLN HG3 1 79 TYR QE . . 4.700 3.257 2.595 4.142 . 0 0 "[ . 1 . 2]" 2
613 1 50 GLN HA 1 50 GLN HG3 . . 4.210 3.013 2.301 3.180 . 0 0 "[ . 1 . 2]" 2
614 1 88 MET H 1 88 MET HB3 . . 3.880 3.575 3.493 3.655 . 0 0 "[ . 1 . 2]" 2
615 1 81 THR HB 1 88 MET HB3 . . 4.230 3.654 3.008 4.127 . 0 0 "[ . 1 . 2]" 2
616 1 81 THR HA 1 88 MET HB3 . . 4.610 4.136 3.751 4.624 0.014 13 0 "[ . 1 . 2]" 2
617 1 81 THR HB 1 88 MET HB2 . . 4.130 2.727 2.237 3.495 . 0 0 "[ . 1 . 2]" 2
618 1 69 MET HB3 1 70 LEU H . . 4.620 4.231 3.875 4.464 . 0 0 "[ . 1 . 2]" 2
619 1 69 MET HB2 1 70 LEU H . . 4.620 4.299 4.040 4.588 . 0 0 "[ . 1 . 2]" 2
620 1 69 MET H 1 69 MET HB2 . . 4.120 2.617 2.314 3.213 . 0 0 "[ . 1 . 2]" 2
621 1 69 MET H 1 69 MET HB3 . . 4.120 2.632 2.406 2.961 . 0 0 "[ . 1 . 2]" 2
622 1 70 LEU HA 1 71 VAL HB . . 4.860 4.617 4.471 4.737 . 0 0 "[ . 1 . 2]" 2
623 1 52 PRO HA 1 55 LYS H . . 4.410 3.624 3.245 4.100 . 0 0 "[ . 1 . 2]" 2
624 1 52 PRO HA 1 55 LYS HB3 . . 4.250 2.817 2.297 3.481 . 0 0 "[ . 1 . 2]" 2
625 1 77 LYS HB2 1 79 TYR QE . . 4.490 2.197 1.985 2.639 . 0 0 "[ . 1 . 2]" 2
626 1 85 GLN HA 1 85 GLN QG . . 3.480 2.921 2.295 3.451 . 0 0 "[ . 1 . 2]" 2
627 1 50 GLN HB3 1 55 LYS HA . . 4.590 2.923 2.419 3.307 . 0 0 "[ . 1 . 2]" 2
628 1 74 THR HA 1 74 THR MG . . 3.110 2.422 2.272 2.525 . 0 0 "[ . 1 . 2]" 2
629 1 43 PRO HA 1 46 ARG H . . 4.900 4.237 3.976 4.421 . 0 0 "[ . 1 . 2]" 2
630 1 43 PRO HA 1 46 ARG HD3 . . 4.450 3.037 2.268 4.239 . 0 0 "[ . 1 . 2]" 2
631 1 43 PRO HA 1 46 ARG HD2 . . 4.450 3.645 1.987 4.523 0.073 5 0 "[ . 1 . 2]" 2
632 1 43 PRO HA 1 46 ARG HB2 . . 3.950 3.288 2.975 3.853 . 0 0 "[ . 1 . 2]" 2
633 1 14 ASP H 1 15 SER QB . . 4.650 4.492 4.263 4.679 0.029 9 0 "[ . 1 . 2]" 2
634 1 15 SER QB 1 33 HIS HE1 . . 3.450 2.756 2.200 3.424 . 0 0 "[ . 1 . 2]" 2
635 1 15 SER QB 1 16 PRO QD . . 3.290 2.707 2.138 3.151 . 0 0 "[ . 1 . 2]" 2
636 1 15 SER QB 1 16 PRO HG2 . . 5.500 4.332 3.814 4.903 . 0 0 "[ . 1 . 2]" 2
637 1 15 SER QB 1 16 PRO HG3 . . 5.500 5.161 4.665 5.551 0.051 15 0 "[ . 1 . 2]" 2
638 1 12 VAL H 1 12 VAL HB . . 3.640 2.702 2.486 3.653 0.013 2 0 "[ . 1 . 2]" 2
639 1 12 VAL HB 1 13 CYS H . . 3.590 2.617 2.281 3.499 . 0 0 "[ . 1 . 2]" 2
640 1 12 VAL HB 1 36 CYS HB3 . . 3.690 2.332 2.067 2.830 . 0 0 "[ . 1 . 2]" 2
641 1 81 THR HA 1 88 MET HB2 . . 3.750 2.525 2.190 2.920 . 0 0 "[ . 1 . 2]" 2
642 1 70 LEU HG 1 81 THR HA . . 4.990 4.093 3.375 5.032 0.042 9 0 "[ . 1 . 2]" 2
643 1 81 THR HA 1 84 LEU MD1 . . 3.490 2.340 1.970 2.793 . 0 0 "[ . 1 . 2]" 2
644 1 35 MET H 1 35 MET HG2 . . 4.780 3.525 2.218 4.655 . 0 0 "[ . 1 . 2]" 2
645 1 35 MET HA 1 35 MET HG2 . . 4.000 3.198 2.377 4.217 0.217 13 0 "[ . 1 . 2]" 2
646 1 35 MET H 1 35 MET HG3 . . 4.780 3.858 1.902 4.722 . 0 0 "[ . 1 . 2]" 2
647 1 27 THR HB 1 28 CYS HB3 . . 4.310 3.809 3.695 3.893 . 0 0 "[ . 1 . 2]" 2
648 1 88 MET HA 1 88 MET QG . . 3.440 2.552 2.241 2.724 . 0 0 "[ . 1 . 2]" 2
649 1 81 THR MG 1 88 MET QG . . 4.170 3.527 3.022 3.948 . 0 0 "[ . 1 . 2]" 2
650 1 90 SER HA 1 91 VAL HB . . 5.160 4.791 4.611 5.018 . 0 0 "[ . 1 . 2]" 2
651 1 24 PHE QE 1 26 THR HA . . 3.930 3.258 2.728 3.756 . 0 0 "[ . 1 . 2]" 2
652 1 84 LEU MD1 1 88 MET QG . . 3.350 2.001 1.745 2.403 . 0 0 "[ . 1 . 2]" 2
653 1 70 LEU MD1 1 88 MET QG . . 4.080 2.359 1.882 3.755 . 0 0 "[ . 1 . 2]" 2
654 1 41 VAL H 1 41 VAL HB . . 3.590 2.591 2.497 2.662 . 0 0 "[ . 1 . 2]" 2
655 1 23 PHE HZ 1 41 VAL HB . . 4.970 4.721 2.525 4.985 0.015 6 0 "[ . 1 . 2]" 2
656 1 23 PHE QE 1 41 VAL HB . . 5.330 5.194 3.213 5.383 0.053 7 0 "[ . 1 . 2]" 2
657 1 40 ALA HA 1 41 VAL HB . . 4.930 4.606 4.532 4.752 . 0 0 "[ . 1 . 2]" 2
658 1 79 TYR QD 1 98 CYS HB2 . . 4.900 3.347 2.444 3.889 . 0 0 "[ . 1 . 2]" 2
659 1 96 TRP HH2 1 98 CYS HB2 . . 4.580 3.029 2.637 3.635 . 0 0 "[ . 1 . 2]" 2
660 1 79 TYR QE 1 98 CYS HB3 . . 4.180 3.089 2.486 3.836 . 0 0 "[ . 1 . 2]" 2
661 1 99 LYS HB3 1 99 LYS QE . . 5.070 3.693 2.367 4.498 . 0 0 "[ . 1 . 2]" 2
662 1 99 LYS HB2 1 99 LYS QE . . 5.070 3.690 2.170 4.480 . 0 0 "[ . 1 . 2]" 2
663 1 52 PRO HB3 1 53 GLU H . . 4.510 4.428 4.356 4.475 . 0 0 "[ . 1 . 2]" 2
664 1 9 ASN HA 1 16 PRO HB3 . . 4.870 4.603 3.827 4.883 0.013 18 0 "[ . 1 . 2]" 2
665 1 69 MET QG 1 70 LEU H . . 4.110 2.888 2.024 3.422 . 0 0 "[ . 1 . 2]" 2
666 1 69 MET H 1 69 MET QG . . 4.140 4.002 3.906 4.113 . 0 0 "[ . 1 . 2]" 2
667 1 69 MET QG 1 80 HIS HD2 . . 4.260 2.926 1.984 4.042 . 0 0 "[ . 1 . 2]" 2
668 1 69 MET HA 1 69 MET QG . . 3.590 2.502 2.173 2.716 . 0 0 "[ . 1 . 2]" 2
669 1 66 ASP HA 1 69 MET QG . . 4.190 4.088 3.554 4.261 0.071 15 0 "[ . 1 . 2]" 2
670 1 69 MET QG 1 78 GLY HA3 . . 4.590 3.284 2.696 3.777 . 0 0 "[ . 1 . 2]" 2
671 1 16 PRO HB2 1 19 LEU MD2 . . 5.140 3.806 2.799 5.135 . 0 0 "[ . 1 . 2]" 2
672 1 63 SER HB2 1 64 GLY H . . 4.440 3.606 2.478 4.520 0.080 15 0 "[ . 1 . 2]" 2
673 1 56 VAL HA 1 63 SER HB2 . . 4.410 3.893 2.694 4.405 . 0 0 "[ . 1 . 2]" 2
674 1 63 SER HB2 1 69 MET ME . . 4.920 4.385 3.516 4.927 0.007 8 0 "[ . 1 . 2]" 2
675 1 63 SER H 1 63 SER HB3 . . 3.770 2.606 2.204 3.325 . 0 0 "[ . 1 . 2]" 2
676 1 56 VAL HA 1 63 SER HB3 . . 4.410 4.035 2.670 4.475 0.065 3 0 "[ . 1 . 2]" 2
677 1 56 VAL MG1 1 63 SER HB3 . . 3.700 2.141 1.775 3.160 . 0 0 "[ . 1 . 2]" 2
678 1 10 CYS HB3 1 13 CYS H . . 4.290 2.455 2.208 2.838 . 0 0 "[ . 1 . 2]" 2
679 1 50 GLN HE21 1 54 CYS HB3 . . 3.840 2.880 1.887 3.471 . 0 0 "[ . 1 . 2]" 2
680 1 50 GLN HE21 1 54 CYS HB2 . . 4.230 3.018 2.567 3.688 . 0 0 "[ . 1 . 2]" 2
681 1 56 VAL HB 1 57 CYS HB3 . . 4.840 4.249 4.170 4.475 . 0 0 "[ . 1 . 2]" 2
682 1 57 CYS HB2 1 69 MET ME . . 4.110 2.516 2.280 2.656 . 0 0 "[ . 1 . 2]" 2
683 1 43 PRO HA 1 46 ARG HB3 . . 5.230 4.774 4.513 5.301 0.071 9 0 "[ . 1 . 2]" 2
684 1 72 CYS HB2 1 98 CYS HB3 . . 4.640 2.554 2.013 3.020 . 0 0 "[ . 1 . 2]" 2
685 1 72 CYS HB3 1 98 CYS H . . 4.650 4.474 3.999 4.697 0.047 2 0 "[ . 1 . 2]" 2
686 1 72 CYS HB3 1 98 CYS HB3 . . 4.640 4.032 3.458 4.491 . 0 0 "[ . 1 . 2]" 2
687 1 36 CYS HA 1 38 ASP H . . 4.380 4.159 3.906 4.380 . 0 0 "[ . 1 . 2]" 2
688 1 12 VAL HB 1 36 CYS HA . . 4.740 4.634 4.432 4.747 0.007 6 0 "[ . 1 . 2]" 2
689 1 12 VAL MG2 1 36 CYS HA . . 5.140 4.707 3.841 4.899 . 0 0 "[ . 1 . 2]" 2
690 1 84 LEU H 1 87 VAL HA . . 4.410 3.038 2.885 3.424 . 0 0 "[ . 1 . 2]" 2
691 1 85 GLN HA 1 87 VAL HA . . 4.690 4.105 3.980 4.195 . 0 0 "[ . 1 . 2]" 2
692 1 87 VAL HA 1 88 MET HA . . 5.130 4.354 4.325 4.379 . 0 0 "[ . 1 . 2]" 2
693 1 84 LEU HB2 1 87 VAL HA . . 3.910 2.115 1.974 2.400 . 0 0 "[ . 1 . 2]" 2
694 1 30 GLN HB2 1 30 GLN HE21 . . 4.590 3.774 3.471 4.223 . 0 0 "[ . 1 . 2]" 2
695 1 30 GLN HB3 1 32 TYR QE . . 4.060 2.350 1.999 2.966 . 0 0 "[ . 1 . 2]" 2
696 1 67 SER HB2 1 68 LYS H . . 4.760 2.862 2.146 3.743 . 0 0 "[ . 1 . 2]" 2
697 1 80 HIS H 1 83 CYS HB3 . . 4.410 3.795 3.519 4.165 . 0 0 "[ . 1 . 2]" 2
698 1 83 CYS H 1 83 CYS HB3 . . 3.930 3.602 3.527 3.706 . 0 0 "[ . 1 . 2]" 2
699 1 13 CYS HB2 1 14 ASP H . . 4.670 4.172 3.972 4.534 . 0 0 "[ . 1 . 2]" 2
700 1 60 CYS HB3 1 62 GLN QG . . 4.790 4.658 4.141 4.874 0.084 5 0 "[ . 1 . 2]" 2
701 1 80 HIS H 1 83 CYS HB2 . . 4.360 2.662 2.375 2.988 . 0 0 "[ . 1 . 2]" 2
702 1 85 GLN H 1 85 GLN HB2 . . 3.870 3.273 2.462 3.801 . 0 0 "[ . 1 . 2]" 2
703 1 25 CYS H 1 25 CYS HB3 . . 3.730 2.615 2.479 2.752 . 0 0 "[ . 1 . 2]" 2
704 1 25 CYS HB3 1 51 CYS HB3 . . 4.270 3.540 3.466 3.720 . 0 0 "[ . 1 . 2]" 2
705 1 25 CYS HB3 1 51 CYS H . . 4.450 4.124 3.796 4.407 . 0 0 "[ . 1 . 2]" 2
706 1 25 CYS H 1 25 CYS HB2 . . 3.840 2.478 2.328 2.754 . 0 0 "[ . 1 . 2]" 2
707 1 25 CYS HB2 1 49 TRP HE3 . . 4.780 3.813 3.456 4.069 . 0 0 "[ . 1 . 2]" 2
708 1 25 CYS HB2 1 32 TYR QE . . 4.550 3.685 3.219 4.099 . 0 0 "[ . 1 . 2]" 2
709 1 25 CYS HB2 1 51 CYS HB3 . . 4.050 2.025 1.967 2.195 . 0 0 "[ . 1 . 2]" 2
710 1 25 CYS HB2 1 32 TYR QD . . 4.780 4.311 3.856 4.737 . 0 0 "[ . 1 . 2]" 2
711 1 41 VAL HA 1 42 THR H . . 3.460 2.157 2.139 2.245 . 0 0 "[ . 1 . 2]" 2
712 1 23 PHE HZ 1 41 VAL HA . . 3.940 2.041 1.937 2.139 . 0 0 "[ . 1 . 2]" 2
713 1 23 PHE QE 1 41 VAL HA . . 4.400 3.214 2.404 3.458 . 0 0 "[ . 1 . 2]" 2
714 1 41 VAL HA 1 45 LYS HD2 . . 4.580 4.097 3.296 4.565 . 0 0 "[ . 1 . 2]" 2
715 1 25 CYS HB2 1 49 TRP HZ3 . . 4.540 2.683 2.177 3.044 . 0 0 "[ . 1 . 2]" 2
716 1 97 LYS QD 1 101 CYS HA . . 5.430 4.815 4.184 5.498 0.068 4 0 "[ . 1 . 2]" 2
717 1 74 THR MG 1 101 CYS HA . . 4.420 3.984 3.678 4.306 . 0 0 "[ . 1 . 2]" 2
718 1 93 THR HA 1 93 THR MG . . 3.260 2.461 2.169 3.203 . 0 0 "[ . 1 . 2]" 2
719 1 80 HIS HB2 1 83 CYS H . . 4.260 2.798 2.397 3.399 . 0 0 "[ . 1 . 2]" 2
720 1 99 LYS HA 1 102 ARG QB . . 4.350 2.510 2.035 3.552 . 0 0 "[ . 1 . 2]" 2
721 1 45 LYS HA 1 45 LYS HD2 . . 4.600 4.509 4.417 4.642 0.042 12 0 "[ . 1 . 2]" 2
722 1 39 ILE MG 1 45 LYS HD2 . . 4.190 2.751 2.264 3.150 . 0 0 "[ . 1 . 2]" 2
723 1 98 CYS H 1 101 CYS HB2 . . 4.750 2.993 2.523 3.320 . 0 0 "[ . 1 . 2]" 2
724 1 98 CYS H 1 101 CYS HB3 . . 4.750 4.282 3.784 4.619 . 0 0 "[ . 1 . 2]" 2
725 1 23 PHE HZ 1 45 LYS HD3 . . 4.600 4.490 4.145 4.645 0.045 15 0 "[ . 1 . 2]" 2
726 1 23 PHE HZ 1 45 LYS HD2 . . 4.740 3.275 2.577 4.128 . 0 0 "[ . 1 . 2]" 2
727 1 32 TYR QE 1 51 CYS HB2 . . 4.040 2.883 2.575 3.232 . 0 0 "[ . 1 . 2]" 2
728 1 49 TRP HH2 1 51 CYS HB2 . . 4.810 2.888 2.288 3.680 . 0 0 "[ . 1 . 2]" 2
729 1 32 TYR QE 1 51 CYS HB3 . . 4.080 3.051 2.721 3.355 . 0 0 "[ . 1 . 2]" 2
730 1 49 TRP HZ3 1 51 CYS HB3 . . 4.630 2.952 2.555 3.277 . 0 0 "[ . 1 . 2]" 2
731 1 51 CYS HB3 1 52 PRO HD2 . . 4.490 3.527 3.480 3.567 . 0 0 "[ . 1 . 2]" 2
732 1 103 ILE HA 1 103 ILE HG12 . . 3.710 3.291 3.095 3.476 . 0 0 "[ . 1 . 2]" 2
733 1 103 ILE HA 1 103 ILE HG13 . . 3.710 3.060 2.134 3.690 . 0 0 "[ . 1 . 2]" 2
734 1 103 ILE HA 1 103 ILE MG . . 3.130 2.463 2.326 2.539 . 0 0 "[ . 1 . 2]" 2
735 1 105 ILE HA 1 105 ILE HG12 . . 3.940 3.298 2.611 3.889 . 0 0 "[ . 1 . 2]" 2
736 1 105 ILE HA 1 105 ILE HG13 . . 3.940 2.778 2.213 3.723 . 0 0 "[ . 1 . 2]" 2
737 1 105 ILE HA 1 105 ILE MG . . 3.310 2.907 2.303 3.202 . 0 0 "[ . 1 . 2]" 2
738 1 48 GLY QA 1 49 TRP HA . . 4.690 4.119 4.050 4.281 . 0 0 "[ . 1 . 2]" 2
739 1 27 THR MG 1 54 CYS HA . . 4.130 3.838 3.601 4.093 . 0 0 "[ . 1 . 2]" 2
740 1 49 TRP HA 1 49 TRP HD1 . . 3.870 2.974 2.694 3.280 . 0 0 "[ . 1 . 2]" 2
741 1 68 LYS QD 1 82 PHE QE . . 4.060 2.762 1.902 3.753 . 0 0 "[ . 1 . 2]" 2
742 1 68 LYS QD 1 82 PHE QD . . 4.200 3.372 2.406 4.094 . 0 0 "[ . 1 . 2]" 2
743 1 68 LYS HA 1 68 LYS QD . . 4.330 3.826 2.398 4.196 . 0 0 "[ . 1 . 2]" 2
744 1 12 VAL HB 1 36 CYS HB2 . . 4.380 3.605 3.163 4.421 0.041 13 0 "[ . 1 . 2]" 2
745 1 89 LYS HA 1 89 LYS QD . . 4.100 2.597 1.958 3.976 . 0 0 "[ . 1 . 2]" 2
746 1 46 ARG HA 1 49 TRP HB3 . . 4.290 4.085 3.427 4.317 0.027 5 0 "[ . 1 . 2]" 2
747 1 65 GLU HB2 1 82 PHE QE . . 4.470 3.493 2.903 4.286 . 0 0 "[ . 1 . 2]" 2
748 1 65 GLU HB3 1 82 PHE QE . . 4.470 3.682 2.770 4.501 0.031 19 0 "[ . 1 . 2]" 2
749 1 65 GLU HB3 1 82 PHE HZ . . 5.050 4.331 3.151 5.062 0.012 10 0 "[ . 1 . 2]" 2
750 1 46 ARG H 1 46 ARG HG3 . . 4.590 2.204 1.957 2.456 . 0 0 "[ . 1 . 2]" 2
751 1 39 ILE HA 1 40 ALA MB . . 4.180 3.935 3.868 3.995 . 0 0 "[ . 1 . 2]" 2
