NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
623553 |
5mn3   |
34076 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5mn3
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 1268
_Distance_constraint_stats_list.Viol_count 2031
_Distance_constraint_stats_list.Viol_total 3126.669
_Distance_constraint_stats_list.Viol_max 0.534
_Distance_constraint_stats_list.Viol_rms 0.0290
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0062
_Distance_constraint_stats_list.Viol_average_violations_only 0.0770
_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 6 VAL 1.818 0.175 16 0 "[ . 1 . 2]"
1 7 PHE 3.795 0.353 16 0 "[ . 1 . 2]"
1 8 GLY 4.204 0.364 18 0 "[ . 1 . 2]"
1 9 ALA 4.450 0.310 18 0 "[ . 1 . 2]"
1 10 GLY 2.937 0.276 14 0 "[ . 1 . 2]"
1 11 CYS 2.947 0.310 18 0 "[ . 1 . 2]"
1 12 THR 2.523 0.238 16 0 "[ . 1 . 2]"
1 13 ASP 1.235 0.220 9 0 "[ . 1 . 2]"
1 14 THR 8.839 0.343 9 0 "[ . 1 . 2]"
1 15 CYS 4.304 0.318 16 0 "[ . 1 . 2]"
1 16 LYS 6.749 0.318 16 0 "[ . 1 . 2]"
1 17 GLN 8.828 0.292 12 0 "[ . 1 . 2]"
1 18 THR 4.189 0.172 14 0 "[ . 1 . 2]"
1 19 PRO 2.332 0.155 11 0 "[ . 1 . 2]"
1 20 CYS 1.939 0.143 5 0 "[ . 1 . 2]"
1 21 GLY 0.699 0.106 8 0 "[ . 1 . 2]"
1 22 CYS 5.996 0.343 9 0 "[ . 1 . 2]"
1 23 GLY 0.666 0.172 10 0 "[ . 1 . 2]"
1 24 SER 0.038 0.038 8 0 "[ . 1 . 2]"
1 25 GLY 1.579 0.218 6 0 "[ . 1 . 2]"
1 26 CYS 3.238 0.227 14 0 "[ . 1 . 2]"
1 27 ASN 0.435 0.223 10 0 "[ . 1 . 2]"
1 28 CYS 1.158 0.201 18 0 "[ . 1 . 2]"
1 29 LYS 7.381 0.300 2 0 "[ . 1 . 2]"
1 30 GLU 3.059 0.300 2 0 "[ . 1 . 2]"
1 31 ASP 1.990 0.364 18 0 "[ . 1 . 2]"
1 32 CYS 0.430 0.065 16 0 "[ . 1 . 2]"
1 33 ARG 1.328 0.354 6 0 "[ . 1 . 2]"
1 34 CYS 6.465 0.342 1 0 "[ . 1 . 2]"
1 35 GLN 5.033 0.433 20 0 "[ . 1 . 2]"
1 36 SER 3.537 0.217 17 0 "[ . 1 . 2]"
1 37 CYS 2.509 0.227 14 0 "[ . 1 . 2]"
1 38 LYS 12.677 0.433 20 0 "[ . 1 . 2]"
1 39 TYR 8.026 0.365 8 0 "[ . 1 . 2]"
1 40 GLY 3.441 0.352 2 0 "[ . 1 . 2]"
1 41 ALA 1.967 0.233 10 0 "[ . 1 . 2]"
1 42 GLY 0.846 0.142 15 0 "[ . 1 . 2]"
1 43 CYS 6.621 0.352 2 0 "[ . 1 . 2]"
1 44 THR 2.177 0.346 12 0 "[ . 1 . 2]"
1 45 ASP 2.089 0.205 4 0 "[ . 1 . 2]"
1 46 VAL 5.685 0.257 6 0 "[ . 1 . 2]"
1 47 CYS 1.550 0.139 7 0 "[ . 1 . 2]"
1 48 LYS 7.548 0.297 18 0 "[ . 1 . 2]"
1 49 GLN 5.831 0.260 15 0 "[ . 1 . 2]"
1 50 THR 3.893 0.432 13 0 "[ . 1 . 2]"
1 51 PRO 2.628 0.262 15 0 "[ . 1 . 2]"