752 1 39 ILE HA 1 39 ILE HG13 . . 4.040 2.987 2.854 3.140 . 0 0 "[ . 1 . 2]" 2
753 1 61 LYS HA 1 61 LYS HD2 . . 3.680 2.941 1.983 3.702 0.022 1 0 "[ . 1 . 2]" 2
754 1 56 VAL MG2 1 61 LYS HD2 . . 4.810 3.668 2.577 4.667 . 0 0 "[ . 1 . 2]" 2
755 1 56 VAL MG2 1 61 LYS HD3 . . 4.810 3.927 2.838 4.828 0.018 6 0 "[ . 1 . 2]" 2
756 1 70 LEU MD2 1 91 VAL HA . . 4.840 2.756 2.052 3.321 . 0 0 "[ . 1 . 2]" 2
757 1 96 TRP HA 1 96 TRP HD1 . . 3.900 2.884 2.684 3.048 . 0 0 "[ . 1 . 2]" 2
758 1 37 LEU MD1 1 52 PRO HG2 . . 5.130 4.039 3.047 5.141 0.011 7 0 "[ . 1 . 2]" 2
759 1 104 CYS H 1 104 CYS QB . . 3.540 2.457 2.183 3.272 . 0 0 "[ . 1 . 2]" 2
760 1 103 ILE HA 1 104 CYS QB . . 4.510 4.229 3.995 4.444 . 0 0 "[ . 1 . 2]" 2
761 1 103 ILE MG 1 104 CYS QB . . 4.120 3.754 2.605 4.138 0.018 15 0 "[ . 1 . 2]" 2
762 1 43 PRO HG2 1 44 LEU HA . . 4.920 4.588 4.448 4.619 . 0 0 "[ . 1 . 2]" 2
763 1 91 VAL HA 1 92 PRO HG2 . . 5.180 4.244 4.151 4.341 . 0 0 "[ . 1 . 2]" 2
764 1 92 PRO HG3 1 96 TRP HD1 . . 4.360 2.293 1.993 3.227 . 0 0 "[ . 1 . 2]" 2
765 1 92 PRO HG2 1 96 TRP HD1 . . 4.360 3.503 2.378 4.125 . 0 0 "[ . 1 . 2]" 2
766 1 92 PRO HG2 1 96 TRP QB . . 4.280 2.301 1.981 3.137 . 0 0 "[ . 1 . 2]" 2
767 1 91 VAL HA 1 92 PRO HG3 . . 5.180 4.331 4.316 4.363 . 0 0 "[ . 1 . 2]" 2
768 1 92 PRO HG3 1 96 TRP QB . . 4.280 2.721 1.988 4.070 . 0 0 "[ . 1 . 2]" 2
769 1 67 SER HA 1 69 MET H . . 4.580 4.318 3.614 4.595 0.015 16 0 "[ . 1 . 2]" 2
770 1 44 LEU H 1 44 LEU HG . . 4.760 4.485 4.223 4.760 . 0 0 "[ . 1 . 2]" 2
771 1 44 LEU HG 1 75 CYS HA . . 4.260 3.728 3.252 4.325 0.065 7 0 "[ . 1 . 2]" 2
772 1 44 LEU HG 1 75 CYS HB2 . . 4.970 4.709 4.119 4.967 . 0 0 "[ . 1 . 2]" 2
773 1 44 LEU HG 1 75 CYS HB3 . . 4.970 4.500 3.846 4.960 . 0 0 "[ . 1 . 2]" 2
774 1 99 LYS HA 1 102 ARG QD . . 3.690 2.758 2.209 3.502 . 0 0 "[ . 1 . 2]" 2
775 1 99 LYS HA 1 102 ARG HG3 . . 4.440 3.278 1.982 4.196 . 0 0 "[ . 1 . 2]" 2
776 1 99 LYS HA 1 99 LYS QG . . 3.570 2.561 2.416 2.990 . 0 0 "[ . 1 . 2]" 2
777 1 20 LEU H 1 20 LEU HG . . 3.990 3.199 2.230 4.018 0.028 19 0 "[ . 1 . 2]" 2
778 1 105 ILE HG12 1 105 ILE MG . . 3.700 2.343 1.997 3.195 . 0 0 "[ . 1 . 2]" 2
779 1 16 PRO HG2 1 17 GLY H . . 4.360 2.058 1.866 3.075 . 0 0 "[ . 1 . 2]" 2
780 1 15 SER HA 1 16 PRO HG2 . . 4.700 4.377 4.163 4.481 . 0 0 "[ . 1 . 2]" 2
781 1 16 PRO HG3 1 17 GLY H . . 4.360 3.649 3.503 4.411 0.051 9 0 "[ . 1 . 2]" 2
782 1 19 LEU HA 1 19 LEU HG . . 4.220 3.300 2.381 3.784 . 0 0 "[ . 1 . 2]" 2
783 1 19 LEU H 1 19 LEU HG . . 4.240 3.786 2.424 4.260 0.020 20 0 "[ . 1 . 2]" 2
784 1 77 LYS H 1 77 LYS HG3 . . 4.180 3.691 3.011 4.290 0.110 14 0 "[ . 1 . 2]" 2
785 1 103 ILE HA 1 104 CYS HA . . 4.490 4.368 4.315 4.405 . 0 0 "[ . 1 . 2]" 2
786 1 103 ILE MG 1 104 CYS HA . . 4.080 3.810 3.521 4.019 . 0 0 "[ . 1 . 2]" 2
787 1 23 PHE QE 1 46 ARG HA . . 4.160 2.977 2.037 4.018 . 0 0 "[ . 1 . 2]" 2
788 1 23 PHE QD 1 46 ARG HA . . 3.980 2.512 2.113 3.733 . 0 0 "[ . 1 . 2]" 2
789 1 46 ARG HA 1 49 TRP HB2 . . 3.740 3.118 2.759 3.425 . 0 0 "[ . 1 . 2]" 2
790 1 46 ARG HA 1 46 ARG HG2 . . 4.060 2.550 2.311 2.749 . 0 0 "[ . 1 . 2]" 2
791 1 46 ARG HA 1 46 ARG HG3 . . 4.060 2.913 2.701 3.174 . 0 0 "[ . 1 . 2]" 2
792 1 102 ARG HA 1 102 ARG HG2 . . 4.130 3.577 2.500 4.217 0.087 1 0 "[ . 1 . 2]" 2
793 1 99 LYS HA 1 102 ARG HG2 . . 4.440 2.548 1.981 3.810 . 0 0 "[ . 1 . 2]" 2
794 1 102 ARG HA 1 102 ARG HG3 . . 4.130 3.499 3.319 3.625 . 0 0 "[ . 1 . 2]" 2
795 1 84 LEU MD1 1 96 TRP HZ2 . . 3.800 2.171 1.858 2.936 . 0 0 "[ . 1 . 2]" 2
796 1 84 LEU H 1 84 LEU MD1 . . 4.360 3.777 3.197 4.139 . 0 0 "[ . 1 . 2]" 2
797 1 81 THR HB 1 84 LEU MD1 . . 4.770 4.177 3.758 4.745 . 0 0 "[ . 1 . 2]" 2
798 1 84 LEU MD1 1 88 MET HB3 . . 4.210 3.762 3.244 4.190 . 0 0 "[ . 1 . 2]" 2
799 1 84 LEU HB3 1 84 LEU MD1 . . 3.620 2.459 2.273 2.667 . 0 0 "[ . 1 . 2]" 2
800 1 70 LEU H 1 70 LEU HG . . 3.940 2.813 2.311 3.246 . 0 0 "[ . 1 . 2]" 2
801 1 69 MET HA 1 70 LEU HG . . 4.670 4.198 3.522 4.675 0.005 6 0 "[ . 1 . 2]" 2
802 1 32 TYR QD 1 37 LEU HG . . 5.130 3.178 2.399 4.676 . 0 0 "[ . 1 . 2]" 2
803 1 45 LYS H 1 45 LYS HG3 . . 4.620 2.996 2.007 4.350 . 0 0 "[ . 1 . 2]" 2
804 1 45 LYS H 1 45 LYS HG2 . . 4.620 3.997 3.376 4.625 0.005 9 0 "[ . 1 . 2]" 2
805 1 37 LEU H 1 37 LEU MD1 . . 4.540 3.828 2.537 4.255 . 0 0 "[ . 1 . 2]" 2
806 1 32 TYR QD 1 37 LEU MD1 . . 3.700 2.513 1.954 3.269 . 0 0 "[ . 1 . 2]" 2
807 1 37 LEU HA 1 37 LEU MD1 . . 4.150 3.583 2.273 3.851 . 0 0 "[ . 1 . 2]" 2
808 1 37 LEU MD1 1 52 PRO HD2 . . 5.220 3.485 3.005 4.935 . 0 0 "[ . 1 . 2]" 2
809 1 32 TYR HB3 1 37 LEU MD1 . . 4.100 1.991 1.769 3.138 . 0 0 "[ . 1 . 2]" 2
810 1 32 TYR HB2 1 37 LEU MD1 . . 5.070 2.509 1.970 3.963 . 0 0 "[ . 1 . 2]" 2
811 1 35 MET HA 1 38 ASP H . . 3.700 2.998 2.884 3.204 . 0 0 "[ . 1 . 2]" 2
812 1 35 MET HA 1 35 MET HG3 . . 4.000 3.259 2.243 3.795 . 0 0 "[ . 1 . 2]" 2
813 1 53 GLU HA 1 53 GLU HG2 . . 3.970 2.704 2.393 2.907 . 0 0 "[ . 1 . 2]" 2
814 1 53 GLU HA 1 53 GLU HG3 . . 3.970 3.642 3.204 3.867 . 0 0 "[ . 1 . 2]" 2
815 1 39 ILE HA 1 39 ILE HG12 . . 4.040 2.592 2.441 2.701 . 0 0 "[ . 1 . 2]" 2
816 1 37 LEU HB2 1 39 ILE HG12 . . 5.500 4.430 4.083 4.794 . 0 0 "[ . 1 . 2]" 2
817 1 37 LEU HB3 1 39 ILE HG12 . . 5.500 3.435 3.123 3.542 . 0 0 "[ . 1 . 2]" 2
818 1 37 LEU HB2 1 39 ILE HG13 . . 5.500 2.824 2.447 3.163 . 0 0 "[ . 1 . 2]" 2
819 1 10 CYS HA 1 12 VAL H . . 4.670 3.574 3.444 3.824 . 0 0 "[ . 1 . 2]" 2
820 1 10 CYS HA 1 11 ALA H . . 3.080 2.176 2.139 2.277 . 0 0 "[ . 1 . 2]" 2
821 1 10 CYS HA 1 11 ALA MB . . 4.000 3.938 3.871 3.997 . 0 0 "[ . 1 . 2]" 2
822 1 50 GLN HB2 1 55 LYS HA . . 4.590 4.095 3.379 4.605 0.015 15 0 "[ . 1 . 2]" 2
823 1 55 LYS HA 1 55 LYS HG2 . . 4.240 3.564 3.049 3.881 . 0 0 "[ . 1 . 2]" 2
824 1 55 LYS HA 1 55 LYS HG3 . . 4.240 3.234 2.677 3.682 . 0 0 "[ . 1 . 2]" 2
825 1 55 LYS HA 1 56 VAL MG1 . . 4.550 3.533 3.393 3.738 . 0 0 "[ . 1 . 2]" 2
826 1 23 PHE HA 1 24 PHE H . . 3.100 2.391 2.196 2.574 . 0 0 "[ . 1 . 2]" 2
827 1 23 PHE HA 1 23 PHE QD . . 3.610 3.051 2.764 3.195 . 0 0 "[ . 1 . 2]" 2
828 1 45 LYS HA 1 75 CYS HA . . 4.220 3.836 2.810 4.269 0.049 7 0 "[ . 1 . 2]" 2
829 1 45 LYS HA 1 45 LYS HG3 . . 3.740 2.706 2.243 3.041 . 0 0 "[ . 1 . 2]" 2
830 1 45 LYS HA 1 45 LYS HG2 . . 3.740 2.646 2.412 2.931 . 0 0 "[ . 1 . 2]" 2
831 1 102 ARG HA 1 103 ILE MD . . 5.500 5.093 4.744 5.474 . 0 0 "[ . 1 . 2]" 2
832 1 102 ARG HA 1 103 ILE HB . . 5.500 5.502 5.442 5.549 0.049 18 0 "[ . 1 . 2]" 2
833 1 97 LYS QD 1 102 ARG HA . . 3.330 2.759 2.034 3.350 0.020 16 0 "[ . 1 . 2]" 2
834 1 79 TYR QE 1 98 CYS HA . . 5.500 5.086 4.595 5.507 0.007 20 0 "[ . 1 . 2]" 2
835 1 70 LEU H 1 70 LEU MD1 . . 4.530 3.459 2.334 3.879 . 0 0 "[ . 1 . 2]" 2
836 1 70 LEU MD1 1 96 TRP HZ2 . . 5.500 3.074 2.053 3.914 . 0 0 "[ . 1 . 2]" 2
837 1 70 LEU MD1 1 91 VAL HA . . 4.840 3.865 3.287 4.821 . 0 0 "[ . 1 . 2]" 2
838 1 70 LEU MD1 1 92 PRO HD2 . . 4.460 3.601 2.965 4.416 . 0 0 "[ . 1 . 2]" 2
839 1 70 LEU MD1 1 84 LEU MD1 . . 4.180 1.891 1.740 2.196 . 0 0 "[ . 1 . 2]" 2
840 1 77 LYS HA 1 77 LYS HG2 . . 3.950 2.561 2.231 3.627 . 0 0 "[ . 1 . 2]" 2
841 1 89 LYS HA 1 89 LYS HG2 . . 4.010 3.161 2.580 3.647 . 0 0 "[ . 1 . 2]" 2
842 1 57 CYS HA 1 58 GLN H . . 3.110 2.230 2.139 2.311 . 0 0 "[ . 1 . 2]" 2
843 1 57 CYS HA 1 79 TYR HA . . 3.700 3.178 2.889 3.450 . 0 0 "[ . 1 . 2]" 2
844 1 57 CYS HA 1 58 GLN HG2 . . 4.980 3.905 3.492 4.380 . 0 0 "[ . 1 . 2]" 2
845 1 96 TRP HZ2 1 98 CYS HA . . 3.930 3.253 2.484 3.783 . 0 0 "[ . 1 . 2]" 2
846 1 96 TRP HZ3 1 98 CYS HA . . 4.730 4.190 3.422 4.747 0.017 3 0 "[ . 1 . 2]" 2
847 1 96 TRP HH2 1 98 CYS HA . . 3.950 3.202 2.577 3.940 . 0 0 "[ . 1 . 2]" 2
848 1 98 CYS HA 1 99 LYS HA . . 4.490 4.303 4.293 4.312 . 0 0 "[ . 1 . 2]" 2
849 1 44 LEU MD1 1 75 CYS HB3 . . 5.280 3.938 2.001 5.002 . 0 0 "[ . 1 . 2]" 2
850 1 77 LYS HA 1 78 GLY HA3 . . 5.500 4.469 4.380 4.550 . 0 0 "[ . 1 . 2]" 2
851 1 77 LYS HA 1 77 LYS HD3 . . 4.790 3.293 2.147 4.544 . 0 0 "[ . 1 . 2]" 2
852 1 77 LYS HA 1 77 LYS HG3 . . 3.950 3.386 2.532 3.752 . 0 0 "[ . 1 . 2]" 2
853 1 44 LEU HA 1 44 LEU HG . . 3.730 2.985 2.377 3.740 0.010 20 0 "[ . 1 . 2]" 2
854 1 44 LEU HA 1 44 LEU MD1 . . 4.010 2.678 2.045 3.830 . 0 0 "[ . 1 . 2]" 2
855 1 89 LYS HA 1 89 LYS HG3 . . 4.010 3.147 2.200 3.825 . 0 0 "[ . 1 . 2]" 2
856 1 44 LEU MD1 1 75 CYS HB2 . . 5.280 4.340 2.706 5.308 0.028 6 0 "[ . 1 . 2]" 2
857 1 19 LEU HA 1 22 GLN QE . . 4.700 2.686 1.868 4.495 . 0 0 "[ . 1 . 2]" 2
858 1 19 LEU HA 1 22 GLN HG3 . . 4.050 3.001 2.064 3.546 . 0 0 "[ . 1 . 2]" 2
859 1 20 LEU H 1 20 LEU MD1 . . 4.040 3.319 2.061 4.161 0.121 19 0 "[ . 1 . 2]" 2
860 1 19 LEU HA 1 19 LEU MD1 . . 3.930 2.598 1.959 3.895 . 0 0 "[ . 1 . 2]" 2
861 1 65 GLU HA 1 65 GLU QG . . 3.220 2.647 2.264 3.333 0.113 19 0 "[ . 1 . 2]" 2
862 1 61 LYS H 1 61 LYS HG2 . . 4.630 2.985 2.445 4.648 0.018 1 0 "[ . 1 . 2]" 2
863 1 19 LEU H 1 19 LEU MD1 . . 4.470 3.618 2.022 4.085 . 0 0 "[ . 1 . 2]" 2
864 1 61 LYS HA 1 61 LYS HD3 . . 3.680 2.880 2.147 3.727 0.047 12 0 "[ . 1 . 2]" 2
865 1 61 LYS HA 1 61 LYS HG2 . . 4.070 2.969 2.722 3.684 . 0 0 "[ . 1 . 2]" 2
866 1 61 LYS HA 1 61 LYS HG3 . . 4.070 3.583 2.341 3.841 . 0 0 "[ . 1 . 2]" 2
867 1 58 GLN HA 1 58 GLN HG2 . . 4.130 2.895 2.542 3.441 . 0 0 "[ . 1 . 2]" 2
868 1 58 GLN HA 1 58 GLN HE21 . . 4.340 3.206 1.958 4.038 . 0 0 "[ . 1 . 2]" 2
869 1 58 GLN HA 1 58 GLN HE22 . . 4.340 3.721 3.043 4.141 . 0 0 "[ . 1 . 2]" 2
870 1 58 GLN HA 1 61 LYS HD2 . . 4.550 3.442 2.134 4.540 . 0 0 "[ . 1 . 2]" 2
871 1 58 GLN HA 1 61 LYS HD3 . . 4.550 2.553 1.987 4.188 . 0 0 "[ . 1 . 2]" 2
872 1 56 VAL MG2 1 58 GLN HA . . 4.350 3.971 3.599 4.276 . 0 0 "[ . 1 . 2]" 2
873 1 49 TRP HZ2 1 51 CYS HA . . 4.080 2.874 2.388 3.901 . 0 0 "[ . 1 . 2]" 2
874 1 49 TRP HH2 1 51 CYS HA . . 3.940 2.710 2.341 3.226 . 0 0 "[ . 1 . 2]" 2
875 1 51 CYS HA 1 52 PRO HD2 . . 3.530 2.451 2.424 2.482 . 0 0 "[ . 1 . 2]" 2
876 1 66 ASP HA 1 69 MET HB2 . . 4.150 2.936 2.206 3.433 . 0 0 "[ . 1 . 2]" 2
877 1 66 ASP HA 1 69 MET HB3 . . 4.150 2.596 2.240 3.003 . 0 0 "[ . 1 . 2]" 2
878 1 66 ASP HA 1 69 MET H . . 4.510 3.712 3.311 4.487 . 0 0 "[ . 1 . 2]" 2
879 1 20 LEU HA 1 22 GLN H . . 4.620 4.346 3.719 4.624 0.004 2 0 "[ . 1 . 2]" 2
880 1 20 LEU HA 1 20 LEU HG . . 3.690 2.944 2.357 3.727 0.037 3 0 "[ . 1 . 2]" 2
881 1 20 LEU HA 1 20 LEU MD1 . . 3.900 3.194 1.968 3.901 0.001 11 0 "[ . 1 . 2]" 2
882 1 70 LEU HA 1 70 LEU MD2 . . 4.230 2.385 1.951 3.403 . 0 0 "[ . 1 . 2]" 2
883 1 70 LEU MD2 1 92 PRO HD2 . . 4.460 2.088 1.789 2.646 . 0 0 "[ . 1 . 2]" 2
884 1 70 LEU MD2 1 96 TRP QB . . 4.810 3.132 2.278 3.881 . 0 0 "[ . 1 . 2]" 2
885 1 70 LEU MD2 1 88 MET QG . . 4.080 3.888 3.416 4.196 0.116 5 0 "[ . 1 . 2]" 2
886 1 70 LEU MD2 1 81 THR MG . . 3.460 3.014 2.088 3.463 0.003 8 0 "[ . 1 . 2]" 2
887 1 70 LEU MD2 1 91 VAL MG2 . . 4.500 2.462 1.870 3.281 . 0 0 "[ . 1 . 2]" 2
888 1 70 LEU MD2 1 84 LEU MD1 . . 4.180 3.957 3.181 4.199 0.019 20 0 "[ . 1 . 2]" 2
889 1 70 LEU MD2 1 96 TRP HD1 . . 5.020 3.814 2.409 4.833 . 0 0 "[ . 1 . 2]" 2
890 1 70 LEU MD2 1 92 PRO HD3 . . 4.460 3.002 2.500 3.755 . 0 0 "[ . 1 . 2]" 2
891 1 44 LEU H 1 44 LEU MD2 . . 4.440 4.198 3.797 4.402 . 0 0 "[ . 1 . 2]" 2
892 1 44 LEU HA 1 44 LEU MD2 . . 4.010 3.420 1.941 3.986 . 0 0 "[ . 1 . 2]" 2
893 1 19 LEU H 1 19 LEU MD2 . . 4.470 2.896 1.950 4.376 . 0 0 "[ . 1 . 2]" 2
894 1 19 LEU HA 1 19 LEU MD2 . . 3.930 2.695 2.092 3.809 . 0 0 "[ . 1 . 2]" 2
895 1 59 ASN HD21 1 84 LEU MD2 . . 4.610 4.027 3.105 4.635 0.025 3 0 "[ . 1 . 2]" 2
896 1 84 LEU MD2 1 96 TRP HZ2 . . 3.310 2.385 1.955 3.283 . 0 0 "[ . 1 . 2]" 2
897 1 84 LEU H 1 84 LEU MD2 . . 3.910 3.861 3.671 3.991 0.081 6 0 "[ . 1 . 2]" 2
898 1 84 LEU MD2 1 96 TRP HH2 . . 3.820 2.858 2.066 3.513 . 0 0 "[ . 1 . 2]" 2
899 1 84 LEU HA 1 84 LEU MD2 . . 3.080 2.133 1.947 2.450 . 0 0 "[ . 1 . 2]" 2
900 1 79 TYR HB2 1 84 LEU MD2 . . 3.660 2.652 2.101 3.458 . 0 0 "[ . 1 . 2]" 2
901 1 79 TYR HB3 1 84 LEU MD2 . . 3.660 2.195 1.966 2.610 . 0 0 "[ . 1 . 2]" 2
902 1 84 LEU HB3 1 84 LEU MD2 . . 3.410 2.274 2.082 2.361 . 0 0 "[ . 1 . 2]" 2
903 1 37 LEU H 1 38 ASP HA . . 4.530 4.361 4.111 4.485 . 0 0 "[ . 1 . 2]" 2
904 1 68 LYS HA 1 68 LYS HG3 . . 3.870 3.148 2.660 3.840 . 0 0 "[ . 1 . 2]" 2
905 1 68 LYS HA 1 68 LYS HG2 . . 3.870 2.583 2.290 2.848 . 0 0 "[ . 1 . 2]" 2
906 1 68 LYS HA 1 81 THR MG . . 3.920 3.355 2.908 3.909 . 0 0 "[ . 1 . 2]" 2
907 1 69 MET HA 1 70 LEU H . . 3.210 2.166 2.141 2.251 . 0 0 "[ . 1 . 2]" 2
908 1 20 LEU H 1 20 LEU MD2 . . 4.040 3.513 1.885 4.150 0.110 19 0 "[ . 1 . 2]" 2
909 1 20 LEU HA 1 20 LEU MD2 . . 3.900 2.685 1.989 3.929 0.029 19 0 "[ . 1 . 2]" 2
910 1 20 LEU HB2 1 20 LEU MD2 . . 3.510 2.821 2.279 3.187 . 0 0 "[ . 1 . 2]" 2
911 1 20 LEU HB3 1 20 LEU MD2 . . 3.510 2.411 2.055 3.193 . 0 0 "[ . 1 . 2]" 2
912 1 81 THR H 1 81 THR MG . . 3.150 2.455 2.154 3.066 . 0 0 "[ . 1 . 2]" 2
913 1 81 THR MG 1 88 MET HA . . 5.150 4.635 4.286 4.981 . 0 0 "[ . 1 . 2]" 2
914 1 81 THR MG 1 90 SER HA . . 5.400 4.201 3.579 4.828 . 0 0 "[ . 1 . 2]" 2
915 1 81 THR MG 1 91 VAL HA . . 4.340 3.712 3.071 4.383 0.043 12 0 "[ . 1 . 2]" 2
916 1 81 THR HA 1 81 THR MG . . 3.150 2.255 2.146 2.365 . 0 0 "[ . 1 . 2]" 2
917 1 81 THR MG 1 88 MET HB3 . . 3.640 2.763 2.210 3.287 . 0 0 "[ . 1 . 2]" 2
918 1 81 THR MG 1 88 MET HB2 . . 3.680 2.330 1.973 2.726 . 0 0 "[ . 1 . 2]" 2
919 1 81 THR MG 1 84 LEU MD1 . . 4.090 3.299 2.992 3.786 . 0 0 "[ . 1 . 2]" 2
920 1 70 LEU MD1 1 81 THR MG . . 3.460 2.066 1.750 2.647 . 0 0 "[ . 1 . 2]" 2
921 1 27 THR HA 1 27 THR MG . . 3.010 2.363 2.293 2.438 . 0 0 "[ . 1 . 2]" 2
922 1 27 THR MG 1 54 CYS HB3 . . 3.580 2.627 2.300 2.815 . 0 0 "[ . 1 . 2]" 2
923 1 27 THR MG 1 28 CYS HB3 . . 4.130 3.368 3.078 3.588 . 0 0 "[ . 1 . 2]" 2
924 1 37 LEU MD2 1 38 ASP H . . 5.500 4.786 3.967 5.388 . 0 0 "[ . 1 . 2]" 2
925 1 37 LEU H 1 37 LEU MD2 . . 4.540 4.056 2.417 4.525 . 0 0 "[ . 1 . 2]" 2
926 1 32 TYR QD 1 37 LEU MD2 . . 3.700 3.380 1.994 3.706 0.006 1 0 "[ . 1 . 2]" 2
927 1 32 TYR QE 1 37 LEU MD2 . . 5.050 4.258 3.799 4.654 . 0 0 "[ . 1 . 2]" 2
928 1 37 LEU HA 1 37 LEU MD2 . . 4.150 2.321 1.955 3.780 . 0 0 "[ . 1 . 2]" 2
929 1 37 LEU MD2 1 52 PRO HD2 . . 5.220 3.996 3.133 5.005 . 0 0 "[ . 1 . 2]" 2
930 1 37 LEU MD2 1 52 PRO HD3 . . 5.220 3.718 2.273 5.031 . 0 0 "[ . 1 . 2]" 2
931 1 32 TYR HB3 1 37 LEU MD2 . . 4.100 3.604 1.945 4.081 . 0 0 "[ . 1 . 2]" 2
932 1 32 TYR HB2 1 37 LEU MD2 . . 5.070 4.423 2.620 5.086 0.016 18 0 "[ . 1 . 2]" 2
933 1 37 LEU MD2 1 52 PRO HG2 . . 5.130 3.633 3.134 5.139 0.009 2 0 "[ . 1 . 2]" 2
934 1 37 LEU MD2 1 52 PRO HG3 . . 5.130 2.609 2.012 4.422 . 0 0 "[ . 1 . 2]" 2
935 1 74 THR MG 1 75 CYS H . . 4.100 2.983 2.624 3.596 . 0 0 "[ . 1 . 2]" 2
936 1 70 LEU HA 1 70 LEU MD1 . . 4.230 3.858 3.463 3.975 . 0 0 "[ . 1 . 2]" 2
937 1 70 LEU HA 1 70 LEU HG . . 3.970 2.788 2.409 3.106 . 0 0 "[ . 1 . 2]" 2
938 1 26 THR MG 1 48 GLY H . . 4.860 4.532 3.980 4.872 0.012 9 0 "[ . 1 . 2]" 2
939 1 26 THR H 1 26 THR MG . . 3.190 2.736 2.556 2.910 . 0 0 "[ . 1 . 2]" 2
940 1 24 PHE QE 1 26 THR MG . . 3.840 3.196 2.240 3.845 0.005 16 0 "[ . 1 . 2]" 2
941 1 24 PHE QD 1 26 THR MG . . 3.960 3.484 3.085 3.984 0.024 16 0 "[ . 1 . 2]" 2
942 1 25 CYS HA 1 26 THR MG . . 4.180 3.656 3.425 3.827 . 0 0 "[ . 1 . 2]" 2
943 1 26 THR HA 1 26 THR MG . . 2.950 2.275 2.161 2.426 . 0 0 "[ . 1 . 2]" 2
944 1 84 LEU HA 1 85 GLN HA . . 4.430 4.417 4.397 4.473 0.043 10 0 "[ . 1 . 2]" 2
945 1 42 THR MG 1 43 PRO QD . . 3.600 3.084 2.597 3.738 0.138 12 0 "[ . 1 . 2]" 2
946 1 41 VAL HA 1 42 THR MG . . 4.180 3.884 3.292 4.194 0.014 9 0 "[ . 1 . 2]" 2
947 1 12 VAL H 1 12 VAL MG1 . . 3.830 3.773 3.250 3.889 0.059 4 0 "[ . 1 . 2]" 2
948 1 12 VAL MG1 1 32 TYR QD . . 4.390 4.223 2.720 4.473 0.083 6 0 "[ . 1 . 2]" 2
949 1 12 VAL HA 1 12 VAL MG1 . . 3.180 2.357 2.160 2.501 . 0 0 "[ . 1 . 2]" 2
950 1 12 VAL MG1 1 36 CYS HB2 . . 4.440 3.832 3.529 4.448 0.008 13 0 "[ . 1 . 2]" 2
951 1 12 VAL MG1 1 36 CYS HB3 . . 3.530 2.379 1.949 3.506 . 0 0 "[ . 1 . 2]" 2
952 1 71 VAL MG1 1 72 CYS H . . 4.210 2.882 2.184 3.295 . 0 0 "[ . 1 . 2]" 2
953 1 71 VAL MG1 1 78 GLY HA2 . . 4.500 4.141 3.774 4.509 0.009 19 0 "[ . 1 . 2]" 2
954 1 71 VAL HA 1 71 VAL MG1 . . 3.310 2.370 2.226 2.487 . 0 0 "[ . 1 . 2]" 2
955 1 50 GLN HE21 1 56 VAL MG1 . . 5.060 4.919 4.036 5.098 0.038 8 0 "[ . 1 . 2]" 2
956 1 50 GLN HE22 1 56 VAL MG1 . . 4.370 4.106 3.566 4.410 0.040 19 0 "[ . 1 . 2]" 2
957 1 87 VAL H 1 87 VAL MG2 . . 3.620 2.709 1.828 3.582 . 0 0 "[ . 1 . 2]" 2
958 1 87 VAL MG2 1 88 MET H . . 4.350 3.326 2.205 3.958 . 0 0 "[ . 1 . 2]" 2
959 1 87 VAL HA 1 87 VAL MG2 . . 3.230 2.528 2.050 3.173 . 0 0 "[ . 1 . 2]" 2
960 1 87 VAL MG1 1 88 MET H . . 4.350 2.789 1.894 4.235 . 0 0 "[ . 1 . 2]" 2
961 1 87 VAL HA 1 87 VAL MG1 . . 3.230 2.599 2.155 3.124 . 0 0 "[ . 1 . 2]" 2
962 1 82 PHE HB2 1 87 VAL MG1 . . 5.040 3.934 3.251 4.857 . 0 0 "[ . 1 . 2]" 2
963 1 82 PHE HB3 1 87 VAL MG1 . . 5.040 3.749 3.272 5.055 0.015 11 0 "[ . 1 . 2]" 2
964 1 56 VAL MG1 1 57 CYS H . . 3.930 3.720 3.610 3.940 0.010 11 0 "[ . 1 . 2]" 2
965 1 56 VAL HA 1 56 VAL MG1 . . 3.220 2.354 2.276 2.446 . 0 0 "[ . 1 . 2]" 2
966 1 56 VAL MG1 1 63 SER HB2 . . 3.700 2.582 1.856 3.184 . 0 0 "[ . 1 . 2]" 2
967 1 47 ALA HA 1 48 GLY H . . 3.510 2.205 2.145 2.407 . 0 0 "[ . 1 . 2]" 2
968 1 47 ALA HA 1 48 GLY QA . . 4.340 3.907 3.890 3.951 . 0 0 "[ . 1 . 2]" 2
969 1 71 VAL MG2 1 72 CYS H . . 4.210 4.134 3.956 4.238 0.028 9 0 "[ . 1 . 2]" 2
970 1 71 VAL MG2 1 78 GLY HA2 . . 4.500 3.353 2.817 3.714 . 0 0 "[ . 1 . 2]" 2
971 1 71 VAL HA 1 71 VAL MG2 . . 3.310 2.357 2.279 2.480 . 0 0 "[ . 1 . 2]" 2
972 1 55 LYS HB2 1 56 VAL MG1 . . 5.370 5.018 4.738 5.291 . 0 0 "[ . 1 . 2]" 2
973 1 91 VAL H 1 91 VAL MG1 . . 3.820 3.806 3.733 3.858 0.038 8 0 "[ . 1 . 2]" 2
974 1 91 VAL MG1 1 92 PRO HA . . 4.590 4.097 3.902 4.316 . 0 0 "[ . 1 . 2]" 2
975 1 91 VAL HA 1 91 VAL MG1 . . 3.090 2.400 2.272 2.497 . 0 0 "[ . 1 . 2]" 2
976 1 91 VAL MG2 1 92 PRO HD2 . . 4.410 3.472 3.167 3.699 . 0 0 "[ . 1 . 2]" 2
977 1 70 LEU MD2 1 91 VAL MG1 . . 4.480 2.043 1.753 2.353 . 0 0 "[ . 1 . 2]" 2
978 1 70 LEU MD1 1 91 VAL MG1 . . 4.480 4.028 3.529 4.522 0.042 19 0 "[ . 1 . 2]" 2
979 1 90 SER HA 1 91 VAL MG2 . . 4.010 3.485 3.340 3.599 . 0 0 "[ . 1 . 2]" 2
980 1 68 LYS HA 1 91 VAL MG2 . . 4.000 3.264 2.483 3.723 . 0 0 "[ . 1 . 2]" 2
981 1 91 VAL HA 1 91 VAL MG2 . . 3.180 2.327 2.238 2.430 . 0 0 "[ . 1 . 2]" 2
982 1 91 VAL MG2 1 92 PRO HD3 . . 4.410 4.176 4.020 4.323 . 0 0 "[ . 1 . 2]" 2
983 1 70 LEU MD1 1 91 VAL MG2 . . 4.500 3.653 2.960 4.506 0.006 19 0 "[ . 1 . 2]" 2
984 1 23 PHE HZ 1 41 VAL MG1 . . 4.270 3.384 2.909 3.996 . 0 0 "[ . 1 . 2]" 2
985 1 23 PHE HZ 1 41 VAL MG2 . . 4.270 2.962 2.223 3.301 . 0 0 "[ . 1 . 2]" 2
986 1 23 PHE QE 1 41 VAL MG1 . . 4.080 3.690 3.141 4.204 0.124 9 0 "[ . 1 . 2]" 2
987 1 23 PHE QE 1 41 VAL MG2 . . 4.080 2.810 2.172 3.190 . 0 0 "[ . 1 . 2]" 2
988 1 41 VAL HA 1 41 VAL MG1 . . 3.430 2.381 2.287 3.193 . 0 0 "[ . 1 . 2]" 2
989 1 41 VAL HA 1 41 VAL MG2 . . 3.430 2.389 2.324 2.447 . 0 0 "[ . 1 . 2]" 2
990 1 12 VAL MG2 1 32 TYR QD . . 4.390 1.960 1.841 2.524 . 0 0 "[ . 1 . 2]" 2
991 1 12 VAL HA 1 12 VAL MG2 . . 3.180 2.449 2.160 3.152 . 0 0 "[ . 1 . 2]" 2
992 1 12 VAL MG2 1 36 CYS HB2 . . 4.440 3.646 2.371 4.245 . 0 0 "[ . 1 . 2]" 2
993 1 12 VAL MG2 1 36 CYS HB3 . . 3.530 2.702 1.776 3.034 . 0 0 "[ . 1 . 2]" 2
994 1 9 ASN HA 1 10 CYS H . . 3.100 2.456 2.231 2.571 . 0 0 "[ . 1 . 2]" 2
995 1 9 ASN HA 1 16 PRO HA . . 3.470 3.306 2.551 3.495 0.025 17 0 "[ . 1 . 2]" 2
996 1 40 ALA HA 1 41 VAL H . . 2.910 2.170 2.141 2.204 . 0 0 "[ . 1 . 2]" 2
997 1 8 ALA HA 1 9 ASN H . . 2.930 2.499 2.176 2.971 0.041 11 0 "[ . 1 . 2]" 2
998 1 7 GLY QA 1 8 ALA HA . . 4.310 4.012 3.935 4.251 . 0 0 "[ . 1 . 2]" 2
999 1 91 VAL HA 1 92 PRO HD3 . . 3.040 2.287 2.253 2.362 . 0 0 "[ . 1 . 2]" 2
1000 1 91 VAL MG1 1 92 PRO HD3 . . 3.670 3.380 3.133 3.662 . 0 0 "[ . 1 . 2]" 2
1001 1 91 VAL HA 1 92 PRO HD2 . . 3.040 2.063 1.947 2.186 . 0 0 "[ . 1 . 2]" 2
1002 1 8 ALA MB 1 31 HIS HD2 . . 4.230 3.620 2.723 4.237 0.007 7 0 "[ . 1 . 2]" 2
1003 1 7 GLY QA 1 8 ALA MB . . 4.190 3.738 3.501 4.030 . 0 0 "[ . 1 . 2]" 2
1004 1 40 ALA H 1 40 ALA MB . . 2.890 2.195 2.065 2.311 . 0 0 "[ . 1 . 2]" 2
1005 1 40 ALA MB 1 41 VAL H . . 3.620 3.415 3.247 3.513 . 0 0 "[ . 1 . 2]" 2
1006 1 11 ALA H 1 11 ALA MB . . 3.020 2.195 2.058 2.342 . 0 0 "[ . 1 . 2]" 2
1007 1 11 ALA MB 1 32 TYR QD . . 3.940 3.420 3.100 3.774 . 0 0 "[ . 1 . 2]" 2
1008 1 11 ALA MB 1 32 TYR QE . . 3.380 2.107 1.914 2.675 . 0 0 "[ . 1 . 2]" 2
1009 1 11 ALA MB 1 32 TYR HA . . 5.100 4.654 3.978 5.112 0.012 7 0 "[ . 1 . 2]" 2
1010 1 56 VAL MG2 1 61 LYS H . . 4.660 4.477 3.962 4.700 0.040 20 0 "[ . 1 . 2]" 2
1011 1 56 VAL MG2 1 57 CYS H . . 4.050 3.127 2.795 3.417 . 0 0 "[ . 1 . 2]" 2
1012 1 56 VAL MG2 1 58 GLN HE21 . . 4.310 3.225 2.703 4.246 . 0 0 "[ . 1 . 2]" 2
1013 1 56 VAL MG2 1 58 GLN HE22 . . 4.310 3.603 2.752 4.296 . 0 0 "[ . 1 . 2]" 2
1014 1 50 GLN HE22 1 56 VAL MG2 . . 4.200 3.854 3.170 4.213 0.013 9 0 "[ . 1 . 2]" 2
1015 1 56 VAL HA 1 56 VAL MG2 . . 3.720 3.190 3.186 3.200 . 0 0 "[ . 1 . 2]" 2
1016 1 56 VAL MG2 1 61 LYS HA . . 3.340 2.728 2.046 3.090 . 0 0 "[ . 1 . 2]" 2
1017 1 55 LYS HA 1 56 VAL MG2 . . 4.330 3.787 3.511 3.969 . 0 0 "[ . 1 . 2]" 2
1018 1 39 ILE MG 1 40 ALA H . . 3.640 2.062 1.924 2.267 . 0 0 "[ . 1 . 2]" 2
1019 1 23 PHE HZ 1 39 ILE MG . . 3.660 2.857 2.134 3.446 . 0 0 "[ . 1 . 2]" 2
1020 1 23 PHE QE 1 39 ILE MG . . 3.710 2.960 2.355 3.692 . 0 0 "[ . 1 . 2]" 2
1021 1 39 ILE HA 1 39 ILE MG . . 3.100 2.323 2.250 2.436 . 0 0 "[ . 1 . 2]" 2
1022 1 34 GLY HA2 1 39 ILE MG . . 4.820 4.076 3.745 4.584 . 0 0 "[ . 1 . 2]" 2
1023 1 39 ILE MG 1 41 VAL HA . . 5.080 3.678 3.363 3.956 . 0 0 "[ . 1 . 2]" 2
1024 1 39 ILE MG 1 45 LYS HD3 . . 3.900 2.693 2.167 3.188 . 0 0 "[ . 1 . 2]" 2
1025 1 47 ALA MB 1 48 GLY H . . 4.080 3.389 2.982 3.686 . 0 0 "[ . 1 . 2]" 2
1026 1 46 ARG H 1 47 ALA MB . . 5.300 4.685 4.551 4.874 . 0 0 "[ . 1 . 2]" 2
1027 1 47 ALA MB 1 49 TRP H . . 5.500 4.983 4.728 5.230 . 0 0 "[ . 1 . 2]" 2
1028 1 47 ALA MB 1 48 GLY QA . . 4.460 3.837 3.611 4.004 . 0 0 "[ . 1 . 2]" 2
1029 1 49 TRP HZ2 1 52 PRO HD2 . . 5.200 3.834 3.195 4.814 . 0 0 "[ . 1 . 2]" 2
1030 1 51 CYS HB2 1 52 PRO HD2 . . 3.840 1.909 1.853 1.953 . 0 0 "[ . 1 . 2]" 2