1 52 CYS 2.585 0.160 8 0 "[ . 1 . 2]"
1 53 GLY 3.326 0.257 6 0 "[ . 1 . 2]"
1 54 CYS 4.030 0.257 17 0 "[ . 1 . 2]"
1 55 ALA 1.386 0.173 8 0 "[ . 1 . 2]"
1 56 THR 1.998 0.196 13 0 "[ . 1 . 2]"
1 57 SER 2.864 0.199 8 0 "[ . 1 . 2]"
1 58 GLY 0.650 0.146 18 0 "[ . 1 . 2]"
1 59 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ASN 0.140 0.140 14 0 "[ . 1 . 2]"
1 61 CYS 0.294 0.069 11 0 "[ . 1 . 2]"
1 62 THR 2.936 0.250 2 0 "[ . 1 . 2]"
1 63 ASP 1.110 0.184 17 0 "[ . 1 . 2]"
1 64 ASP 4.315 0.310 7 0 "[ . 1 . 2]"
1 65 CYS 3.153 0.350 12 0 "[ . 1 . 2]"
1 66 LYS 1.327 0.350 12 0 "[ . 1 . 2]"
1 67 CYS 1.351 0.174 4 0 "[ . 1 . 2]"
1 68 GLN 0.898 0.174 4 0 "[ . 1 . 2]"
1 69 SER 0.998 0.135 8 0 "[ . 1 . 2]"
1 70 CYS 2.296 0.257 17 0 "[ . 1 . 2]"
1 71 SER 0.771 0.204 10 0 "[ . 1 . 2]"
1 72 THR 2.254 0.206 18 0 "[ . 1 . 2]"
1 73 ALA 2.004 0.401 8 0 "[ . 1 . 2]"
1 74 CYS 6.053 0.401 8 0 "[ . 1 . 2]"
1 75 LYS 3.316 0.310 3 0 "[ . 1 . 2]"
1 76 CYS 5.650 0.310 3 0 "[ . 1 . 2]"
1 77 ALA 3.274 0.260 13 0 "[ . 1 . 2]"
1 78 ALA 0.086 0.035 14 0 "[ . 1 . 2]"
1 79 GLY 2.318 0.260 13 0 "[ . 1 . 2]"
1 80 SER 0.791 0.115 4 0 "[ . 1 . 2]"
1 81 CYS 2.450 0.223 16 0 "[ . 1 . 2]"
1 82 LYS 4.648 0.304 3 0 "[ . 1 . 2]"
1 83 CYS 2.858 0.298 20 0 "[ . 1 . 2]"
1 84 GLY 1.230 0.244 16 0 "[ . 1 . 2]"
1 85 LYS 2.466 0.534 16 2 "[ . - 1 .+ 2]"
1 86 GLY 0.945 0.113 9 0 "[ . 1 . 2]"
1 87 CYS 2.953 0.215 9 0 "[ . 1 . 2]"
1 88 THR 2.926 0.168 2 0 "[ . 1 . 2]"
1 89 GLY 1.898 0.170 17 0 "[ . 1 . 2]"
1 90 PRO 4.360 0.287 8 0 "[ . 1 . 2]"
1 91 ASP 0.579 0.161 1 0 "[ . 1 . 2]"
1 92 SER 0.007 0.007 14 0 "[ . 1 . 2]"
1 93 CYS 2.820 0.146 8 0 "[ . 1 . 2]"
1 94 LYS 2.230 0.215 9 0 "[ . 1 . 2]"
1 95 CYS 1.529 0.522 3 1 "[ + . 1 . 2]"
1 96 ASP 1.625 0.522 3 1 "[ + . 1 . 2]"
1 97 ARG 7.462 0.310 7 0 "[ . 1 . 2]"
1 98 SER 2.007 0.251 11 0 "[ . 1 . 2]"
1 99 CYS 2.917 0.232 18 0 "[ . 1 . 2]"
1 100 SER 1.128 0.140 4 0 "[ . 1 . 2]"
1 101 CYS 2.980 0.298 20 0 "[ . 1 . 2]"
1 102 LYS 8.500 0.289 8 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 6 VAL H 1 6 VAL HB . . 3.740 3.118 2.470 3.791 0.051 16 0 "[ . 1 . 2]" 1
2 1 6 VAL H 1 6 VAL MG1 . . 4.650 2.601 1.856 3.837 . 0 0 "[ . 1 . 2]" 1
3 1 6 VAL H 1 6 VAL QG . . 3.330 2.012 1.793 2.560 . 0 0 "[ . 1 . 2]" 1
4 1 6 VAL H 1 6 VAL MG2 . . 4.650 2.767 1.831 3.870 . 0 0 "[ . 1 . 2]" 1