1031 1 49 TRP HZ2 1 52 PRO HD3 . . 5.200 2.842 2.377 3.751 . 0 0 "[ . 1 . 2]" 2
1032 1 51 CYS HA 1 52 PRO HD3 . . 3.530 2.320 2.308 2.334 . 0 0 "[ . 1 . 2]" 2
1033 1 51 CYS HB2 1 52 PRO HD3 . . 3.840 3.294 3.238 3.344 . 0 0 "[ . 1 . 2]" 2
1034 1 51 CYS HB3 1 52 PRO HD3 . . 4.490 4.497 4.456 4.537 0.047 4 0 "[ . 1 . 2]" 2
1035 1 37 LEU MD1 1 52 PRO HD3 . . 5.220 3.136 2.517 5.025 . 0 0 "[ . 1 . 2]" 2
1036 1 23 PHE QD 1 34 GLY HA3 . . 5.060 4.800 4.460 5.031 . 0 0 "[ . 1 . 2]" 2
1037 1 33 HIS HA 1 34 GLY HA3 . . 4.750 4.461 4.414 4.513 . 0 0 "[ . 1 . 2]" 2
1038 1 34 GLY HA3 1 39 ILE MD . . 5.500 5.249 4.822 5.455 . 0 0 "[ . 1 . 2]" 2
1039 1 23 PHE QE 1 34 GLY HA3 . . 4.160 3.395 3.052 3.691 . 0 0 "[ . 1 . 2]" 2
1040 1 23 PHE QE 1 34 GLY HA2 . . 4.420 2.706 2.168 3.262 . 0 0 "[ . 1 . 2]" 2
1041 1 34 GLY HA2 1 39 ILE MD . . 4.470 3.818 3.370 4.009 . 0 0 "[ . 1 . 2]" 2
1042 1 23 PHE QD 1 34 GLY HA2 . . 4.460 3.805 3.454 4.192 . 0 0 "[ . 1 . 2]" 2
1043 1 71 VAL HA 1 78 GLY HA2 . . 3.830 2.827 2.448 3.283 . 0 0 "[ . 1 . 2]" 2
1044 1 78 GLY HA2 1 79 TYR QD . . 4.780 4.005 3.220 4.534 . 0 0 "[ . 1 . 2]" 2
1045 1 79 TYR QD 1 84 LEU MD2 . . 3.940 3.310 2.423 3.506 . 0 0 "[ . 1 . 2]" 2
1046 1 32 TYR QD 1 49 TRP HH2 . . 4.170 2.285 1.992 2.761 . 0 0 "[ . 1 . 2]" 2
1047 1 24 PHE HA 1 24 PHE QD . . 4.290 2.879 2.519 3.092 . 0 0 "[ . 1 . 2]" 2
1048 1 23 PHE QE 1 45 LYS HB3 . . 4.400 2.542 1.983 3.314 . 0 0 "[ . 1 . 2]" 2
1049 1 24 PHE HZ 1 29 GLY HA2 . . 4.790 3.532 2.955 4.063 . 0 0 "[ . 1 . 2]" 2
1050 1 23 PHE HZ 1 39 ILE HB . . 5.250 4.198 3.473 4.698 . 0 0 "[ . 1 . 2]" 2
1051 1 79 TYR QD 1 96 TRP HH2 . . 3.650 2.390 1.975 3.493 . 0 0 "[ . 1 . 2]" 2
1052 1 32 TYR HB3 1 49 TRP HH2 . . 4.610 4.048 3.471 4.525 . 0 0 "[ . 1 . 2]" 2
1053 1 32 TYR HA 1 33 HIS H . . 3.280 2.161 2.138 2.266 . 0 0 "[ . 1 . 2]" 2
1054 1 32 TYR HA 1 32 TYR QD . . 3.900 3.041 2.812 3.237 . 0 0 "[ . 1 . 2]" 2
1055 1 10 CYS HA 1 32 TYR HA . . 3.710 3.307 2.970 3.670 . 0 0 "[ . 1 . 2]" 2
1056 1 96 TRP HZ3 1 98 CYS HB2 . . 4.820 3.992 3.278 4.785 . 0 0 "[ . 1 . 2]" 2
1057 1 72 CYS HA 1 96 TRP HE3 . . 4.050 2.157 1.991 2.567 . 0 0 "[ . 1 . 2]" 2
1058 1 25 CYS HA 1 49 TRP HE3 . . 4.160 2.775 2.437 2.992 . 0 0 "[ . 1 . 2]" 2
1059 1 31 HIS HA 1 32 TYR QD . . 4.250 3.171 2.699 3.735 . 0 0 "[ . 1 . 2]" 2
1060 1 24 PHE HA 1 31 HIS HA . . 3.450 2.954 2.587 3.365 . 0 0 "[ . 1 . 2]" 2
1061 1 79 TYR QE 1 98 CYS HB2 . . 4.190 3.083 2.553 3.584 . 0 0 "[ . 1 . 2]" 2
1062 1 58 GLN HG2 1 79 TYR QE . . 4.740 3.764 3.201 4.541 . 0 0 "[ . 1 . 2]" 2
1063 1 58 GLN HB3 1 79 TYR QE . . 4.280 3.416 2.911 4.112 . 0 0 "[ . 1 . 2]" 2
1064 1 79 TYR QE 1 84 LEU MD2 . . 4.940 4.641 3.768 4.881 . 0 0 "[ . 1 . 2]" 2
1065 1 79 TYR QE 1 96 TRP HH2 . . 4.670 4.122 3.656 4.678 0.008 7 0 "[ . 1 . 2]" 2
1066 1 58 GLN HB2 1 79 TYR QE . . 4.280 2.080 1.973 3.184 . 0 0 "[ . 1 . 2]" 2
1067 1 77 LYS HB3 1 79 TYR QE . . 4.490 2.901 1.995 3.585 . 0 0 "[ . 1 . 2]" 2
1068 1 19 LEU HA 1 33 HIS HD2 . . 5.120 4.842 3.919 5.157 0.037 17 0 "[ . 1 . 2]" 2
1069 1 69 MET HB2 1 80 HIS HD2 . . 4.910 2.143 1.978 2.955 . 0 0 "[ . 1 . 2]" 2
1070 1 33 HIS HA 1 33 HIS HD2 . . 4.480 2.639 2.279 2.967 . 0 0 "[ . 1 . 2]" 2
1071 1 22 GLN HG3 1 33 HIS HD2 . . 4.620 4.148 2.107 4.796 0.176 15 0 "[ . 1 . 2]" 2
1072 1 103 ILE HB 1 103 ILE MD . . 3.710 2.791 2.115 3.228 . 0 0 "[ . 1 . 2]" 2
1073 1 103 ILE HA 1 103 ILE MD . . 3.810 2.466 1.913 3.316 . 0 0 "[ . 1 . 2]" 2
1074 1 105 ILE HA 1 105 ILE MD . . 4.030 3.172 1.965 4.100 0.070 5 0 "[ . 1 . 2]" 2
1075 1 100 ASN HA 1 103 ILE MD . . 3.930 2.801 1.903 3.621 . 0 0 "[ . 1 . 2]" 2
1076 1 103 ILE H 1 103 ILE MD . . 4.480 2.339 1.850 2.830 . 0 0 "[ . 1 . 2]" 2
1077 1 10 CYS HB3 1 33 HIS HE1 . . 4.210 3.538 2.981 4.157 . 0 0 "[ . 1 . 2]" 2
1078 1 10 CYS HB2 1 33 HIS HE1 . . 4.210 2.622 2.164 3.071 . 0 0 "[ . 1 . 2]" 2
1079 1 16 PRO QD 1 33 HIS HE1 . . 5.500 5.105 4.677 5.370 . 0 0 "[ . 1 . 2]" 2
1080 1 15 SER H 1 33 HIS HE1 . . 4.510 3.491 3.010 4.191 . 0 0 "[ . 1 . 2]" 2
1081 1 57 CYS HB2 1 80 HIS HE1 . . 4.040 2.702 2.398 3.198 . 0 0 "[ . 1 . 2]" 2
1082 1 62 GLN QB 1 80 HIS HE1 . . 4.070 3.235 2.599 4.058 . 0 0 "[ . 1 . 2]" 2
1083 1 57 CYS HB3 1 80 HIS HE1 . . 3.930 2.958 2.646 3.460 . 0 0 "[ . 1 . 2]" 2
1084 1 57 CYS H 1 80 HIS HE1 . . 4.640 3.879 3.443 4.267 . 0 0 "[ . 1 . 2]" 2
1085 1 8 ALA MB 1 31 HIS HE1 . . 4.810 2.587 1.899 3.480 . 0 0 "[ . 1 . 2]" 2
1086 1 8 ALA HA 1 31 HIS HE1 . . 5.500 4.884 1.995 5.472 . 0 0 "[ . 1 . 2]" 2
1087 1 24 PHE QD 1 31 HIS HE1 . . 4.970 4.004 2.874 4.987 0.017 15 0 "[ . 1 . 2]" 2
1088 1 24 PHE QE 1 31 HIS HE1 . . 5.470 4.957 3.653 5.487 0.017 18 0 "[ . 1 . 2]" 2
1089 1 74 THR HB 1 101 CYS HB3 . . 4.080 3.198 3.012 3.442 . 0 0 "[ . 1 . 2]" 2
1090 1 74 THR HB 1 101 CYS HB2 . . 4.080 3.808 3.385 4.101 0.021 4 0 "[ . 1 . 2]" 2
1091 1 42 THR HB 1 43 PRO QD . . 3.230 2.224 1.850 3.143 . 0 0 "[ . 1 . 2]" 2
1092 1 97 LYS HA 1 97 LYS QD . . 4.810 3.867 2.353 4.120 . 0 0 "[ . 1 . 2]" 2
1093 1 44 LEU HB2 1 44 LEU MD2 . . 3.490 2.633 2.203 3.192 . 0 0 "[ . 1 . 2]" 2
1094 1 44 LEU HB3 1 44 LEU MD2 . . 3.490 2.365 2.056 3.188 . 0 0 "[ . 1 . 2]" 2
1095 1 44 LEU MD2 1 75 CYS HB3 . . 5.280 3.175 2.462 4.858 . 0 0 "[ . 1 . 2]" 2
1096 1 44 LEU MD2 1 74 THR MG . . 4.000 2.456 1.656 3.912 . 0 0 "[ . 1 . 2]" 2
1097 1 70 LEU MD1 1 88 MET ME . . 3.160 2.415 1.980 3.177 0.017 19 0 "[ . 1 . 2]" 2
1098 1 70 LEU MD2 1 88 MET ME . . 3.160 2.858 1.832 3.165 0.005 6 0 "[ . 1 . 2]" 2
1099 1 84 LEU MD1 1 88 MET ME . . 3.500 3.421 3.237 3.533 0.033 3 0 "[ . 1 . 2]" 2
1100 1 88 MET ME 1 88 MET QG . . 3.080 2.112 1.973 2.381 . 0 0 "[ . 1 . 2]" 2
1101 1 56 VAL MG1 1 69 MET ME . . 4.020 3.803 3.465 4.047 0.027 20 0 "[ . 1 . 2]" 2
1102 1 69 MET ME 1 69 MET QG . . 2.950 2.085 1.967 2.190 . 0 0 "[ . 1 . 2]" 2
1103 1 9 ASN HB2 1 14 ASP HA . . 3.890 3.415 2.139 3.905 0.015 17 0 "[ . 1 . 2]" 2
1104 1 56 VAL HA 1 63 SER HA . . 3.940 3.703 2.438 3.965 0.025 16 0 "[ . 1 . 2]" 2
1105 1 27 THR HB 1 54 CYS HB2 . . 4.300 2.984 2.703 3.198 . 0 0 "[ . 1 . 2]" 2
1106 1 77 LYS HA 1 77 LYS QE . . 4.910 3.805 1.956 4.859 . 0 0 "[ . 1 . 2]" 2
1107 1 92 PRO HA 1 93 THR H . . 3.340 2.418 2.150 3.338 . 0 0 "[ . 1 . 2]" 2
1108 1 56 VAL MG1 1 63 SER HA . . 3.870 3.496 2.358 3.927 0.057 3 0 "[ . 1 . 2]" 2
1109 1 56 VAL HB 1 63 SER HA . . 4.150 3.462 2.613 4.046 . 0 0 "[ . 1 . 2]" 2
1110 1 18 ASP HA 1 19 LEU H . . 3.080 2.164 2.139 2.231 . 0 0 "[ . 1 . 2]" 2
1111 1 33 HIS HA 1 34 GLY HA2 . . 4.980 4.315 4.306 4.328 . 0 0 "[ . 1 . 2]" 2
1112 1 72 CYS HA 1 97 LYS HA . . 4.090 3.748 3.165 4.117 0.027 18 0 "[ . 1 . 2]" 2
1113 1 97 LYS HA 1 98 CYS H . . 3.290 2.156 2.140 2.278 . 0 0 "[ . 1 . 2]" 2
1114 1 73 ASP H 1 97 LYS HA . . 4.040 3.596 3.238 3.938 . 0 0 "[ . 1 . 2]" 2
1115 1 30 GLN HB2 1 32 TYR QE . . 4.060 2.050 1.984 2.179 . 0 0 "[ . 1 . 2]" 2
1116 1 24 PHE HA 1 25 CYS H . . 3.160 2.150 2.139 2.200 . 0 0 "[ . 1 . 2]" 2
1117 1 32 TYR QE 1 37 LEU MD1 . . 5.050 3.875 3.580 4.437 . 0 0 "[ . 1 . 2]" 2
1118 1 15 SER HA 1 16 PRO QD . . 2.920 1.999 1.867 2.067 . 0 0 "[ . 1 . 2]" 2
1119 1 58 GLN H 1 79 TYR HA . . 4.080 3.653 3.138 4.111 0.031 3 0 "[ . 1 . 2]" 2
1120 1 79 TYR HA 1 79 TYR QD . . 3.820 2.734 2.267 3.181 . 0 0 "[ . 1 . 2]" 2
1121 1 22 GLN HB3 1 23 PHE H . . 5.500 3.854 3.207 4.124 . 0 0 "[ . 1 . 2]" 2
1122 1 22 GLN HB3 1 32 TYR H . . 5.500 3.921 2.872 4.996 . 0 0 "[ . 1 . 2]" 2
1123 1 22 GLN HB2 1 23 PHE H . . 5.500 3.014 2.249 4.445 . 0 0 "[ . 1 . 2]" 2
1124 1 22 GLN HB2 1 32 TYR H . . 5.500 2.773 1.969 4.819 . 0 0 "[ . 1 . 2]" 2
1125 1 88 MET ME 1 92 PRO HD2 . . 3.580 3.062 2.114 3.544 . 0 0 "[ . 1 . 2]" 2
1126 1 88 MET ME 1 92 PRO HD3 . . 3.580 2.015 1.842 2.271 . 0 0 "[ . 1 . 2]" 2
1127 1 88 MET ME 1 91 VAL HA . . 4.000 3.446 2.549 3.979 . 0 0 "[ . 1 . 2]" 2
1128 1 88 MET ME 1 96 TRP HA . . 4.830 4.502 3.476 4.818 . 0 0 "[ . 1 . 2]" 2
1129 1 88 MET ME 1 96 TRP HZ2 . . 4.690 4.204 3.544 4.547 . 0 0 "[ . 1 . 2]" 2
1130 1 88 MET ME 1 96 TRP HD1 . . 3.160 2.207 1.806 2.695 . 0 0 "[ . 1 . 2]" 2
1131 1 88 MET ME 1 96 TRP HE1 . . 3.100 2.108 1.791 2.753 . 0 0 "[ . 1 . 2]" 2
1132 1 69 MET ME 1 78 GLY HA3 . . 3.590 2.560 1.917 3.057 . 0 0 "[ . 1 . 2]" 2
1133 1 57 CYS HB3 1 69 MET ME . . 3.810 3.708 3.382 3.858 0.048 13 0 "[ . 1 . 2]" 2
1134 1 63 SER HB3 1 69 MET ME . . 4.920 4.783 3.507 4.937 0.017 2 0 "[ . 1 . 2]" 2
1135 1 55 LYS HA 1 69 MET ME . . 5.440 5.324 4.937 5.473 0.033 14 0 "[ . 1 . 2]" 2
1136 1 57 CYS HA 1 69 MET ME . . 3.350 2.670 2.381 2.935 . 0 0 "[ . 1 . 2]" 2
1137 1 56 VAL HA 1 69 MET ME . . 3.150 2.164 1.892 2.608 . 0 0 "[ . 1 . 2]" 2
1138 1 69 MET HA 1 69 MET ME . . 4.520 4.259 4.046 4.609 0.089 13 0 "[ . 1 . 2]" 2
1139 1 63 SER HA 1 69 MET ME . . 3.850 3.317 2.488 3.734 . 0 0 "[ . 1 . 2]" 2
1140 1 69 MET ME 1 78 GLY HA2 . . 4.010 3.579 2.858 3.958 . 0 0 "[ . 1 . 2]" 2
1141 1 69 MET ME 1 79 TYR HA . . 4.350 3.864 3.088 4.208 . 0 0 "[ . 1 . 2]" 2
1142 1 69 MET ME 1 80 HIS HD2 . . 3.900 3.380 2.959 3.941 0.041 13 0 "[ . 1 . 2]" 2
1143 1 69 MET ME 1 80 HIS HE1 . . 4.190 3.729 3.346 4.155 . 0 0 "[ . 1 . 2]" 2
1144 1 57 CYS H 1 69 MET ME . . 3.160 2.340 1.886 2.708 . 0 0 "[ . 1 . 2]" 2
1145 1 69 MET ME 1 79 TYR H . . 4.130 3.795 3.255 4.123 . 0 0 "[ . 1 . 2]" 2
1146 1 58 GLN H 1 69 MET ME . . 4.910 4.500 4.193 4.849 . 0 0 "[ . 1 . 2]" 2
1147 1 69 MET ME 1 78 GLY H . . 5.500 4.656 3.810 5.393 . 0 0 "[ . 1 . 2]" 2
1148 1 69 MET ME 1 80 HIS H . . 4.610 4.086 3.542 4.540 . 0 0 "[ . 1 . 2]" 2
1149 1 56 VAL H 1 69 MET ME . . 4.100 3.974 3.447 4.170 0.070 13 0 "[ . 1 . 2]" 2
1150 1 10 CYS HB2 1 11 ALA H . . 4.950 4.278 4.060 4.412 . 0 0 "[ . 1 . 2]" 2
1151 1 11 ALA MB 1 30 GLN HA . . 5.100 4.809 4.158 5.108 0.008 8 0 "[ . 1 . 2]" 2
1152 1 12 VAL HB 1 32 TYR QD . . 4.900 3.920 3.372 4.880 . 0 0 "[ . 1 . 2]" 2
1153 1 14 ASP HA 1 15 SER H . . 3.520 2.709 2.621 2.784 . 0 0 "[ . 1 . 2]" 2
1154 1 15 SER HA 1 16 PRO HG3 . . 4.700 4.387 4.314 4.448 . 0 0 "[ . 1 . 2]" 2
1155 1 10 CYS H 1 16 PRO HA . . 4.240 3.959 3.244 4.254 0.014 6 0 "[ . 1 . 2]" 2
1156 1 17 GLY HA3 1 18 ASP HA . . 4.850 4.386 4.329 4.454 . 0 0 "[ . 1 . 2]" 2
1157 1 18 ASP HB3 1 33 HIS HD2 . . 4.970 4.371 3.136 4.948 . 0 0 "[ . 1 . 2]" 2
1158 1 18 ASP HB2 1 33 HIS HD2 . . 4.970 3.804 2.205 4.919 . 0 0 "[ . 1 . 2]" 2
1159 1 16 PRO HB2 1 19 LEU MD1 . . 5.140 4.376 3.120 5.156 0.016 14 0 "[ . 1 . 2]" 2
1160 1 19 LEU MD1 1 22 GLN HG3 . . 6.290 4.469 2.983 6.351 0.061 15 0 "[ . 1 . 2]" 2
1161 1 19 LEU MD1 1 22 GLN HG2 . . 6.290 4.358 3.162 6.266 . 0 0 "[ . 1 . 2]" 2
1162 1 20 LEU HB3 1 21 ASP H . . 4.790 3.394 2.657 3.854 . 0 0 "[ . 1 . 2]" 2
1163 1 20 LEU HB2 1 20 LEU MD1 . . 3.510 2.436 1.998 3.181 . 0 0 "[ . 1 . 2]" 2
1164 1 20 LEU HB3 1 20 LEU MD1 . . 3.510 2.622 2.299 3.188 . 0 0 "[ . 1 . 2]" 2
1165 1 22 GLN HA 1 22 GLN HG3 . . 4.220 3.661 3.030 3.920 . 0 0 "[ . 1 . 2]" 2
1166 1 23 PHE QD 1 41 VAL MG1 . . 5.500 4.979 4.706 5.547 0.047 9 0 "[ . 1 . 2]" 2
1167 1 23 PHE QD 1 41 VAL MG2 . . 5.500 4.308 3.347 4.649 . 0 0 "[ . 1 . 2]" 2
1168 1 23 PHE QD 1 49 TRP HB2 . . 5.500 2.540 2.034 3.729 . 0 0 "[ . 1 . 2]" 2
1169 1 23 PHE H 1 23 PHE QD . . 5.190 2.093 1.891 2.690 . 0 0 "[ . 1 . 2]" 2