5 1 6 VAL HA 1 6 VAL MG1 . . 3.490 2.688 2.246 3.229 . 0 0 "[ . 1 . 2]" 1
6 1 6 VAL HA 1 6 VAL QG . . 2.980 2.270 2.121 2.398 . 0 0 "[ . 1 . 2]" 1
7 1 6 VAL HA 1 6 VAL MG2 . . 3.490 2.731 2.307 3.222 . 0 0 "[ . 1 . 2]" 1
8 1 6 VAL HA 1 7 PHE H . . 2.930 2.283 2.049 3.105 0.175 16 0 "[ . 1 . 2]" 1
9 1 6 VAL HA 1 7 PHE QB . . 4.480 4.282 3.837 4.536 0.056 2 0 "[ . 1 . 2]" 1
10 1 6 VAL HB 1 7 PHE H . . 4.320 3.825 2.030 4.412 0.092 18 0 "[ . 1 . 2]" 1
11 1 6 VAL HB 1 10 GLY H . . 5.450 4.804 3.205 5.560 0.110 11 0 "[ . 1 . 2]" 1
12 1 6 VAL QG 1 7 PHE H . . 3.460 3.024 2.238 3.534 0.074 15 0 "[ . 1 . 2]" 1
13 1 6 VAL QG 1 7 PHE HA . . 4.360 3.788 3.212 4.365 0.005 13 0 "[ . 1 . 2]" 1
14 1 6 VAL QG 1 7 PHE QB . . 5.080 4.242 2.855 4.849 . 0 0 "[ . 1 . 2]" 1
15 1 6 VAL QG 1 10 GLY QA . . 3.800 2.398 1.869 3.814 0.014 9 0 "[ . 1 . 2]" 1
16 1 6 VAL QG 1 29 LYS QG . . 3.850 3.357 2.203 3.985 0.135 5 0 "[ . 1 . 2]" 1
17 1 6 VAL MG1 1 7 PHE H . . 4.410 3.790 2.482 4.258 . 0 0 "[ . 1 . 2]" 1
18 1 6 VAL MG2 1 7 PHE H . . 4.410 3.419 2.260 4.313 . 0 0 "[ . 1 . 2]" 1
19 1 7 PHE H 1 7 PHE HB2 . . 3.900 3.101 2.452 3.925 0.025 19 0 "[ . 1 . 2]" 1
20 1 7 PHE H 1 7 PHE HB3 . . 3.900 3.297 2.542 3.983 0.083 14 0 "[ . 1 . 2]" 1
21 1 7 PHE H 1 29 LYS QG . . 5.340 4.634 2.483 5.416 0.076 4 0 "[ . 1 . 2]" 1
22 1 7 PHE HA 1 8 GLY H . . 3.120 2.704 2.108 3.473 0.353 16 0 "[ . 1 . 2]" 1
23 1 7 PHE HA 1 8 GLY HA2 . . 4.810 4.428 4.241 4.752 . 0 0 "[ . 1 . 2]" 1
24 1 7 PHE HA 1 8 GLY HA3 . . 4.810 4.633 4.272 5.146 0.336 9 0 "[ . 1 . 2]" 1
25 1 7 PHE HB2 1 8 GLY H . . 4.710 4.059 2.792 4.631 . 0 0 "[ . 1 . 2]" 1
26 1 7 PHE HB3 1 8 GLY H . . 4.710 3.800 1.979 4.469 . 0 0 "[ . 1 . 2]" 1
27 1 8 GLY H 1 9 ALA H . . 4.620 3.266 1.842 4.425 . 0 0 "[ . 1 . 2]" 1
28 1 8 GLY H 1 29 LYS QE . . 4.060 3.624 2.790 4.198 0.138 18 0 "[ . 1 . 2]" 1
29 1 8 GLY H 1 29 LYS QG . . 4.670 2.833 1.752 3.919 . 0 0 "[ . 1 . 2]" 1
30 1 8 GLY QA 1 9 ALA HA . . 4.860 4.010 3.910 4.532 . 0 0 "[ . 1 . 2]" 1
31 1 8 GLY QA 1 9 ALA MB . . 4.370 3.852 3.555 4.130 . 0 0 "[ . 1 . 2]" 1
32 1 8 GLY QA 1 29 LYS QB . . 3.860 2.772 1.878 3.868 0.008 14 0 "[ . 1 . 2]" 1
33 1 8 GLY QA 1 29 LYS QG . . 4.120 2.919 1.904 3.939 . 0 0 "[ . 1 . 2]" 1
34 1 8 GLY QA 1 31 ASP QB . . 3.720 2.463 1.749 4.084 0.364 18 0 "[ . 1 . 2]" 1
35 1 8 GLY HA2 1 9 ALA H . . 3.470 3.293 2.192 3.530 0.060 15 0 "[ . 1 . 2]" 1
36 1 8 GLY HA3 1 9 ALA H . . 3.470 2.639 2.159 3.047 . 0 0 "[ . 1 . 2]" 1
37 1 9 ALA H 1 9 ALA MB . . 3.030 2.427 2.255 2.949 . 0 0 "[ . 1 . 2]" 1
38 1 9 ALA H 1 10 GLY H . . 3.630 2.748 2.175 3.724 0.094 4 0 "[ . 1 . 2]" 1
39 1 9 ALA H 1 29 LYS QE . . 5.340 5.191 1.863 5.557 0.217 11 0 "[ . 1 . 2]" 1
40 1 9 ALA H 1 31 ASP HB2 . . 5.500 5.277 4.245 5.700 0.200 10 0 "[ . 1 . 2]" 1
41 1 9 ALA H 1 31 ASP QB . . 4.730 4.328 2.983 4.791 0.061 18 0 "[ . 1 . 2]" 1
42 1 9 ALA H 1 31 ASP HB3 . . 5.500 4.723 3.017 5.679 0.179 20 0 "[ . 1 . 2]" 1
43 1 9 ALA HA 1 10 GLY QA . . 5.340 4.259 3.952 4.518 . 0 0 "[ . 1 . 2]" 1
44 1 9 ALA HA 1 11 CYS H . . 3.910 3.841 3.606 4.220 0.310 18 0 "[ . 1 . 2]" 1
45 1 9 ALA MB 1 10 GLY H . . 3.760 3.358 2.023 3.694 . 0 0 "[ . 1 . 2]" 1
46 1 9 ALA MB 1 11 CYS H . . 4.270 4.088 2.593 4.410 0.140 12 0 "[ . 1 . 2]" 1
47 1 10 GLY H 1 11 CYS H . . 3.470 3.389 2.791 3.653 0.183 15 0 "[ . 1 . 2]" 1
48 1 10 GLY H 1 11 CYS HA . . 4.970 4.782 4.212 5.192 0.222 14 0 "[ . 1 . 2]" 1
49 1 10 GLY H 1 29 LYS QB . . 5.340 3.625 2.967 4.945 . 0 0 "[ . 1 . 2]" 1
50 1 10 GLY H 1 29 LYS QE . . 4.620 3.961 3.169 4.661 0.041 3 0 "[ . 1 . 2]" 1
51 1 10 GLY H 1 29 LYS QG . . 3.360 2.661 1.971 3.636 0.276 14 0 "[ . 1 . 2]" 1
52 1 10 GLY QA 1 29 LYS H . . 4.960 4.687 3.566 5.106 0.146 8 0 "[ . 1 . 2]" 1
53 1 10 GLY QA 1 29 LYS QD . . 4.300 3.157 2.136 4.150 . 0 0 "[ . 1 . 2]" 1
54 1 10 GLY QA 1 29 LYS QE . . 4.800 3.431 2.098 4.872 0.072 8 0 "[ . 1 . 2]" 1
55 1 10 GLY QA 1 29 LYS QG . . 3.970 3.004 2.233 3.988 0.018 10 0 "[ . 1 . 2]" 1
56 1 11 CYS H 1 11 CYS QB . . 3.290 2.338 2.107 2.793 . 0 0 "[ . 1 . 2]" 1
57 1 11 CYS H 1 28 CYS HA . . 5.020 4.728 3.986 5.086 0.066 18 0 "[ . 1 . 2]" 1
58 1 11 CYS H 1 28 CYS QB . . 5.240 4.693 4.133 5.243 0.003 18 0 "[ . 1 . 2]" 1
59 1 11 CYS HA 1 12 THR H . . 2.900 2.602 2.292 2.878 . 0 0 "[ . 1 . 2]" 1
60 1 11 CYS HA 1 12 THR HA . . 4.870 4.399 4.272 4.564 . 0 0 "[ . 1 . 2]" 1
61 1 11 CYS HA 1 28 CYS QB . . 4.430 2.491 1.985 3.939 . 0 0 "[ . 1 . 2]" 1
62 1 11 CYS QB 1 12 THR H . . 3.890 2.409 1.794 3.516 . 0 0 "[ . 1 . 2]" 1
63 1 11 CYS QB 1 12 THR MG . . 5.340 3.860 2.966 4.872 . 0 0 "[ . 1 . 2]" 1
64 1 11 CYS QB 1 28 CYS QB . . 4.020 3.163 2.208 4.221 0.201 18 0 "[ . 1 . 2]" 1
65 1 12 THR H 1 12 THR MG . . 3.040 2.069 1.837 2.402 . 0 0 "[ . 1 . 2]" 1