1170 1 24 PHE QD 1 26 THR HA . . 4.880 4.376 3.946 4.729 . 0 0 "[ . 1 . 2]" 2
1171 1 24 PHE QD 1 31 HIS HA . . 5.060 4.371 3.635 4.968 . 0 0 "[ . 1 . 2]" 2
1172 1 24 PHE HZ 1 26 THR HA . . 4.910 3.998 3.412 4.507 . 0 0 "[ . 1 . 2]" 2
1173 1 27 THR MG 1 54 CYS HB2 . . 4.210 3.876 3.668 4.036 . 0 0 "[ . 1 . 2]" 2
1174 1 27 THR MG 1 28 CYS HB2 . . 5.040 4.646 4.407 4.824 . 0 0 "[ . 1 . 2]" 2
1175 1 27 THR MG 1 50 GLN HE22 . . 4.940 4.629 4.099 4.930 . 0 0 "[ . 1 . 2]" 2
1176 1 27 THR MG 1 50 GLN HE21 . . 4.680 4.390 3.668 4.684 0.004 7 0 "[ . 1 . 2]" 2
1177 1 28 CYS HB2 1 29 GLY H . . 4.900 3.753 3.668 3.910 . 0 0 "[ . 1 . 2]" 2
1178 1 28 CYS H 1 29 GLY HA3 . . 4.970 4.951 4.894 4.992 0.022 14 0 "[ . 1 . 2]" 2
1179 1 32 TYR QE 1 51 CYS HA . . 5.140 4.718 4.476 4.981 . 0 0 "[ . 1 . 2]" 2
1180 1 32 TYR QE 1 49 TRP HH2 . . 4.960 3.584 2.941 4.274 . 0 0 "[ . 1 . 2]" 2
1181 1 33 HIS HB3 1 35 MET H . . 5.070 2.617 2.360 2.908 . 0 0 "[ . 1 . 2]" 2
1182 1 35 MET HG2 1 36 CYS H . . 5.150 4.093 2.900 5.044 . 0 0 "[ . 1 . 2]" 2
1183 1 35 MET HG3 1 36 CYS H . . 5.150 4.166 1.992 4.972 . 0 0 "[ . 1 . 2]" 2
1184 1 12 VAL MG1 1 36 CYS HA . . 5.140 3.511 3.136 5.150 0.010 13 0 "[ . 1 . 2]" 2
1185 1 37 LEU MD1 1 38 ASP H . . 5.500 5.038 4.156 5.363 . 0 0 "[ . 1 . 2]" 2
1186 1 39 ILE HG13 1 40 ALA H . . 5.150 4.944 4.805 5.091 . 0 0 "[ . 1 . 2]" 2
1187 1 39 ILE HG12 1 40 ALA H . . 5.150 4.274 4.114 4.449 . 0 0 "[ . 1 . 2]" 2
1188 1 39 ILE MG 1 40 ALA MB . . 4.300 3.487 3.354 3.619 . 0 0 "[ . 1 . 2]" 2
1189 1 42 THR H 1 42 THR MG . . 3.880 2.802 1.815 3.243 . 0 0 "[ . 1 . 2]" 2
1190 1 42 THR MG 1 45 LYS H . . 4.900 3.719 1.870 4.608 . 0 0 "[ . 1 . 2]" 2
1191 1 42 THR MG 1 45 LYS HE2 . . 4.330 3.685 2.556 4.325 . 0 0 "[ . 1 . 2]" 2
1192 1 42 THR MG 1 45 LYS HD3 . . 5.500 4.800 3.277 5.549 0.049 9 0 "[ . 1 . 2]" 2
1193 1 43 PRO HG3 1 44 LEU H . . 4.980 4.596 4.333 4.782 . 0 0 "[ . 1 . 2]" 2
1194 1 44 LEU MD1 1 74 THR MG . . 4.000 3.346 1.772 4.026 0.026 9 0 "[ . 1 . 2]" 2
1195 1 44 LEU MD2 1 75 CYS HB2 . . 5.280 3.654 2.011 5.316 0.036 17 0 "[ . 1 . 2]" 2
1196 1 45 LYS HB2 1 46 ARG H . . 5.010 2.726 2.223 3.693 . 0 0 "[ . 1 . 2]" 2
1197 1 45 LYS HB3 1 46 ARG H . . 5.010 3.004 2.324 3.462 . 0 0 "[ . 1 . 2]" 2
1198 1 23 PHE QE 1 46 ARG HG2 . . 5.140 3.435 2.670 4.811 . 0 0 "[ . 1 . 2]" 2
1199 1 23 PHE QE 1 46 ARG HG3 . . 5.140 2.972 2.414 3.891 . 0 0 "[ . 1 . 2]" 2
1200 1 46 ARG H 1 46 ARG HD2 . . 5.220 4.315 3.537 4.930 . 0 0 "[ . 1 . 2]" 2
1201 1 46 ARG H 1 46 ARG HD3 . . 5.220 4.189 3.723 4.834 . 0 0 "[ . 1 . 2]" 2
1202 1 46 ARG HA 1 46 ARG HD3 . . 5.250 4.565 4.388 4.696 . 0 0 "[ . 1 . 2]" 2
1203 1 46 ARG HA 1 46 ARG HD2 . . 5.250 4.708 4.269 4.863 . 0 0 "[ . 1 . 2]" 2
1204 1 73 ASP H 1 96 TRP HE3 . . 5.000 4.056 3.574 4.435 . 0 0 "[ . 1 . 2]" 2
1205 1 72 CYS H 1 96 TRP HE3 . . 5.110 3.662 3.095 4.286 . 0 0 "[ . 1 . 2]" 2
1206 1 26 THR H 1 50 GLN HA . . 3.930 3.419 3.116 3.645 . 0 0 "[ . 1 . 2]" 2
1207 1 50 GLN HA 1 50 GLN HG2 . . 4.210 2.256 2.140 2.884 . 0 0 "[ . 1 . 2]" 2
1208 1 52 PRO HA 1 54 CYS H . . 4.990 3.928 3.716 4.105 . 0 0 "[ . 1 . 2]" 2
1209 1 37 LEU MD1 1 52 PRO HG3 . . 5.130 3.080 1.951 4.571 . 0 0 "[ . 1 . 2]" 2
1210 1 53 GLU HG2 1 54 CYS H . . 5.100 4.565 4.221 5.087 . 0 0 "[ . 1 . 2]" 2
1211 1 50 GLN HE21 1 55 LYS HA . . 4.840 3.069 2.723 3.521 . 0 0 "[ . 1 . 2]" 2
1212 1 54 CYS HB2 1 55 LYS HA . . 4.960 4.335 4.183 4.478 . 0 0 "[ . 1 . 2]" 2
1213 1 55 LYS HB3 1 56 VAL H . . 4.800 4.186 4.058 4.320 . 0 0 "[ . 1 . 2]" 2
1214 1 55 LYS H 1 55 LYS HB2 . . 3.650 3.156 2.726 3.560 . 0 0 "[ . 1 . 2]" 2
1215 1 50 GLN HE21 1 55 LYS HB3 . . 5.500 4.852 4.208 5.396 . 0 0 "[ . 1 . 2]" 2
1216 1 55 LYS HG3 1 56 VAL MG1 . . 5.300 4.550 4.027 5.182 . 0 0 "[ . 1 . 2]" 2
1217 1 55 LYS HG2 1 56 VAL MG1 . . 5.300 4.486 3.972 4.860 . 0 0 "[ . 1 . 2]" 2
1218 1 52 PRO HA 1 55 LYS HE3 . . 5.100 4.157 2.551 5.122 0.022 15 0 "[ . 1 . 2]" 2
1219 1 52 PRO HA 1 55 LYS HE2 . . 5.100 4.238 2.646 4.993 . 0 0 "[ . 1 . 2]" 2
1220 1 55 LYS HE2 1 71 VAL MG2 . . 4.160 2.886 1.950 4.161 0.001 1 0 "[ . 1 . 2]" 2
1221 1 55 LYS HE3 1 71 VAL MG2 . . 4.160 3.078 1.975 4.177 0.017 12 0 "[ . 1 . 2]" 2
1222 1 58 GLN HA 1 61 LYS H . . 4.850 3.751 3.297 4.161 . 0 0 "[ . 1 . 2]" 2
1223 1 60 CYS HB2 1 62 GLN QG . . 4.790 3.349 2.769 4.113 . 0 0 "[ . 1 . 2]" 2
1224 1 65 GLU HA 1 67 SER H . . 4.810 3.957 3.626 4.360 . 0 0 "[ . 1 . 2]" 2
1225 1 65 GLU HB2 1 82 PHE HZ . . 5.050 3.307 2.019 4.687 . 0 0 "[ . 1 . 2]" 2
1226 1 65 GLU HB2 1 66 ASP H . . 4.970 4.414 4.102 4.537 . 0 0 "[ . 1 . 2]" 2
1227 1 65 GLU QG 1 80 HIS HD2 . . 5.400 5.086 2.599 5.417 0.017 6 0 "[ . 1 . 2]" 2
1228 1 66 ASP HA 1 69 MET ME . . 4.850 4.300 3.879 4.795 . 0 0 "[ . 1 . 2]" 2
1229 1 66 ASP HB2 1 67 SER H . . 4.790 3.104 2.105 3.965 . 0 0 "[ . 1 . 2]" 2
1230 1 66 ASP HB3 1 67 SER H . . 4.790 3.303 2.193 3.986 . 0 0 "[ . 1 . 2]" 2
1231 1 67 SER HB3 1 68 LYS H . . 4.760 3.082 2.087 3.926 . 0 0 "[ . 1 . 2]" 2
1232 1 68 LYS QE 1 82 PHE QE . . 5.130 4.018 2.166 5.145 0.015 4 0 "[ . 1 . 2]" 2
1233 1 68 LYS QE 1 82 PHE QD . . 5.190 4.494 2.174 5.195 0.005 14 0 "[ . 1 . 2]" 2
1234 1 69 MET QG 1 78 GLY HA2 . . 4.850 2.987 2.417 3.402 . 0 0 "[ . 1 . 2]" 2
1235 1 70 LEU MD1 1 96 TRP HD1 . . 5.020 3.999 2.997 5.012 . 0 0 "[ . 1 . 2]" 2
1236 1 70 LEU MD1 1 96 TRP QB . . 4.810 4.282 3.661 4.811 0.001 5 0 "[ . 1 . 2]" 2
1237 1 70 LEU H 1 70 LEU MD2 . . 4.530 3.967 3.559 4.308 . 0 0 "[ . 1 . 2]" 2
1238 1 70 LEU MD2 1 96 TRP HZ2 . . 5.500 4.889 3.781 5.463 . 0 0 "[ . 1 . 2]" 2
1239 1 72 CYS HB3 1 73 ASP H . . 5.270 3.610 3.214 4.222 . 0 0 "[ . 1 . 2]" 2
1240 1 72 CYS HB3 1 75 CYS H . . 4.850 3.068 2.657 3.476 . 0 0 "[ . 1 . 2]" 2
1241 1 72 CYS HB2 1 73 ASP H . . 5.270 4.033 3.892 4.272 . 0 0 "[ . 1 . 2]" 2
1242 1 77 LYS HA 1 77 LYS HD2 . . 4.790 3.689 2.024 4.643 . 0 0 "[ . 1 . 2]" 2
1243 1 77 LYS H 1 77 LYS QE . . 5.330 4.925 4.096 5.393 0.063 12 0 "[ . 1 . 2]" 2
1244 1 69 MET HA 1 80 HIS HD2 . . 4.840 2.446 1.972 3.321 . 0 0 "[ . 1 . 2]" 2
1245 1 70 LEU H 1 81 THR MG . . 4.740 3.841 3.003 4.411 . 0 0 "[ . 1 . 2]" 2
1246 1 82 PHE HB3 1 87 VAL MG2 . . 5.040 3.848 3.085 4.998 . 0 0 "[ . 1 . 2]" 2
1247 1 84 LEU MD1 1 96 TRP HH2 . . 4.770 3.530 3.036 4.000 . 0 0 "[ . 1 . 2]" 2
1248 1 84 LEU MD1 1 85 GLN H . . 4.990 4.719 4.461 4.938 . 0 0 "[ . 1 . 2]" 2
1249 1 86 PRO HG3 1 87 VAL H . . 5.070 4.916 4.796 5.038 . 0 0 "[ . 1 . 2]" 2
1250 1 86 PRO HG2 1 87 VAL H . . 5.070 4.239 4.109 4.369 . 0 0 "[ . 1 . 2]" 2
1251 1 87 VAL HA 1 88 MET HB2 . . 4.580 4.444 4.359 4.551 . 0 0 "[ . 1 . 2]" 2
1252 1 87 VAL HA 1 88 MET QG . . 4.890 3.961 3.661 4.225 . 0 0 "[ . 1 . 2]" 2
1253 1 82 PHE HB2 1 87 VAL MG2 . . 5.040 3.794 3.159 4.886 . 0 0 "[ . 1 . 2]" 2
1254 1 90 SER HB3 1 91 VAL MG2 . . 5.360 4.753 4.106 5.319 . 0 0 "[ . 1 . 2]" 2
1255 1 90 SER HB2 1 91 VAL MG2 . . 5.360 4.906 4.267 5.369 0.009 11 0 "[ . 1 . 2]" 2
1256 1 70 LEU MD1 1 92 PRO HD3 . . 4.460 3.744 3.100 4.491 0.031 9 0 "[ . 1 . 2]" 2
1257 1 97 LYS HB3 1 98 CYS H . . 5.010 3.931 3.510 4.122 . 0 0 "[ . 1 . 2]" 2
1258 1 79 TYR QD 1 98 CYS HB3 . . 4.860 3.294 2.863 3.796 . 0 0 "[ . 1 . 2]" 2
1259 1 96 TRP HH2 1 98 CYS HB3 . . 4.640 3.057 2.666 3.536 . 0 0 "[ . 1 . 2]" 2
1260 1 99 LYS QG 1 103 ILE MD . . 4.290 2.568 2.101 3.109 . 0 0 "[ . 1 . 2]" 2
1261 1 99 LYS QG 1 100 ASN HA . . 4.740 3.617 2.985 4.304 . 0 0 "[ . 1 . 2]" 2
1262 1 99 LYS QD 1 103 ILE MD . . 4.860 3.278 1.983 4.406 . 0 0 "[ . 1 . 2]" 2
1263 1 99 LYS HA 1 99 LYS QD . . 4.490 3.670 2.172 4.260 . 0 0 "[ . 1 . 2]" 2
1264 1 99 LYS QE 1 103 ILE MD . . 4.390 3.138 1.863 4.376 . 0 0 "[ . 1 . 2]" 2
1265 1 102 ARG HA 1 102 ARG QD . . 4.520 4.248 3.695 4.469 . 0 0 "[ . 1 . 2]" 2
1266 1 105 ILE MG 1 106 SER H . . 4.700 3.497 1.911 4.120 . 0 0 "[ . 1 . 2]" 2
1267 1 103 ILE MG 1 104 CYS H . . 4.230 2.422 1.966 2.922 . 0 0 "[ . 1 . 2]" 2
1268 1 105 ILE MG 1 106 SER QB . . 4.690 4.159 2.490 4.717 0.027 5 0 "[ . 1 . 2]" 2
1269 1 25 CYS HB3 1 49 TRP HZ3 . . 4.650 4.099 3.587 4.599 . 0 0 "[ . 1 . 2]" 2
1270 1 25 CYS HB3 1 32 TYR QE . . 4.760 4.423 3.952 4.779 0.019 3 0 "[ . 1 . 2]" 2
1271 1 25 CYS HB3 1 49 TRP HE3 . . 5.180 4.997 4.566 5.199 0.019 16 0 "[ . 1 . 2]" 2
1272 1 49 TRP HH2 1 51 CYS HB3 . . 4.950 3.167 2.512 3.964 . 0 0 "[ . 1 . 2]" 2
1273 1 32 TYR QD 1 51 CYS HB3 . . 4.960 3.822 3.469 4.383 . 0 0 "[ . 1 . 2]" 2
1274 1 74 THR HB 1 97 LYS QD . . 5.150 4.580 3.083 5.151 0.001 19 0 "[ . 1 . 2]" 2
1275 1 32 TYR QD 1 49 TRP HZ3 . . 4.060 2.693 2.067 3.321 . 0 0 "[ . 1 . 2]" 2
1276 1 49 TRP HB3 1 49 TRP HZ3 . . 5.500 4.881 4.829 4.959 . 0 0 "[ . 1 . 2]" 2
1277 1 25 CYS HA 1 49 TRP HZ3 . . 4.920 3.533 2.704 3.946 . 0 0 "[ . 1 . 2]" 2
1278 1 22 GLN HA 1 33 HIS HD2 . . 5.150 3.838 3.389 4.356 . 0 0 "[ . 1 . 2]" 2
1279 1 49 TRP HZ3 1 51 CYS HB2 . . 5.090 3.910 3.431 4.436 . 0 0 "[ . 1 . 2]" 2
1280 1 32 TYR QD 1 51 CYS HB2 . . 4.860 3.690 3.276 4.291 . 0 0 "[ . 1 . 2]" 2
1281 1 105 ILE H 1 105 ILE HG13 . . 4.800 3.988 1.892 4.647 . 0 0 "[ . 1 . 2]" 2
1282 1 105 ILE HG13 1 105 ILE MG . . 3.700 2.926 2.267 3.187 . 0 0 "[ . 1 . 2]" 2
1283 1 97 LYS HA 1 98 CYS HA . . 4.960 4.373 4.351 4.415 . 0 0 "[ . 1 . 2]" 2
1284 1 98 CYS HA 1 99 LYS HB3 . . 4.970 4.807 4.634 4.963 . 0 0 "[ . 1 . 2]" 2
1285 1 98 CYS HA 1 99 LYS HB2 . . 4.970 4.693 4.484 4.845 . 0 0 "[ . 1 . 2]" 2
1286 1 44 LEU HA 1 47 ALA MB . . 3.860 3.586 3.099 3.877 0.017 16 0 "[ . 1 . 2]" 2
1287 1 68 LYS H 1 91 VAL MG2 . . 5.500 5.375 4.858 5.514 0.014 9 0 "[ . 1 . 2]" 2
1288 1 71 VAL H 1 91 VAL MG1 . . 5.500 5.093 4.057 5.521 0.021 14 0 "[ . 1 . 2]" 2
1289 1 91 VAL MG1 1 92 PRO HD2 . . 3.670 2.010 1.810 2.322 . 0 0 "[ . 1 . 2]" 2
1290 1 88 MET QG 1 91 VAL MG2 . . 5.500 5.333 5.025 5.519 0.019 15 0 "[ . 1 . 2]" 2
1291 1 35 MET ME 1 36 CYS H . . 5.110 4.535 2.879 5.155 0.045 10 0 "[ . 1 . 2]" 2
1292 1 35 MET ME 1 38 ASP H . . 5.500 4.811 3.854 5.519 0.019 13 0 "[ . 1 . 2]" 2
1293 1 82 PHE QD 1 87 VAL MG1 . . 5.500 4.690 4.241 5.607 0.107 4 0 "[ . 1 . 2]" 2
1294 1 83 CYS H 1 87 VAL MG1 . . 5.500 4.229 2.484 5.579 0.079 12 0 "[ . 1 . 2]" 2
1295 1 83 CYS H 1 87 VAL MG2 . . 5.500 4.302 3.656 5.252 . 0 0 "[ . 1 . 2]" 2
1296 1 82 PHE QD 1 87 VAL MG2 . . 5.500 4.722 3.870 5.624 0.124 17 0 "[ . 1 . 2]" 2
1297 1 37 LEU HA 1 37 LEU HG . . 3.760 2.782 2.302 3.767 0.007 2 0 "[ . 1 . 2]" 2
1298 1 32 TYR HB3 1 37 LEU HG . . 4.770 2.829 1.981 4.417 . 0 0 "[ . 1 . 2]" 2
1299 1 81 THR HA 1 88 MET QG . . 4.640 3.701 3.290 4.456 . 0 0 "[ . 1 . 2]" 2
1300 1 88 MET QG 1 90 SER H . . 5.150 5.013 4.182 5.166 0.016 10 0 "[ . 1 . 2]" 2
1301 1 23 PHE QE 1 49 TRP HD1 . . 5.050 3.946 3.077 4.946 . 0 0 "[ . 1 . 2]" 2
1302 1 39 ILE MG 1 49 TRP HZ2 . . 5.500 4.812 3.763 5.315 . 0 0 "[ . 1 . 2]" 2
1303 1 32 TYR HB3 1 49 TRP HZ2 . . 5.500 4.753 4.153 5.425 . 0 0 "[ . 1 . 2]" 2
1304 1 49 TRP HZ2 1 51 CYS HB2 . . 5.500 4.378 3.760 5.435 . 0 0 "[ . 1 . 2]" 2
1305 1 45 LYS HD3 1 49 TRP HD1 . . 5.500 3.374 2.125 4.183 . 0 0 "[ . 1 . 2]" 2
1306 1 79 TYR HB2 1 96 TRP HH2 . . 4.930 2.559 1.998 3.154 . 0 0 "[ . 1 . 2]" 2
1307 1 33 HIS H 1 36 CYS HB3 . . 5.290 3.970 3.518 4.420 . 0 0 "[ . 1 . 2]" 2