66 1 12 THR H 1 15 CYS HB2 . . 4.230 3.222 2.782 3.766 . 0 0 "[ . 1 . 2]" 1
67 1 12 THR H 1 15 CYS HB3 . . 4.620 3.384 2.940 4.204 . 0 0 "[ . 1 . 2]" 1
68 1 12 THR H 1 16 LYS QD . . 5.500 5.524 4.895 5.738 0.238 16 0 "[ . 1 . 2]" 1
69 1 12 THR H 1 28 CYS HA . . 4.320 3.517 2.582 4.108 . 0 0 "[ . 1 . 2]" 1
70 1 12 THR H 1 28 CYS QB . . 4.770 2.812 1.989 4.024 . 0 0 "[ . 1 . 2]" 1
71 1 12 THR HA 1 13 ASP H . . 3.350 2.330 2.248 2.406 . 0 0 "[ . 1 . 2]" 1
72 1 12 THR HA 1 13 ASP QB . . 4.330 4.283 4.117 4.461 0.131 18 0 "[ . 1 . 2]" 1
73 1 12 THR HA 1 14 THR H . . 4.210 4.038 3.874 4.220 0.010 4 0 "[ . 1 . 2]" 1
74 1 12 THR HB 1 14 THR HB . . 4.950 4.648 4.373 4.904 . 0 0 "[ . 1 . 2]" 1
75 1 12 THR MG 1 13 ASP H . . 4.060 3.585 3.414 3.844 . 0 0 "[ . 1 . 2]" 1
76 1 12 THR MG 1 13 ASP HA . . 4.820 4.423 4.270 4.751 . 0 0 "[ . 1 . 2]" 1
77 1 12 THR MG 1 14 THR H . . 4.050 2.649 2.353 2.900 . 0 0 "[ . 1 . 2]" 1
78 1 12 THR MG 1 14 THR HA . . 4.460 4.218 3.925 4.461 0.001 3 0 "[ . 1 . 2]" 1
79 1 12 THR MG 1 14 THR HB . . 4.440 2.398 2.114 2.767 . 0 0 "[ . 1 . 2]" 1
80 1 12 THR MG 1 15 CYS H . . 3.730 2.102 1.872 2.372 . 0 0 "[ . 1 . 2]" 1
81 1 12 THR MG 1 15 CYS HB2 . . 3.280 2.157 1.809 2.579 . 0 0 "[ . 1 . 2]" 1
82 1 12 THR MG 1 15 CYS HB3 . . 4.520 3.063 2.503 3.391 . 0 0 "[ . 1 . 2]" 1
83 1 12 THR MG 1 27 ASN H . . 3.730 2.497 1.988 2.971 . 0 0 "[ . 1 . 2]" 1
84 1 12 THR MG 1 27 ASN HA . . 4.820 4.380 4.125 4.747 . 0 0 "[ . 1 . 2]" 1
85 1 12 THR MG 1 27 ASN QB . . 3.430 2.443 1.861 3.517 0.087 11 0 "[ . 1 . 2]" 1
86 1 12 THR MG 1 28 CYS H . . 4.070 3.164 2.677 3.794 . 0 0 "[ . 1 . 2]" 1
87 1 12 THR MG 1 28 CYS HA . . 3.690 3.511 3.106 3.726 0.036 14 0 "[ . 1 . 2]" 1
88 1 12 THR MG 1 28 CYS QB . . 4.490 2.677 1.951 3.942 . 0 0 "[ . 1 . 2]" 1
89 1 12 THR MG 1 29 LYS H . . 5.500 5.335 4.913 5.574 0.074 14 0 "[ . 1 . 2]" 1
90 1 13 ASP H 1 13 ASP QB . . 3.430 2.372 2.232 2.624 . 0 0 "[ . 1 . 2]" 1
91 1 13 ASP H 1 14 THR H . . 4.050 2.513 2.374 2.647 . 0 0 "[ . 1 . 2]" 1
92 1 13 ASP HA 1 15 CYS H . . 4.710 3.538 3.284 3.879 . 0 0 "[ . 1 . 2]" 1
93 1 13 ASP HA 1 16 LYS H . . 4.100 3.529 3.360 3.889 . 0 0 "[ . 1 . 2]" 1
94 1 13 ASP HA 1 16 LYS QB . . 3.950 3.568 3.204 4.083 0.133 13 0 "[ . 1 . 2]" 1
95 1 13 ASP HA 1 16 LYS QD . . 4.060 3.230 2.076 4.280 0.220 9 0 "[ . 1 . 2]" 1
96 1 13 ASP HA 1 16 LYS QE . . 5.500 4.376 3.183 5.322 . 0 0 "[ . 1 . 2]" 1
97 1 13 ASP HA 1 16 LYS QG . . 3.830 2.362 1.937 3.216 . 0 0 "[ . 1 . 2]" 1
98 1 13 ASP QB 1 14 THR H . . 3.910 3.165 2.587 3.727 . 0 0 "[ . 1 . 2]" 1
99 1 14 THR H 1 14 THR HB . . 3.460 2.669 2.519 2.917 . 0 0 "[ . 1 . 2]" 1
100 1 14 THR H 1 14 THR MG . . 3.840 3.713 3.601 3.761 . 0 0 "[ . 1 . 2]" 1
101 1 14 THR H 1 16 LYS H . . 4.730 4.152 4.082 4.277 . 0 0 "[ . 1 . 2]" 1
102 1 14 THR HA 1 14 THR MG . . 3.130 2.270 2.129 2.381 . 0 0 "[ . 1 . 2]" 1
103 1 14 THR HA 1 15 CYS HB2 . . 5.500 5.560 5.422 5.700 0.200 10 0 "[ . 1 . 2]" 1
104 1 14 THR HA 1 16 LYS H . . 4.080 3.660 3.504 4.061 . 0 0 "[ . 1 . 2]" 1
105 1 14 THR HA 1 17 GLN H . . 4.800 4.306 4.091 4.543 . 0 0 "[ . 1 . 2]" 1
106 1 14 THR HA 1 17 GLN QB . . 4.950 4.373 4.004 4.919 . 0 0 "[ . 1 . 2]" 1
107 1 14 THR HA 1 17 GLN HE21 . . 4.460 3.218 3.055 3.377 . 0 0 "[ . 1 . 2]" 1
108 1 14 THR HA 1 17 GLN HG2 . . 3.520 2.507 2.168 3.065 . 0 0 "[ . 1 . 2]" 1
109 1 14 THR HA 1 17 GLN HG3 . . 3.920 3.200 2.769 4.011 0.091 5 0 "[ . 1 . 2]" 1
110 1 14 THR HA 1 21 GLY H . . 5.260 4.353 3.986 5.171 . 0 0 "[ . 1 . 2]" 1
111 1 14 THR HB 1 15 CYS H . . 3.940 3.184 3.018 3.340 . 0 0 "[ . 1 . 2]" 1
112 1 14 THR HB 1 21 GLY H . . 5.500 4.863 4.436 5.509 0.009 17 0 "[ . 1 . 2]" 1
113 1 14 THR HB 1 22 CYS H . . 5.500 4.790 4.049 5.283 . 0 0 "[ . 1 . 2]" 1
114 1 14 THR MG 1 15 CYS H . . 4.360 4.024 3.922 4.201 . 0 0 "[ . 1 . 2]" 1
115 1 14 THR MG 1 15 CYS HA . . 4.310 4.028 3.880 4.355 0.045 8 0 "[ . 1 . 2]" 1
116 1 14 THR MG 1 17 GLN H . . 5.500 4.704 4.507 5.018 . 0 0 "[ . 1 . 2]" 1
117 1 14 THR MG 1 17 GLN QB . . 4.430 3.981 3.560 4.406 . 0 0 "[ . 1 . 2]" 1
118 1 14 THR MG 1 17 GLN HE21 . . 4.740 4.662 4.503 4.825 0.085 13 0 "[ . 1 . 2]" 1
119 1 14 THR MG 1 17 GLN HE22 . . 5.340 5.502 5.199 5.632 0.292 12 0 "[ . 1 . 2]" 1
120 1 14 THR MG 1 17 GLN HG2 . . 4.060 3.247 3.056 3.493 . 0 0 "[ . 1 . 2]" 1
121 1 14 THR MG 1 17 GLN HG3 . . 4.580 3.182 2.740 3.855 . 0 0 "[ . 1 . 2]" 1
122 1 14 THR MG 1 20 CYS HA . . 5.500 4.736 4.301 5.451 . 0 0 "[ . 1 . 2]" 1
123 1 14 THR MG 1 21 GLY H . . 3.770 2.842 2.426 3.597 . 0 0 "[ . 1 . 2]" 1
124 1 14 THR MG 1 21 GLY HA2 . . 3.940 3.593 3.314 3.987 0.047 14 0 "[ . 1 . 2]" 1
125 1 14 THR MG 1 21 GLY QA . . 3.380 2.274 1.946 2.777 . 0 0 "[ . 1 . 2]" 1