1308 1 33 HIS HB3 1 36 CYS HB2 . . 4.280 3.704 3.226 4.177 . 0 0 "[ . 1 . 2]" 2
1309 1 33 HIS HB2 1 36 CYS HB2 . . 4.280 2.124 1.956 2.478 . 0 0 "[ . 1 . 2]" 2
1310 1 39 ILE MD 1 49 TRP HD1 . . 5.500 4.622 3.787 5.503 0.003 9 0 "[ . 1 . 2]" 2
1311 1 24 PHE HZ 1 26 THR MG . . 5.340 4.836 3.943 5.360 0.020 18 0 "[ . 1 . 2]" 2
1312 1 69 MET HB3 1 80 HIS HD2 . . 4.910 3.731 3.486 4.246 . 0 0 "[ . 1 . 2]" 2
1313 1 8 ALA HA 1 9 ASN QB . . 5.080 4.681 4.272 5.046 . 0 0 "[ . 1 . 2]" 2
1314 1 9 ASN H 1 9 ASN QB . . 2.930 2.486 2.194 2.979 0.049 20 0 "[ . 1 . 2]" 2
1315 1 9 ASN H 1 9 ASN QD . . 4.680 4.140 3.171 4.634 . 0 0 "[ . 1 . 2]" 2
1316 1 9 ASN HA 1 10 CYS QB . . 4.610 4.270 4.127 4.381 . 0 0 "[ . 1 . 2]" 2
1317 1 9 ASN HA 1 19 LEU QD . . 4.610 4.102 3.562 4.523 . 0 0 "[ . 1 . 2]" 2
1318 1 9 ASN QB 1 9 ASN QD . . 3.040 2.150 2.065 2.222 . 0 0 "[ . 1 . 2]" 2
1319 1 9 ASN QB 1 10 CYS H . . 3.620 2.333 2.072 2.890 . 0 0 "[ . 1 . 2]" 2
1320 1 9 ASN QB 1 14 ASP H . . 4.410 4.378 4.119 4.464 0.054 14 0 "[ . 1 . 2]" 2
1321 1 9 ASN QB 1 14 ASP HA . . 3.330 2.664 2.130 2.994 . 0 0 "[ . 1 . 2]" 2
1322 1 9 ASN QB 1 15 SER H . . 3.950 3.216 2.888 3.513 . 0 0 "[ . 1 . 2]" 2
1323 1 9 ASN QD 1 14 ASP HA . . 4.410 4.094 2.848 4.425 0.015 18 0 "[ . 1 . 2]" 2
1324 1 10 CYS H 1 19 LEU QD . . 5.440 5.137 4.586 5.436 . 0 0 "[ . 1 . 2]" 2
1325 1 10 CYS HA 1 31 HIS QB . . 4.320 2.953 1.998 3.401 . 0 0 "[ . 1 . 2]" 2
1326 1 10 CYS QB 1 12 VAL H . . 4.600 3.047 2.826 3.310 . 0 0 "[ . 1 . 2]" 2
1327 1 10 CYS QB 1 13 CYS H . . 3.740 2.429 2.194 2.789 . 0 0 "[ . 1 . 2]" 2
1328 1 10 CYS QB 1 14 ASP H . . 4.040 2.112 1.859 3.132 . 0 0 "[ . 1 . 2]" 2
1329 1 10 CYS QB 1 15 SER H . . 3.460 2.071 1.864 2.203 . 0 0 "[ . 1 . 2]" 2
1330 1 10 CYS QB 1 32 TYR HA . . 5.030 3.962 3.697 4.285 . 0 0 "[ . 1 . 2]" 2
1331 1 10 CYS QB 1 33 HIS H . . 4.320 3.852 3.579 4.040 . 0 0 "[ . 1 . 2]" 2
1332 1 10 CYS QB 1 33 HIS HE1 . . 3.690 2.554 2.115 2.973 . 0 0 "[ . 1 . 2]" 2
1333 1 11 ALA H 1 30 GLN QB . . 5.280 4.308 3.968 4.828 . 0 0 "[ . 1 . 2]" 2
1334 1 11 ALA MB 1 30 GLN QB . . 3.520 3.023 2.348 3.463 . 0 0 "[ . 1 . 2]" 2
1335 1 11 ALA MB 1 30 GLN QG . . 3.900 3.554 3.332 3.928 0.028 15 0 "[ . 1 . 2]" 2
1336 1 12 VAL H 1 12 VAL QG . . 3.170 2.579 1.849 2.891 . 0 0 "[ . 1 . 2]" 2
1337 1 12 VAL HA 1 12 VAL QG . . 2.720 2.113 2.023 2.183 . 0 0 "[ . 1 . 2]" 2
1338 1 12 VAL QG 1 13 CYS H . . 3.360 3.064 2.114 3.363 0.003 4 0 "[ . 1 . 2]" 2
1339 1 12 VAL QG 1 13 CYS HA . . 4.200 3.666 3.375 4.102 . 0 0 "[ . 1 . 2]" 2
1340 1 12 VAL QG 1 13 CYS HB2 . . 4.960 4.602 4.353 4.841 . 0 0 "[ . 1 . 2]" 2
1341 1 12 VAL QG 1 13 CYS HB3 . . 3.820 3.338 2.896 3.598 . 0 0 "[ . 1 . 2]" 2
1342 1 12 VAL QG 1 14 ASP H . . 4.900 4.376 3.675 4.533 . 0 0 "[ . 1 . 2]" 2
1343 1 12 VAL QG 1 32 TYR HB3 . . 4.590 3.291 2.793 3.966 . 0 0 "[ . 1 . 2]" 2
1344 1 12 VAL QG 1 32 TYR QD . . 3.000 1.940 1.838 2.325 . 0 0 "[ . 1 . 2]" 2
1345 1 12 VAL QG 1 32 TYR QE . . 3.290 2.588 2.096 3.178 . 0 0 "[ . 1 . 2]" 2
1346 1 12 VAL QG 1 36 CYS HA . . 3.920 3.323 3.093 3.802 . 0 0 "[ . 1 . 2]" 2
1347 1 12 VAL QG 1 36 CYS HB2 . . 3.550 3.260 2.361 3.610 0.060 18 0 "[ . 1 . 2]" 2
1348 1 12 VAL QG 1 36 CYS HB3 . . 2.980 2.120 1.770 2.377 . 0 0 "[ . 1 . 2]" 2
1349 1 12 VAL QG 1 37 LEU QD . . 3.080 2.441 1.789 2.982 . 0 0 "[ . 1 . 2]" 2
1350 1 14 ASP H 1 14 ASP QB . . 3.420 3.075 2.722 3.428 0.008 16 0 "[ . 1 . 2]" 2
1351 1 14 ASP QB 1 15 SER H . . 4.050 3.943 3.878 4.057 0.007 10 0 "[ . 1 . 2]" 2
1352 1 15 SER HA 1 16 PRO QG . . 4.060 3.904 3.773 3.977 . 0 0 "[ . 1 . 2]" 2
1353 1 15 SER QB 1 16 PRO QG . . 4.660 4.119 3.651 4.585 . 0 0 "[ . 1 . 2]" 2
1354 1 16 PRO HA 1 19 LEU QD . . 4.170 3.108 2.539 3.542 . 0 0 "[ . 1 . 2]" 2
1355 1 16 PRO HB2 1 19 LEU QD . . 3.950 3.316 2.766 3.968 0.018 15 0 "[ . 1 . 2]" 2
1356 1 16 PRO HB3 1 19 LEU QD . . 4.570 3.723 3.307 4.106 . 0 0 "[ . 1 . 2]" 2
1357 1 17 GLY QA 1 33 HIS HE1 . . 4.340 3.833 2.566 4.375 0.035 9 0 "[ . 1 . 2]" 2
1358 1 18 ASP QB 1 19 LEU H . . 3.990 3.323 2.898 3.904 . 0 0 "[ . 1 . 2]" 2
1359 1 18 ASP QB 1 33 HIS HD2 . . 4.360 3.453 2.191 4.064 . 0 0 "[ . 1 . 2]" 2
1360 1 19 LEU H 1 19 LEU QB . . 3.380 2.244 2.148 2.395 . 0 0 "[ . 1 . 2]" 2
1361 1 19 LEU H 1 19 LEU QD . . 3.930 2.466 1.945 3.535 . 0 0 "[ . 1 . 2]" 2
1362 1 19 LEU HA 1 19 LEU QD . . 3.190 2.152 1.890 2.760 . 0 0 "[ . 1 . 2]" 2
1363 1 19 LEU HA 1 22 GLN QG . . 3.390 2.260 1.964 2.595 . 0 0 "[ . 1 . 2]" 2
1364 1 19 LEU QB 1 19 LEU QD . . 2.830 1.962 1.804 2.071 . 0 0 "[ . 1 . 2]" 2
1365 1 19 LEU QD 1 22 GLN QG . . 3.970 3.317 2.838 3.949 . 0 0 "[ . 1 . 2]" 2
1366 1 19 LEU MD2 1 22 GLN HG3 . . 6.290 4.761 3.638 5.948 . 0 0 "[ . 1 . 2]" 2
1367 1 19 LEU QD 1 22 GLN QE . . 4.320 2.538 1.660 4.295 . 0 0 "[ . 1 . 2]" 2
1368 1 19 LEU QD 1 31 HIS QB . . 4.620 3.775 3.187 4.608 . 0 0 "[ . 1 . 2]" 2
1369 1 20 LEU H 1 20 LEU QB . . 3.120 2.250 2.079 2.451 . 0 0 "[ . 1 . 2]" 2
1370 1 20 LEU H 1 20 LEU QD . . 3.510 2.782 1.881 3.702 0.192 19 0 "[ . 1 . 2]" 2
1371 1 20 LEU HA 1 20 LEU QD . . 2.770 2.264 1.908 2.735 . 0 0 "[ . 1 . 2]" 2
1372 1 20 LEU QB 1 20 LEU QD . . 2.610 1.917 1.767 2.047 . 0 0 "[ . 1 . 2]" 2
1373 1 20 LEU QB 1 21 ASP H . . 4.210 2.619 2.292 2.933 . 0 0 "[ . 1 . 2]" 2
1374 1 20 LEU QD 1 21 ASP H . . 4.840 3.942 3.322 4.233 . 0 0 "[ . 1 . 2]" 2
1375 1 21 ASP QB 1 22 GLN H . . 4.240 2.689 2.330 3.860 . 0 0 "[ . 1 . 2]" 2
1376 1 21 ASP QB 1 33 HIS HD2 . . 3.990 3.452 2.528 4.026 0.036 15 0 "[ . 1 . 2]" 2
1377 1 22 GLN H 1 22 GLN QB . . 3.120 2.578 2.369 2.738 . 0 0 "[ . 1 . 2]" 2
1378 1 22 GLN H 1 22 GLN QG . . 3.430 2.164 1.845 3.270 . 0 0 "[ . 1 . 2]" 2
1379 1 22 GLN H 1 41 VAL QG . . 5.440 5.203 4.700 5.470 0.030 11 0 "[ . 1 . 2]" 2
1380 1 22 GLN HA 1 22 GLN QG . . 3.510 3.173 2.171 3.457 . 0 0 "[ . 1 . 2]" 2
1381 1 22 GLN HA 1 41 VAL QG . . 4.900 4.489 3.851 4.934 0.034 20 0 "[ . 1 . 2]" 2
1382 1 22 GLN QG 1 23 PHE H . . 5.340 3.867 3.389 4.232 . 0 0 "[ . 1 . 2]" 2
1383 1 22 GLN QG 1 32 TYR H . . 5.340 3.637 2.953 4.223 . 0 0 "[ . 1 . 2]" 2
1384 1 22 GLN QG 1 33 HIS HA . . 4.400 3.836 2.207 4.241 . 0 0 "[ . 1 . 2]" 2
1385 1 22 GLN QG 1 33 HIS HD2 . . 3.780 3.076 1.924 3.760 . 0 0 "[ . 1 . 2]" 2
1386 1 23 PHE QB 1 24 PHE H . . 3.870 2.457 2.175 2.984 . 0 0 "[ . 1 . 2]" 2
1387 1 23 PHE QB 1 32 TYR H . . 4.020 3.820 3.171 4.041 0.021 17 0 "[ . 1 . 2]" 2
1388 1 23 PHE QB 1 32 TYR HB2 . . 4.750 3.561 2.594 4.141 . 0 0 "[ . 1 . 2]" 2
1389 1 23 PHE QD 1 37 LEU QD . . 5.440 4.145 3.345 5.141 . 0 0 "[ . 1 . 2]" 2
1390 1 23 PHE QD 1 41 VAL QG . . 4.820 4.043 3.321 4.219 . 0 0 "[ . 1 . 2]" 2
1391 1 23 PHE QD 1 46 ARG QG . . 4.740 3.547 2.768 4.490 . 0 0 "[ . 1 . 2]" 2
1392 1 23 PHE QE 1 39 ILE QG . . 5.090 4.697 4.105 5.100 0.010 3 0 "[ . 1 . 2]" 2
1393 1 23 PHE QE 1 41 VAL QG . . 3.530 2.703 2.165 2.964 . 0 0 "[ . 1 . 2]" 2
1394 1 23 PHE QE 1 46 ARG QG . . 4.430 2.774 2.339 3.734 . 0 0 "[ . 1 . 2]" 2
1395 1 23 PHE HZ 1 41 VAL QG . . 3.730 2.756 2.180 3.015 . 0 0 "[ . 1 . 2]" 2
1396 1 23 PHE HZ 1 45 LYS QB . . 4.190 3.466 2.903 4.090 . 0 0 "[ . 1 . 2]" 2
1397 1 24 PHE HZ 1 29 GLY QA . . 4.200 3.264 2.740 3.854 . 0 0 "[ . 1 . 2]" 2
1398 1 25 CYS H 1 29 GLY QA . . 5.270 3.656 3.110 4.299 . 0 0 "[ . 1 . 2]" 2
1399 1 27 THR H 1 50 GLN QG . . 4.430 3.786 3.074 4.182 . 0 0 "[ . 1 . 2]" 2
1400 1 27 THR HB 1 50 GLN QG . . 4.960 4.644 3.307 4.973 0.013 7 0 "[ . 1 . 2]" 2
1401 1 30 GLN H 1 30 GLN QB . . 3.210 2.305 2.219 2.397 . 0 0 "[ . 1 . 2]" 2
1402 1 30 GLN H 1 30 GLN QG . . 3.570 2.981 2.670 3.210 . 0 0 "[ . 1 . 2]" 2
1403 1 30 GLN QB 1 30 GLN HE21 . . 4.030 2.564 1.966 3.409 . 0 0 "[ . 1 . 2]" 2
1404 1 30 GLN QB 1 32 TYR QE . . 3.500 1.905 1.811 2.000 . 0 0 "[ . 1 . 2]" 2
1405 1 30 GLN QG 1 32 TYR QE . . 3.840 3.480 3.265 3.708 . 0 0 "[ . 1 . 2]" 2
1406 1 31 HIS H 1 31 HIS QB . . 3.330 2.667 2.481 2.835 . 0 0 "[ . 1 . 2]" 2
1407 1 31 HIS QB 1 32 TYR H . . 3.540 2.823 2.555 3.106 . 0 0 "[ . 1 . 2]" 2
1408 1 32 TYR H 1 37 LEU QD . . 4.920 4.667 4.472 4.912 . 0 0 "[ . 1 . 2]" 2
1409 1 32 TYR HA 1 37 LEU QD . . 4.830 3.791 3.167 4.118 . 0 0 "[ . 1 . 2]" 2
1410 1 32 TYR HB2 1 37 LEU QB . . 5.340 4.276 3.708 4.641 . 0 0 "[ . 1 . 2]" 2
1411 1 32 TYR HB2 1 37 LEU QD . . 3.870 2.405 1.967 3.258 . 0 0 "[ . 1 . 2]" 2
1412 1 32 TYR HB3 1 37 LEU QB . . 4.880 3.509 3.210 3.959 . 0 0 "[ . 1 . 2]" 2
1413 1 32 TYR HB3 1 37 LEU QD . . 3.510 1.917 1.707 2.210 . 0 0 "[ . 1 . 2]" 2
1414 1 32 TYR QD 1 37 LEU QB . . 5.340 4.665 4.175 5.138 . 0 0 "[ . 1 . 2]" 2
1415 1 32 TYR QD 1 37 LEU QD . . 3.220 2.403 1.919 3.018 . 0 0 "[ . 1 . 2]" 2
1416 1 32 TYR QE 1 37 LEU QD . . 3.990 3.583 3.313 3.942 . 0 0 "[ . 1 . 2]" 2
1417 1 32 TYR QE 1 52 PRO QD . . 4.770 3.924 3.664 4.232 . 0 0 "[ . 1 . 2]" 2
1418 1 33 HIS QB 1 34 GLY H . . 3.790 2.654 2.308 2.989 . 0 0 "[ . 1 . 2]" 2
1419 1 33 HIS QB 1 35 MET H . . 4.460 2.520 2.335 2.737 . 0 0 "[ . 1 . 2]" 2
1420 1 33 HIS QB 1 36 CYS HB2 . . 3.740 2.112 1.944 2.460 . 0 0 "[ . 1 . 2]" 2
1421 1 33 HIS QB 1 36 CYS HB3 . . 4.090 3.687 3.473 4.064 . 0 0 "[ . 1 . 2]" 2
1422 1 34 GLY H 1 41 VAL QG . . 4.190 3.880 3.472 4.204 0.014 9 0 "[ . 1 . 2]" 2
1423 1 34 GLY HA2 1 37 LEU QB . . 4.550 3.672 3.328 3.881 . 0 0 "[ . 1 . 2]" 2
1424 1 34 GLY HA2 1 37 LEU QD . . 4.940 4.491 4.166 4.782 . 0 0 "[ . 1 . 2]" 2
1425 1 34 GLY HA2 1 39 ILE QG . . 4.430 4.145 3.641 4.457 0.027 9 0 "[ . 1 . 2]" 2
1426 1 34 GLY HA2 1 41 VAL QG . . 4.680 3.684 3.224 4.448 . 0 0 "[ . 1 . 2]" 2
1427 1 34 GLY HA3 1 41 VAL QG . . 3.600 2.802 2.316 3.437 . 0 0 "[ . 1 . 2]" 2
1428 1 35 MET H 1 35 MET QG . . 4.150 3.184 1.890 4.102 . 0 0 "[ . 1 . 2]" 2
1429 1 35 MET QB 1 36 CYS H . . 3.760 2.709 2.383 3.574 . 0 0 "[ . 1 . 2]" 2
1430 1 35 MET QG 1 36 CYS H . . 4.500 3.561 1.970 4.444 . 0 0 "[ . 1 . 2]" 2
1431 1 37 LEU H 1 37 LEU QB . . 3.030 2.280 2.189 2.434 . 0 0 "[ . 1 . 2]" 2
1432 1 37 LEU H 1 37 LEU QD . . 3.890 3.414 2.404 3.680 . 0 0 "[ . 1 . 2]" 2
1433 1 37 LEU HA 1 37 LEU QD . . 2.840 2.148 1.949 2.866 0.026 7 0 "[ . 1 . 2]" 2
1434 1 37 LEU QB 1 37 LEU QD . . 2.660 1.905 1.787 2.048 . 0 0 "[ . 1 . 2]" 2
1435 1 37 LEU QB 1 38 ASP H . . 4.000 3.262 2.993 3.508 . 0 0 "[ . 1 . 2]" 2
1436 1 37 LEU QB 1 39 ILE H . . 3.930 3.284 3.117 3.398 . 0 0 "[ . 1 . 2]" 2
1437 1 37 LEU QB 1 39 ILE QG . . 3.850 2.034 1.938 2.133 . 0 0 "[ . 1 . 2]" 2
1438 1 37 LEU QB 1 39 ILE MD . . 3.450 2.125 1.891 2.368 . 0 0 "[ . 1 . 2]" 2
1439 1 37 LEU QD 1 38 ASP H . . 4.570 4.320 3.819 4.475 . 0 0 "[ . 1 . 2]" 2
1440 1 37 LEU QD 1 39 ILE H . . 5.440 4.599 4.452 4.719 . 0 0 "[ . 1 . 2]" 2
1441 1 37 LEU QD 1 49 TRP HZ2 . . 3.480 2.688 2.140 3.299 . 0 0 "[ . 1 . 2]" 2
1442 1 37 LEU QD 1 49 TRP HH2 . . 3.680 3.093 2.535 3.692 0.012 9 0 "[ . 1 . 2]" 2
1443 1 37 LEU QD 1 51 CYS HA . . 4.710 4.004 3.656 4.391 . 0 0 "[ . 1 . 2]" 2
1444 1 37 LEU QD 1 52 PRO QG . . 3.330 2.289 1.927 2.619 . 0 0 "[ . 1 . 2]" 2
1445 1 37 LEU QD 1 52 PRO QD . . 3.690 2.581 2.209 2.834 . 0 0 "[ . 1 . 2]" 2
1446 1 37 LEU QD 1 53 GLU H . . 5.440 5.201 4.978 5.405 . 0 0 "[ . 1 . 2]" 2
1447 1 38 ASP H 1 38 ASP QB . . 3.470 3.263 2.899 3.482 0.012 16 0 "[ . 1 . 2]" 2