126 1 14 THR MG 1 21 GLY HA3 . . 3.940 2.300 1.960 2.833 . 0 0 "[ . 1 . 2]" 1
127 1 14 THR MG 1 22 CYS H . . 3.510 3.087 2.805 3.576 0.066 17 0 "[ . 1 . 2]" 1
128 1 14 THR MG 1 22 CYS HA . . 2.930 3.033 2.661 3.273 0.343 9 0 "[ . 1 . 2]" 1
129 1 14 THR MG 1 22 CYS QB . . 4.130 4.145 3.869 4.296 0.166 14 0 "[ . 1 . 2]" 1
130 1 15 CYS H 1 15 CYS HB2 . . 3.200 2.512 2.175 2.705 . 0 0 "[ . 1 . 2]" 1
131 1 15 CYS H 1 15 CYS HB3 . . 3.190 2.525 2.345 2.955 . 0 0 "[ . 1 . 2]" 1
132 1 15 CYS H 1 16 LYS H . . 3.320 2.370 2.194 2.526 . 0 0 "[ . 1 . 2]" 1
133 1 15 CYS H 1 16 LYS QG . . 4.560 3.352 3.125 3.597 . 0 0 "[ . 1 . 2]" 1
134 1 15 CYS HA 1 17 GLN H . . 4.430 3.411 3.268 3.630 . 0 0 "[ . 1 . 2]" 1
135 1 15 CYS HA 1 20 CYS HA . . 4.420 4.005 3.447 4.478 0.058 13 0 "[ . 1 . 2]" 1
136 1 15 CYS HA 1 20 CYS QB . . 5.340 3.836 1.891 4.975 . 0 0 "[ . 1 . 2]" 1
137 1 15 CYS HA 1 21 GLY H . . 3.850 3.653 3.265 3.942 0.092 16 0 "[ . 1 . 2]" 1
138 1 15 CYS HA 1 22 CYS H . . 4.500 3.960 3.325 4.363 . 0 0 "[ . 1 . 2]" 1
139 1 15 CYS HB2 1 16 LYS H . . 4.360 4.131 3.890 4.359 . 0 0 "[ . 1 . 2]" 1
140 1 15 CYS HB2 1 16 LYS QG . . 4.730 4.697 4.438 4.909 0.179 8 0 "[ . 1 . 2]" 1
141 1 15 CYS HB3 1 16 LYS H . . 4.000 3.300 2.844 3.641 . 0 0 "[ . 1 . 2]" 1
142 1 15 CYS HB3 1 16 LYS QD . . 4.390 3.863 2.983 4.708 0.318 16 0 "[ . 1 . 2]" 1
143 1 15 CYS HB3 1 16 LYS QG . . 4.350 3.376 2.970 3.767 . 0 0 "[ . 1 . 2]" 1
144 1 16 LYS H 1 16 LYS HB2 . . 3.800 2.631 2.478 3.653 . 0 0 "[ . 1 . 2]" 1
145 1 16 LYS H 1 16 LYS QB . . 3.260 2.551 2.435 3.019 . 0 0 "[ . 1 . 2]" 1
146 1 16 LYS H 1 16 LYS HB3 . . 3.800 3.623 3.217 3.717 . 0 0 "[ . 1 . 2]" 1
147 1 16 LYS H 1 16 LYS QE . . 5.220 4.582 3.231 5.187 . 0 0 "[ . 1 . 2]" 1
148 1 16 LYS H 1 16 LYS QG . . 3.200 2.237 1.838 2.483 . 0 0 "[ . 1 . 2]" 1
149 1 16 LYS H 1 17 GLN H . . 3.380 2.557 2.366 2.793 . 0 0 "[ . 1 . 2]" 1
150 1 16 LYS H 1 17 GLN HG3 . . 5.500 4.988 4.668 5.507 0.007 18 0 "[ . 1 . 2]" 1
151 1 16 LYS HA 1 16 LYS QE . . 4.510 3.583 1.756 4.372 . 0 0 "[ . 1 . 2]" 1
152 1 16 LYS HA 1 16 LYS HG2 . . 3.990 3.062 2.637 3.561 . 0 0 "[ . 1 . 2]" 1
153 1 16 LYS HA 1 16 LYS QG . . 3.290 2.897 2.481 3.293 0.003 13 0 "[ . 1 . 2]" 1
154 1 16 LYS HA 1 16 LYS HG3 . . 3.990 3.594 2.916 3.945 . 0 0 "[ . 1 . 2]" 1
155 1 16 LYS HA 1 17 GLN HA . . 5.080 4.621 4.542 4.650 . 0 0 "[ . 1 . 2]" 1