1448 1 39 ILE H 1 39 ILE QG . . 3.430 2.526 2.343 2.673 . 0 0 "[ . 1 . 2]" 2
1449 1 39 ILE HA 1 39 ILE QG . . 3.460 2.440 2.345 2.490 . 0 0 "[ . 1 . 2]" 2
1450 1 39 ILE QG 1 39 ILE MG . . 3.270 2.282 2.191 2.389 . 0 0 "[ . 1 . 2]" 2
1451 1 39 ILE MG 1 45 LYS QE . . 4.900 3.044 1.877 3.713 . 0 0 "[ . 1 . 2]" 2
1452 1 39 ILE QG 1 40 ALA H . . 4.530 4.031 3.905 4.184 . 0 0 "[ . 1 . 2]" 2
1453 1 40 ALA HA 1 41 VAL QG . . 3.780 3.668 3.488 3.734 . 0 0 "[ . 1 . 2]" 2
1454 1 40 ALA MB 1 41 VAL QG . . 4.690 4.363 4.023 4.430 . 0 0 "[ . 1 . 2]" 2
1455 1 41 VAL H 1 41 VAL QG . . 3.220 1.989 1.872 2.184 . 0 0 "[ . 1 . 2]" 2
1456 1 41 VAL HA 1 41 VAL QG . . 2.890 2.115 2.068 2.337 . 0 0 "[ . 1 . 2]" 2
1457 1 41 VAL HA 1 45 LYS QB . . 4.460 4.157 3.602 4.453 . 0 0 "[ . 1 . 2]" 2
1458 1 41 VAL QG 1 42 THR H . . 3.720 2.772 2.422 3.218 . 0 0 "[ . 1 . 2]" 2
1459 1 41 VAL QG 1 45 LYS QB . . 4.540 4.370 3.678 4.611 0.071 7 0 "[ . 1 . 2]" 2
1460 1 41 VAL QG 1 46 ARG HA . . 4.960 4.894 4.457 4.977 0.017 18 0 "[ . 1 . 2]" 2
1461 1 41 VAL QG 1 46 ARG QG . . 3.380 2.773 2.516 2.989 . 0 0 "[ . 1 . 2]" 2
1462 1 41 VAL QG 1 46 ARG QD . . 3.730 2.706 1.984 3.570 . 0 0 "[ . 1 . 2]" 2
1463 1 42 THR H 1 45 LYS QB . . 4.650 2.974 2.537 3.250 . 0 0 "[ . 1 . 2]" 2
1464 1 42 THR MG 1 45 LYS QB . . 4.710 3.602 1.873 4.673 . 0 0 "[ . 1 . 2]" 2
1465 1 42 THR MG 1 45 LYS QE . . 3.560 2.802 1.891 3.576 0.016 5 0 "[ . 1 . 2]" 2
1466 1 43 PRO HA 1 46 ARG QG . . 4.180 3.774 3.430 4.183 0.003 13 0 "[ . 1 . 2]" 2
1467 1 43 PRO HA 1 46 ARG QD . . 3.810 2.666 1.961 3.785 . 0 0 "[ . 1 . 2]" 2
1468 1 43 PRO QB 1 44 LEU H . . 3.930 3.706 3.552 3.801 . 0 0 "[ . 1 . 2]" 2
1469 1 44 LEU H 1 44 LEU QD . . 3.890 3.770 3.539 3.843 . 0 0 "[ . 1 . 2]" 2
1470 1 44 LEU H 1 45 LYS QB . . 5.340 4.031 3.744 4.290 . 0 0 "[ . 1 . 2]" 2
1471 1 44 LEU HA 1 44 LEU QD . . 2.850 2.364 1.873 2.748 . 0 0 "[ . 1 . 2]" 2
1472 1 44 LEU QB 1 44 LEU QD . . 2.690 1.902 1.824 2.075 . 0 0 "[ . 1 . 2]" 2
1473 1 44 LEU QB 1 45 LYS H . . 3.950 2.483 2.191 3.064 . 0 0 "[ . 1 . 2]" 2
1474 1 44 LEU QB 1 75 CYS QB . . 5.180 4.795 3.648 5.206 0.026 9 0 "[ . 1 . 2]" 2
1475 1 44 LEU QD 1 45 LYS H . . 4.770 3.576 2.927 4.055 . 0 0 "[ . 1 . 2]" 2
1476 1 44 LEU QD 1 74 THR HB . . 4.700 3.861 3.506 4.693 . 0 0 "[ . 1 . 2]" 2
1477 1 44 LEU QD 1 74 THR MG . . 3.060 2.016 1.654 3.046 . 0 0 "[ . 1 . 2]" 2
1478 1 44 LEU QD 1 75 CYS H . . 4.980 3.698 3.062 4.668 . 0 0 "[ . 1 . 2]" 2
1479 1 44 LEU QD 1 75 CYS HA . . 4.010 2.385 1.824 3.902 . 0 0 "[ . 1 . 2]" 2
1480 1 44 LEU QD 1 75 CYS QB . . 3.350 2.585 1.739 3.352 0.002 9 0 "[ . 1 . 2]" 2
1481 1 45 LYS H 1 45 LYS QB . . 3.500 2.275 2.114 2.532 . 0 0 "[ . 1 . 2]" 2
1482 1 45 LYS H 1 45 LYS QG . . 4.030 2.877 1.992 3.960 . 0 0 "[ . 1 . 2]" 2
1483 1 45 LYS QB 1 45 LYS QE . . 3.900 3.003 1.928 3.640 . 0 0 "[ . 1 . 2]" 2
1484 1 45 LYS QB 1 49 TRP HD1 . . 5.340 2.618 1.977 4.026 . 0 0 "[ . 1 . 2]" 2
1485 1 45 LYS QE 1 45 LYS QG . . 3.170 2.135 2.025 2.355 . 0 0 "[ . 1 . 2]" 2
1486 1 45 LYS QG 1 75 CYS HA . . 4.400 3.080 2.437 3.870 . 0 0 "[ . 1 . 2]" 2
1487 1 45 LYS QG 1 76 ASP QB . . 3.650 2.421 1.915 2.931 . 0 0 "[ . 1 . 2]" 2
1488 1 45 LYS HD2 1 76 ASP QB . . 4.290 3.908 3.428 4.303 0.013 16 0 "[ . 1 . 2]" 2
1489 1 45 LYS QE 1 74 THR HA . . 4.020 3.363 2.774 3.803 . 0 0 "[ . 1 . 2]" 2
1490 1 45 LYS QE 1 74 THR MG . . 4.770 4.338 3.854 4.793 0.023 20 0 "[ . 1 . 2]" 2
1491 1 46 ARG H 1 46 ARG QG . . 3.760 2.177 1.945 2.413 . 0 0 "[ . 1 . 2]" 2
1492 1 46 ARG HA 1 46 ARG QG . . 3.470 2.383 2.252 2.494 . 0 0 "[ . 1 . 2]" 2
1493 1 46 ARG HA 1 46 ARG QD . . 4.500 4.123 3.962 4.219 . 0 0 "[ . 1 . 2]" 2
1494 1 46 ARG HB2 1 46 ARG QD . . 3.560 2.385 2.140 3.013 . 0 0 "[ . 1 . 2]" 2
1495 1 49 TRP HD1 1 76 ASP QB . . 3.880 3.572 3.053 3.859 . 0 0 "[ . 1 . 2]" 2
1496 1 49 TRP HE1 1 76 ASP QB . . 4.010 3.851 3.234 4.035 0.025 13 0 "[ . 1 . 2]" 2
1497 1 49 TRP HZ3 1 52 PRO QD . . 5.350 4.761 4.256 5.260 . 0 0 "[ . 1 . 2]" 2
1498 1 49 TRP HZ2 1 52 PRO QD . . 4.330 2.766 2.319 3.627 . 0 0 "[ . 1 . 2]" 2
1499 1 49 TRP HH2 1 52 PRO QD . . 4.630 3.039 2.617 3.514 . 0 0 "[ . 1 . 2]" 2
1500 1 50 GLN H 1 50 GLN QB . . 3.520 2.530 2.316 2.771 . 0 0 "[ . 1 . 2]" 2
1501 1 50 GLN H 1 50 GLN QG . . 3.990 3.586 3.353 4.062 0.072 15 0 "[ . 1 . 2]" 2
1502 1 50 GLN HA 1 50 GLN QG . . 3.650 2.156 2.105 2.246 . 0 0 "[ . 1 . 2]" 2
1503 1 50 GLN QB 1 50 GLN HE22 . . 4.670 3.511 3.314 4.093 . 0 0 "[ . 1 . 2]" 2
1504 1 50 GLN QB 1 51 CYS H . . 3.870 3.348 2.988 3.688 . 0 0 "[ . 1 . 2]" 2
1505 1 50 GLN QB 1 54 CYS H . . 4.900 4.789 4.513 5.018 0.118 17 0 "[ . 1 . 2]" 2
1506 1 50 GLN QB 1 54 CYS HB2 . . 4.560 3.991 3.674 4.306 . 0 0 "[ . 1 . 2]" 2
1507 1 50 GLN QB 1 55 LYS H . . 5.340 3.400 2.802 4.024 . 0 0 "[ . 1 . 2]" 2
1508 1 50 GLN QB 1 55 LYS HA . . 3.890 2.862 2.369 3.237 . 0 0 "[ . 1 . 2]" 2
1509 1 50 GLN QG 1 51 CYS H . . 4.520 3.660 2.950 3.961 . 0 0 "[ . 1 . 2]" 2
1510 1 50 GLN QG 1 55 LYS HA . . 5.300 4.190 3.023 4.624 . 0 0 "[ . 1 . 2]" 2
1511 1 51 CYS HA 1 52 PRO QG . . 4.560 4.034 4.016 4.053 . 0 0 "[ . 1 . 2]" 2
1512 1 51 CYS HA 1 52 PRO QD . . 3.010 2.120 2.103 2.138 . 0 0 "[ . 1 . 2]" 2
1513 1 51 CYS HB3 1 52 PRO QD . . 3.760 3.406 3.363 3.443 . 0 0 "[ . 1 . 2]" 2
1514 1 52 PRO HA 1 55 LYS QG . . 4.790 3.175 1.983 4.410 . 0 0 "[ . 1 . 2]" 2
1515 1 52 PRO HA 1 55 LYS QD . . 4.350 2.762 1.886 4.148 . 0 0 "[ . 1 . 2]" 2
1516 1 52 PRO HA 1 55 LYS QE . . 4.230 3.637 2.501 4.232 0.002 8 0 "[ . 1 . 2]" 2
1517 1 52 PRO QB 1 53 GLU H . . 3.830 3.613 3.512 3.677 . 0 0 "[ . 1 . 2]" 2
1518 1 52 PRO QD 1 53 GLU H . . 3.890 2.812 2.713 2.884 . 0 0 "[ . 1 . 2]" 2
1519 1 53 GLU H 1 53 GLU QG . . 3.200 2.407 2.205 2.658 . 0 0 "[ . 1 . 2]" 2
1520 1 53 GLU HA 1 53 GLU QG . . 3.240 2.634 2.339 2.827 . 0 0 "[ . 1 . 2]" 2
1521 1 53 GLU QG 1 54 CYS H . . 4.420 4.103 3.984 4.319 . 0 0 "[ . 1 . 2]" 2
1522 1 55 LYS H 1 55 LYS QG . . 3.880 3.355 2.535 3.950 0.070 1 0 "[ . 1 . 2]" 2
1523 1 55 LYS H 1 55 LYS QD . . 4.560 4.237 3.823 4.600 0.040 13 0 "[ . 1 . 2]" 2
1524 1 55 LYS HA 1 55 LYS QG . . 3.700 2.990 2.587 3.322 . 0 0 "[ . 1 . 2]" 2
1525 1 55 LYS HB2 1 55 LYS QE . . 4.730 3.212 2.036 4.161 . 0 0 "[ . 1 . 2]" 2
1526 1 55 LYS HB3 1 55 LYS QE . . 4.610 3.426 2.278 4.288 . 0 0 "[ . 1 . 2]" 2
1527 1 55 LYS QG 1 56 VAL H . . 4.140 2.979 2.240 3.605 . 0 0 "[ . 1 . 2]" 2
1528 1 55 LYS QG 1 69 MET ME . . 3.570 3.154 2.815 3.474 . 0 0 "[ . 1 . 2]" 2
1529 1 55 LYS QG 1 71 VAL QG . . 4.850 4.160 3.847 4.403 . 0 0 "[ . 1 . 2]" 2
1530 1 55 LYS QD 1 71 VAL QG . . 3.640 3.064 2.485 3.590 . 0 0 "[ . 1 . 2]" 2
1531 1 55 LYS QE 1 71 VAL QG . . 3.160 2.226 1.801 3.191 0.031 1 0 "[ . 1 . 2]" 2
1532 1 56 VAL HA 1 63 SER QB . . 3.710 3.397 2.628 3.748 0.038 4 0 "[ . 1 . 2]" 2
1533 1 56 VAL HB 1 63 SER QB . . 4.530 2.866 2.240 3.377 . 0 0 "[ . 1 . 2]" 2
1534 1 56 VAL MG2 1 58 GLN QE . . 3.730 2.928 2.646 3.449 . 0 0 "[ . 1 . 2]" 2
1535 1 56 VAL MG2 1 61 LYS QB . . 4.180 3.731 3.112 4.221 0.041 13 0 "[ . 1 . 2]" 2
1536 1 56 VAL MG2 1 61 LYS QD . . 3.940 3.247 2.545 3.961 0.021 18 0 "[ . 1 . 2]" 2
1537 1 56 VAL MG2 1 63 SER QB . . 4.390 3.905 3.648 4.363 . 0 0 "[ . 1 . 2]" 2
1538 1 58 GLN HA 1 61 LYS QD . . 3.820 2.342 1.980 2.766 . 0 0 "[ . 1 . 2]" 2
1539 1 58 GLN HG2 1 61 LYS QD . . 5.340 4.662 4.323 5.254 . 0 0 "[ . 1 . 2]" 2
1540 1 58 GLN HG2 1 77 LYS QB . . 4.610 3.797 2.651 4.625 0.015 19 0 "[ . 1 . 2]" 2
1541 1 58 GLN HG3 1 77 LYS QB . . 4.540 3.523 2.172 4.418 . 0 0 "[ . 1 . 2]" 2
1542 1 58 GLN HG3 1 77 LYS QD . . 5.340 2.961 1.969 4.799 . 0 0 "[ . 1 . 2]" 2
1543 1 58 GLN QE 1 61 LYS QD . . 4.600 3.408 2.602 4.136 . 0 0 "[ . 1 . 2]" 2
1544 1 59 ASN H 1 59 ASN QB . . 3.050 2.446 2.206 2.673 . 0 0 "[ . 1 . 2]" 2
1545 1 59 ASN H 1 59 ASN QD . . 4.670 3.241 2.270 4.183 . 0 0 "[ . 1 . 2]" 2
1546 1 59 ASN QB 1 60 CYS H . . 3.320 2.413 2.122 2.772 . 0 0 "[ . 1 . 2]" 2
1547 1 59 ASN QB 1 79 TYR QD . . 4.410 3.903 2.393 4.440 0.030 2 0 "[ . 1 . 2]" 2
1548 1 59 ASN QB 1 83 CYS HB2 . . 4.440 3.338 3.036 3.611 . 0 0 "[ . 1 . 2]" 2
1549 1 59 ASN QD 1 79 TYR QD . . 4.160 2.355 1.823 3.510 . 0 0 "[ . 1 . 2]" 2
1550 1 59 ASN QD 1 79 TYR QE . . 4.530 3.530 2.737 4.348 . 0 0 "[ . 1 . 2]" 2
1551 1 59 ASN QD 1 83 CYS HB3 . . 4.140 3.022 1.897 3.927 . 0 0 "[ . 1 . 2]" 2
1552 1 59 ASN QD 1 84 LEU HA . . 5.130 3.745 3.050 4.353 . 0 0 "[ . 1 . 2]" 2
1553 1 59 ASN QD 1 84 LEU MD2 . . 3.900 3.130 2.488 3.600 . 0 0 "[ . 1 . 2]" 2
1554 1 60 CYS H 1 60 CYS QB . . 3.450 2.759 2.623 2.988 . 0 0 "[ . 1 . 2]" 2
1555 1 60 CYS QB 1 62 GLN QG . . 3.980 3.265 2.730 3.850 . 0 0 "[ . 1 . 2]" 2
1556 1 61 LYS H 1 61 LYS QG . . 3.810 2.817 2.426 3.701 . 0 0 "[ . 1 . 2]" 2
1557 1 61 LYS H 1 61 LYS QD . . 3.850 3.352 2.088 3.824 . 0 0 "[ . 1 . 2]" 2
1558 1 61 LYS HA 1 61 LYS QD . . 3.230 2.382 1.968 2.823 . 0 0 "[ . 1 . 2]" 2
1559 1 61 LYS QB 1 61 LYS QD . . 3.190 2.268 2.022 2.538 . 0 0 "[ . 1 . 2]" 2
1560 1 61 LYS QG 1 62 GLN H . . 5.100 4.674 4.566 4.811 . 0 0 "[ . 1 . 2]" 2
1561 1 63 SER H 1 63 SER QB . . 3.180 2.514 2.158 3.115 . 0 0 "[ . 1 . 2]" 2
1562 1 64 GLY QA 1 66 ASP H . . 5.340 4.393 3.506 5.159 . 0 0 "[ . 1 . 2]" 2
1563 1 65 GLU H 1 65 GLU QB . . 3.680 2.482 2.205 3.260 . 0 0 "[ . 1 . 2]" 2
1564 1 65 GLU QB 1 66 ASP H . . 4.200 3.695 3.336 3.907 . 0 0 "[ . 1 . 2]" 2
1565 1 65 GLU QB 1 68 LYS QB . . 3.650 2.239 1.845 2.623 . 0 0 "[ . 1 . 2]" 2
1566 1 65 GLU QB 1 68 LYS QG . . 4.360 3.274 2.332 4.213 . 0 0 "[ . 1 . 2]" 2
1567 1 65 GLU QB 1 68 LYS QD . . 4.240 3.142 2.388 4.234 . 0 0 "[ . 1 . 2]" 2
1568 1 65 GLU QB 1 68 LYS QE . . 4.590 4.145 2.102 4.600 0.010 1 0 "[ . 1 . 2]" 2
1569 1 65 GLU QB 1 80 HIS HD2 . . 4.510 3.456 2.127 4.303 . 0 0 "[ . 1 . 2]" 2
1570 1 65 GLU QB 1 82 PHE HZ . . 4.210 3.190 2.006 4.211 0.001 19 0 "[ . 1 . 2]" 2
1571 1 65 GLU QG 1 68 LYS QG . . 4.480 4.081 2.635 4.474 . 0 0 "[ . 1 . 2]" 2
1572 1 66 ASP H 1 66 ASP QB . . 3.230 2.497 2.162 2.918 . 0 0 "[ . 1 . 2]" 2
1573 1 67 SER QB 1 68 LYS H . . 4.180 2.437 2.070 3.333 . 0 0 "[ . 1 . 2]" 2
1574 1 68 LYS H 1 68 LYS QB . . 3.380 2.443 2.286 2.605 . 0 0 "[ . 1 . 2]" 2
1575 1 68 LYS HA 1 68 LYS QG . . 3.350 2.450 2.250 2.769 . 0 0 "[ . 1 . 2]" 2
1576 1 68 LYS HA 1 70 LEU QD . . 5.440 4.710 4.156 5.204 . 0 0 "[ . 1 . 2]" 2
1577 1 68 LYS QB 1 68 LYS QE . . 4.570 3.320 2.260 3.667 . 0 0 "[ . 1 . 2]" 2
1578 1 68 LYS QB 1 81 THR H . . 4.010 3.209 2.870 3.647 . 0 0 "[ . 1 . 2]" 2
1579 1 68 LYS QB 1 81 THR MG . . 3.900 3.211 2.646 3.875 . 0 0 "[ . 1 . 2]" 2
1580 1 68 LYS QB 1 82 PHE QE . . 4.380 2.906 1.961 4.135 . 0 0 "[ . 1 . 2]" 2
1581 1 68 LYS QB 1 91 VAL MG2 . . 5.340 4.472 3.692 5.137 . 0 0 "[ . 1 . 2]" 2
1582 1 69 MET H 1 69 MET QB . . 3.600 2.317 2.223 2.589 . 0 0 "[ . 1 . 2]" 2
1583 1 69 MET QB 1 69 MET ME . . 3.080 2.998 2.668 3.236 0.156 13 0 "[ . 1 . 2]" 2
1584 1 69 MET QB 1 70 LEU H . . 4.010 3.796 3.521 3.978 . 0 0 "[ . 1 . 2]" 2
1585 1 69 MET QB 1 71 VAL QG . . 4.850 3.746 3.301 4.179 . 0 0 "[ . 1 . 2]" 2
1586 1 69 MET QB 1 79 TYR H . . 5.340 4.681 4.145 5.090 . 0 0 "[ . 1 . 2]" 2
1587 1 69 MET QG 1 71 VAL QG . . 3.850 2.954 2.462 3.680 . 0 0 "[ . 1 . 2]" 2
1588 1 70 LEU H 1 70 LEU QB . . 3.550 2.349 2.188 2.561 . 0 0 "[ . 1 . 2]" 2
1589 1 70 LEU H 1 71 VAL QG . . 5.250 4.570 4.345 4.755 . 0 0 "[ . 1 . 2]" 2
1590 1 70 LEU HA 1 70 LEU QD . . 3.110 2.348 1.946 3.058 . 0 0 "[ . 1 . 2]" 2
1591 1 70 LEU HA 1 71 VAL QG . . 4.240 3.653 3.353 3.868 . 0 0 "[ . 1 . 2]" 2
1592 1 70 LEU QB 1 71 VAL H . . 3.580 3.255 2.682 3.676 0.096 4 0 "[ . 1 . 2]" 2
1593 1 70 LEU QB 1 79 TYR H . . 4.110 3.481 2.993 3.871 . 0 0 "[ . 1 . 2]" 2
1594 1 70 LEU QB 1 96 TRP HE3 . . 4.550 3.191 2.400 3.734 . 0 0 "[ . 1 . 2]" 2
1595 1 70 LEU QB 1 96 TRP HZ2 . . 5.340 3.828 2.661 4.652 . 0 0 "[ . 1 . 2]" 2
1596 1 70 LEU QD 1 71 VAL H . . 3.850 3.515 3.034 3.881 0.031 9 0 "[ . 1 . 2]" 2
1597 1 70 LEU QD 1 81 THR H . . 4.610 3.767 2.920 4.621 0.011 13 0 "[ . 1 . 2]" 2
1598 1 70 LEU QD 1 81 THR HA . . 3.680 2.528 1.997 3.278 . 0 0 "[ . 1 . 2]" 2
1599 1 70 LEU QD 1 81 THR HB . . 4.450 3.808 3.407 4.392 . 0 0 "[ . 1 . 2]" 2
1600 1 70 LEU QD 1 81 THR MG . . 2.980 2.007 1.730 2.546 . 0 0 "[ . 1 . 2]" 2
1601 1 70 LEU QD 1 84 LEU MD1 . . 3.110 1.886 1.738 2.189 . 0 0 "[ . 1 . 2]" 2
1602 1 70 LEU QD 1 84 LEU MD2 . . 4.480 3.547 2.951 3.885 . 0 0 "[ . 1 . 2]" 2
1603 1 70 LEU QD 1 88 MET HB2 . . 4.090 2.624 2.154 3.191 . 0 0 "[ . 1 . 2]" 2
1604 1 70 LEU QD 1 88 MET HB3 . . 4.760 3.045 2.523 3.624 . 0 0 "[ . 1 . 2]" 2
1605 1 70 LEU QD 1 88 MET QG . . 3.490 2.317 1.878 3.467 . 0 0 "[ . 1 . 2]" 2
1606 1 70 LEU QD 1 88 MET ME . . 2.720 2.219 1.789 2.713 . 0 0 "[ . 1 . 2]" 2
1607 1 70 LEU QD 1 91 VAL HA . . 3.810 2.687 2.045 3.114 . 0 0 "[ . 1 . 2]" 2
1608 1 70 LEU QD 1 91 VAL MG1 . . 3.430 2.037 1.749 2.345 . 0 0 "[ . 1 . 2]" 2
1609 1 70 LEU QD 1 91 VAL MG2 . . 3.540 2.401 1.859 3.104 . 0 0 "[ . 1 . 2]" 2
1610 1 70 LEU QD 1 92 PRO QG . . 3.630 2.849 2.266 3.511 . 0 0 "[ . 1 . 2]" 2
1611 1 70 LEU QD 1 92 PRO QD . . 3.180 2.024 1.751 2.524 . 0 0 "[ . 1 . 2]" 2
1612 1 70 LEU QD 1 96 TRP QB . . 3.900 3.038 2.262 3.718 . 0 0 "[ . 1 . 2]" 2
1613 1 70 LEU QD 1 96 TRP HD1 . . 4.230 3.405 2.315 4.136 . 0 0 "[ . 1 . 2]" 2
1614 1 70 LEU QD 1 96 TRP HE3 . . 5.170 3.843 3.088 4.293 . 0 0 "[ . 1 . 2]" 2
1615 1 70 LEU QD 1 96 TRP HE1 . . 4.050 2.948 2.040 3.828 . 0 0 "[ . 1 . 2]" 2
1616 1 70 LEU QD 1 96 TRP HZ2 . . 4.250 3.023 2.045 3.825 . 0 0 "[ . 1 . 2]" 2
1617 1 71 VAL H 1 71 VAL QG . . 3.180 2.511 2.246 2.815 . 0 0 "[ . 1 . 2]" 2
1618 1 71 VAL HA 1 71 VAL QG . . 2.860 2.102 2.046 2.159 . 0 0 "[ . 1 . 2]" 2
1619 1 71 VAL QG 1 72 CYS H . . 3.370 2.825 2.174 3.186 . 0 0 "[ . 1 . 2]" 2
1620 1 71 VAL QG 1 76 ASP H . . 4.760 4.402 3.915 4.774 0.014 19 0 "[ . 1 . 2]" 2
1621 1 71 VAL QG 1 76 ASP HA . . 3.380 2.638 2.144 3.005 . 0 0 "[ . 1 . 2]" 2
1622 1 71 VAL QG 1 77 LYS H . . 4.270 3.992 3.552 4.317 0.047 14 0 "[ . 1 . 2]" 2
1623 1 71 VAL QG 1 78 GLY HA2 . . 3.660 3.207 2.771 3.511 . 0 0 "[ . 1 . 2]" 2
1624 1 71 VAL QG 1 78 GLY HA3 . . 4.550 3.922 3.478 4.440 . 0 0 "[ . 1 . 2]" 2
1625 1 71 VAL QG 1 79 TYR H . . 4.780 4.200 3.759 4.637 . 0 0 "[ . 1 . 2]" 2
1626 1 72 CYS QB 1 74 THR H . . 4.570 3.414 2.731 4.038 . 0 0 "[ . 1 . 2]" 2
1627 1 72 CYS QB 1 75 CYS H . . 4.080 3.004 2.621 3.385 . 0 0 "[ . 1 . 2]" 2
1628 1 72 CYS QB 1 76 ASP H . . 3.870 1.883 1.853 2.009 . 0 0 "[ . 1 . 2]" 2
1629 1 72 CYS QB 1 76 ASP HA . . 4.730 2.658 2.062 3.028 . 0 0 "[ . 1 . 2]" 2
1630 1 72 CYS QB 1 77 LYS H . . 3.280 2.220 1.792 2.778 . 0 0 "[ . 1 . 2]" 2
1631 1 72 CYS QB 1 96 TRP HE3 . . 4.720 3.571 3.297 3.954 . 0 0 "[ . 1 . 2]" 2
1632 1 72 CYS QB 1 96 TRP HZ3 . . 4.670 2.494 2.037 2.926 . 0 0 "[ . 1 . 2]" 2
1633 1 72 CYS QB 1 98 CYS H . . 4.030 3.357 2.652 3.742 . 0 0 "[ . 1 . 2]" 2
1634 1 72 CYS QB 1 98 CYS HB3 . . 3.920 2.526 2.001 2.976 . 0 0 "[ . 1 . 2]" 2
1635 1 73 ASP QB 1 97 LYS QG . . 5.040 4.667 4.203 5.048 0.008 10 0 "[ . 1 . 2]" 2
1636 1 74 THR H 1 97 LYS QG . . 4.550 4.237 3.573 4.575 0.025 6 0 "[ . 1 . 2]" 2
1637 1 74 THR HB 1 101 CYS QB . . 3.530 3.039 2.855 3.273 . 0 0 "[ . 1 . 2]" 2
1638 1 74 THR MG 1 101 CYS QB . . 3.600 3.095 2.176 3.580 . 0 0 "[ . 1 . 2]" 2
1639 1 75 CYS H 1 75 CYS QB . . 3.690 2.599 2.446 2.886 . 0 0 "[ . 1 . 2]" 2
1640 1 76 ASP QB 1 77 LYS H . . 4.340 3.951 3.867 4.003 . 0 0 "[ . 1 . 2]" 2
1641 1 77 LYS H 1 77 LYS QB . . 3.100 2.290 2.162 2.436 . 0 0 "[ . 1 . 2]" 2
1642 1 77 LYS H 1 77 LYS QG . . 3.640 3.050 2.690 3.716 0.076 14 0 "[ . 1 . 2]" 2
1643 1 77 LYS H 1 77 LYS QD . . 4.650 4.296 2.491 4.709 0.059 20 0 "[ . 1 . 2]" 2
1644 1 77 LYS HA 1 77 LYS QG . . 3.440 2.438 2.196 2.728 . 0 0 "[ . 1 . 2]" 2
1645 1 77 LYS HA 1 77 LYS QD . . 3.940 2.903 2.009 4.025 0.085 5 0 "[ . 1 . 2]" 2
1646 1 77 LYS QB 1 77 LYS QE . . 4.360 3.177 2.050 3.662 . 0 0 "[ . 1 . 2]" 2
1647 1 77 LYS QB 1 78 GLY H . . 3.790 2.432 1.905 3.629 . 0 0 "[ . 1 . 2]" 2
1648 1 77 LYS QB 1 79 TYR QE . . 3.900 2.103 1.773 2.565 . 0 0 "[ . 1 . 2]" 2
1649 1 77 LYS QE 1 77 LYS QG . . 3.120 2.170 2.041 2.488 . 0 0 "[ . 1 . 2]" 2
1650 1 77 LYS QG 1 78 GLY H . . 4.550 4.009 3.387 4.429 . 0 0 "[ . 1 . 2]" 2
1651 1 79 TYR H 1 79 TYR QB . . 3.520 2.821 2.690 2.900 . 0 0 "[ . 1 . 2]" 2
1652 1 79 TYR QB 1 80 HIS H . . 3.870 3.300 3.052 3.475 . 0 0 "[ . 1 . 2]" 2
1653 1 79 TYR QB 1 84 LEU H . . 5.340 5.169 4.577 5.388 0.048 6 0 "[ . 1 . 2]" 2
1654 1 79 TYR QB 1 84 LEU MD1 . . 4.490 3.209 2.812 3.559 . 0 0 "[ . 1 . 2]" 2
1655 1 79 TYR QB 1 96 TRP HH2 . . 4.310 2.514 1.988 3.114 . 0 0 "[ . 1 . 2]" 2
1656 1 80 HIS H 1 80 HIS QB . . 3.330 2.463 2.303 2.570 . 0 0 "[ . 1 . 2]" 2
1657 1 80 HIS QB 1 81 THR H . . 3.810 2.763 2.072 3.043 . 0 0 "[ . 1 . 2]" 2
1658 1 80 HIS QB 1 82 PHE H . . 3.470 2.845 2.360 3.242 . 0 0 "[ . 1 . 2]" 2
1659 1 80 HIS QB 1 83 CYS H . . 3.710 2.661 2.325 3.186 . 0 0 "[ . 1 . 2]" 2
1660 1 80 HIS QB 1 83 CYS HB2 . . 4.760 1.954 1.891 1.993 . 0 0 "[ . 1 . 2]" 2
1661 1 80 HIS QB 1 83 CYS HB3 . . 5.100 3.432 3.325 3.541 . 0 0 "[ . 1 . 2]" 2
1662 1 81 THR HA 1 87 VAL QG . . 5.170 3.917 3.175 4.454 . 0 0 "[ . 1 . 2]" 2
1663 1 81 THR HB 1 87 VAL QG . . 4.620 3.372 2.030 4.703 0.083 5 0 "[ . 1 . 2]" 2
1664 1 82 PHE H 1 82 PHE QB . . 3.350 2.754 2.375 3.053 . 0 0 "[ . 1 . 2]" 2
1665 1 82 PHE H 1 87 VAL QG . . 4.430 3.576 3.080 3.931 . 0 0 "[ . 1 . 2]" 2
1666 1 82 PHE QB 1 87 VAL QG . . 3.550 2.905 2.684 3.083 . 0 0 "[ . 1 . 2]" 2
1667 1 82 PHE QD 1 87 VAL QG . . 4.520 4.090 3.801 4.355 . 0 0 "[ . 1 . 2]" 2
1668 1 83 CYS H 1 87 VAL QG . . 4.590 3.485 2.479 4.198 . 0 0 "[ . 1 . 2]" 2
1669 1 84 LEU H 1 87 VAL QG . . 4.070 2.607 2.185 3.830 . 0 0 "[ . 1 . 2]" 2
1670 1 85 GLN H 1 85 GLN QB . . 3.130 2.733 2.423 3.133 0.003 8 0 "[ . 1 . 2]" 2
1671 1 85 GLN HA 1 86 PRO QB . . 3.810 3.735 3.730 3.739 . 0 0 "[ . 1 . 2]" 2
1672 1 85 GLN HA 1 87 VAL QG . . 4.140 3.630 3.410 3.922 . 0 0 "[ . 1 . 2]" 2
1673 1 86 PRO QB 1 87 VAL H . . 3.150 2.335 2.198 2.478 . 0 0 "[ . 1 . 2]" 2
1674 1 87 VAL H 1 87 VAL QG . . 2.870 2.305 1.795 2.768 . 0 0 "[ . 1 . 2]" 2
1675 1 87 VAL HA 1 87 VAL QG . . 2.820 2.184 1.981 2.539 . 0 0 "[ . 1 . 2]" 2
1676 1 87 VAL QG 1 88 MET H . . 3.280 2.353 1.884 3.211 . 0 0 "[ . 1 . 2]" 2
1677 1 87 VAL QG 1 88 MET HA . . 4.220 3.696 3.387 4.283 0.063 5 0 "[ . 1 . 2]" 2
1678 1 87 VAL QG 1 89 LYS HA . . 4.520 3.594 2.856 4.201 . 0 0 "[ . 1 . 2]" 2
1679 1 87 VAL QG 1 89 LYS QD . . 4.610 3.761 2.507 4.593 . 0 0 "[ . 1 . 2]" 2
1680 1 87 VAL QG 1 89 LYS QE . . 4.090 3.001 2.190 4.039 . 0 0 "[ . 1 . 2]" 2
1681 1 88 MET ME 1 92 PRO QD . . 3.010 1.982 1.795 2.239 . 0 0 "[ . 1 . 2]" 2
1682 1 89 LYS HA 1 89 LYS QG . . 3.300 2.591 2.178 3.023 . 0 0 "[ . 1 . 2]" 2
1683 1 90 SER QB 1 91 VAL H . . 3.140 2.149 2.035 2.253 . 0 0 "[ . 1 . 2]" 2
1684 1 90 SER QB 1 91 VAL HB . . 4.450 4.432 4.335 4.499 0.049 10 0 "[ . 1 . 2]" 2
1685 1 90 SER QB 1 91 VAL MG2 . . 4.600 4.191 3.955 4.329 . 0 0 "[ . 1 . 2]" 2
1686 1 91 VAL HA 1 92 PRO QG . . 4.350 3.818 3.770 3.877 . 0 0 "[ . 1 . 2]" 2
1687 1 91 VAL HB 1 92 PRO QD . . 4.200 3.964 3.777 4.177 . 0 0 "[ . 1 . 2]" 2
1688 1 91 VAL MG1 1 92 PRO QB . . 5.060 4.123 3.858 4.399 . 0 0 "[ . 1 . 2]" 2
1689 1 91 VAL MG1 1 92 PRO QD . . 3.130 1.995 1.799 2.298 . 0 0 "[ . 1 . 2]" 2
1690 1 91 VAL MG2 1 92 PRO QD . . 3.840 3.309 3.059 3.496 . 0 0 "[ . 1 . 2]" 2
1691 1 92 PRO QB 1 94 ASN H . . 4.530 3.212 2.447 4.511 . 0 0 "[ . 1 . 2]" 2
1692 1 92 PRO QB 1 95 GLY H . . 5.330 4.282 2.242 5.438 0.108 3 0 "[ . 1 . 2]" 2
1693 1 92 PRO QB 1 96 TRP QB . . 4.560 3.474 2.361 4.497 . 0 0 "[ . 1 . 2]" 2
1694 1 94 ASN QB 1 95 GLY H . . 3.880 3.334 2.189 3.940 0.060 3 0 "[ . 1 . 2]" 2
1695 1 95 GLY QA 1 96 TRP H . . 2.920 2.327 2.111 2.679 . 0 0 "[ . 1 . 2]" 2
1696 1 97 LYS H 1 97 LYS QB . . 3.320 2.632 2.397 2.791 . 0 0 "[ . 1 . 2]" 2
1697 1 97 LYS HA 1 97 LYS QG . . 3.730 2.282 2.155 2.453 . 0 0 "[ . 1 . 2]" 2
1698 1 97 LYS QB 1 97 LYS QE . . 3.530 2.507 1.913 3.514 . 0 0 "[ . 1 . 2]" 2
1699 1 97 LYS QB 1 98 CYS H . . 4.300 3.671 3.335 3.805 . 0 0 "[ . 1 . 2]" 2
1700 1 97 LYS QB 1 101 CYS QB . . 4.710 3.943 3.279 4.274 . 0 0 "[ . 1 . 2]" 2
1701 1 97 LYS QB 1 102 ARG HA . . 4.360 4.105 3.122 4.393 0.033 1 0 "[ . 1 . 2]" 2
1702 1 97 LYS QB 1 102 ARG QB . . 4.330 3.768 2.695 4.332 0.002 13 0 "[ . 1 . 2]" 2
1703 1 97 LYS QE 1 97 LYS QG . . 3.340 2.310 2.056 2.614 . 0 0 "[ . 1 . 2]" 2
1704 1 97 LYS QG 1 101 CYS QB . . 4.100 2.360 1.877 4.116 0.016 18 0 "[ . 1 . 2]" 2
1705 1 97 LYS QG 1 102 ARG HA . . 4.370 3.741 2.841 4.417 0.047 18 0 "[ . 1 . 2]" 2
1706 1 97 LYS QD 1 101 CYS QB . . 4.400 2.724 2.092 3.285 . 0 0 "[ . 1 . 2]" 2
1707 1 97 LYS QE 1 102 ARG HA . . 4.590 3.517 1.828 4.590 0.000 12 0 "[ . 1 . 2]" 2
1708 1 98 CYS HA 1 99 LYS QB . . 4.360 4.226 4.154 4.291 . 0 0 "[ . 1 . 2]" 2
1709 1 99 LYS HA 1 102 ARG QG . . 3.670 2.112 1.780 2.844 . 0 0 "[ . 1 . 2]" 2
1710 1 99 LYS QB 1 99 LYS QE . . 4.470 3.189 2.130 3.773 . 0 0 "[ . 1 . 2]" 2
1711 1 99 LYS QB 1 100 ASN H . . 3.470 2.301 2.089 2.792 . 0 0 "[ . 1 . 2]" 2
1712 1 99 LYS QB 1 102 ARG QD . . 5.150 3.727 3.076 4.338 . 0 0 "[ . 1 . 2]" 2
1713 1 100 ASN H 1 100 ASN QB . . 2.990 2.297 2.137 2.756 . 0 0 "[ . 1 . 2]" 2
1714 1 100 ASN H 1 100 ASN QD . . 4.740 3.930 1.940 4.737 . 0 0 "[ . 1 . 2]" 2
1715 1 100 ASN QB 1 101 CYS H . . 3.560 2.900 2.633 3.042 . 0 0 "[ . 1 . 2]" 2
1716 1 100 ASN QB 1 101 CYS HA . . 4.910 4.239 3.962 4.586 . 0 0 "[ . 1 . 2]" 2
1717 1 101 CYS H 1 101 CYS QB . . 3.190 2.249 2.160 2.307 . 0 0 "[ . 1 . 2]" 2
1718 1 101 CYS QB 1 102 ARG H . . 3.580 2.584 2.400 2.842 . 0 0 "[ . 1 . 2]" 2
1719 1 102 ARG H 1 102 ARG QG . . 3.330 2.606 1.955 2.987 . 0 0 "[ . 1 . 2]" 2
1720 1 102 ARG HA 1 102 ARG QG . . 3.610 3.086 2.431 3.426 . 0 0 "[ . 1 . 2]" 2
1721 1 102 ARG QG 1 103 ILE H . . 3.830 2.775 2.155 3.921 0.091 13 0 "[ . 1 . 2]" 2
1722 1 103 ILE H 1 103 ILE QG . . 3.320 2.417 1.984 3.130 . 0 0 "[ . 1 . 2]" 2
1723 1 103 ILE HA 1 103 ILE QG . . 3.230 2.664 2.113 3.054 . 0 0 "[ . 1 . 2]" 2
1724 1 103 ILE QG 1 103 ILE MG . . 3.240 2.153 1.934 2.285 . 0 0 "[ . 1 . 2]" 2
1725 1 105 ILE H 1 105 ILE QG . . 4.120 3.447 1.881 4.097 . 0 0 "[ . 1 . 2]" 2
1726 1 105 ILE HA 1 105 ILE QG . . 3.390 2.557 2.176 3.306 . 0 0 "[ . 1 . 2]" 2
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