156 1 16 LYS HA 1 17 GLN HE21 . . 4.470 4.093 3.863 4.604 0.134 13 0 "[ . 1 . 2]" 1
157 1 16 LYS QB 1 16 LYS QD . . 3.460 2.417 2.147 2.814 . 0 0 "[ . 1 . 2]" 1
158 1 16 LYS QB 1 17 GLN H . . 4.140 3.588 3.463 3.975 . 0 0 "[ . 1 . 2]" 1
159 1 16 LYS HB2 1 16 LYS QE . . 4.490 3.474 2.195 4.469 . 0 0 "[ . 1 . 2]" 1
160 1 16 LYS HB2 1 17 GLN H . . 4.740 3.795 3.624 4.356 . 0 0 "[ . 1 . 2]" 1
161 1 16 LYS HB3 1 16 LYS QE . . 4.490 2.638 2.001 3.993 . 0 0 "[ . 1 . 2]" 1
162 1 16 LYS HB3 1 17 GLN H . . 4.740 4.433 4.384 4.589 . 0 0 "[ . 1 . 2]" 1
163 1 16 LYS QD 1 17 GLN H . . 5.500 5.068 4.501 5.684 0.184 11 0 "[ . 1 . 2]" 1
164 1 16 LYS QD 1 17 GLN HE22 . . 5.500 5.294 4.439 5.665 0.165 6 0 "[ . 1 . 2]" 1
165 1 16 LYS QE 1 16 LYS HG2 . . 3.680 2.983 2.320 3.518 . 0 0 "[ . 1 . 2]" 1
166 1 16 LYS QE 1 16 LYS HG3 . . 3.680 2.898 2.311 3.538 . 0 0 "[ . 1 . 2]" 1
167 1 16 LYS QG 1 17 GLN H . . 4.660 4.308 3.681 4.485 . 0 0 "[ . 1 . 2]" 1
168 1 16 LYS QG 1 17 GLN HE21 . . 4.530 3.693 2.668 4.267 . 0 0 "[ . 1 . 2]" 1
169 1 17 GLN H 1 17 GLN QB . . 2.830 2.593 2.536 2.688 . 0 0 "[ . 1 . 2]" 1
170 1 17 GLN H 1 17 GLN HE21 . . 4.630 2.661 2.385 2.938 . 0 0 "[ . 1 . 2]" 1
171 1 17 GLN H 1 17 GLN HG2 . . 3.110 2.331 2.099 2.560 . 0 0 "[ . 1 . 2]" 1
172 1 17 GLN H 1 17 GLN HG3 . . 4.110 3.815 3.620 3.986 . 0 0 "[ . 1 . 2]" 1
173 1 17 GLN H 1 18 THR H . . 4.640 4.542 4.513 4.594 . 0 0 "[ . 1 . 2]" 1
174 1 17 GLN H 1 18 THR MG . . 5.500 4.766 4.537 5.637 0.137 20 0 "[ . 1 . 2]" 1
175 1 17 GLN H 1 20 CYS HA . . 3.660 3.184 2.770 3.698 0.038 14 0 "[ . 1 . 2]" 1
176 1 17 GLN H 1 21 GLY H . . 3.770 3.611 3.110 3.876 0.106 8 0 "[ . 1 . 2]" 1
177 1 17 GLN HA 1 17 GLN HG2 . . 3.850 3.392 3.189 3.529 . 0 0 "[ . 1 . 2]" 1
178 1 17 GLN HA 1 18 THR H . . 2.730 2.376 2.253 2.463 . 0 0 "[ . 1 . 2]" 1
179 1 17 GLN HA 1 18 THR HA . . 5.100 4.481 4.427 4.518 . 0 0 "[ . 1 . 2]" 1
180 1 17 GLN QB 1 17 GLN HE21 . . 3.880 3.609 3.498 3.646 . 0 0 "[ . 1 . 2]" 1
181 1 17 GLN QB 1 17 GLN HE22 . . 4.460 4.269 4.087 4.342 . 0 0 "[ . 1 . 2]" 1
182 1 17 GLN QB 1 18 THR H . . 2.750 2.406 2.261 2.579 . 0 0 "[ . 1 . 2]" 1
183 1 17 GLN QB 1 18 THR MG . . 4.740 4.498 4.371 4.880 0.140 20 0 "[ . 1 . 2]" 1
184 1 17 GLN QB 1 20 CYS HA . . 3.660 2.222 1.795 3.062 . 0 0 "[ . 1 . 2]" 1
185 1 17 GLN QB 1 20 CYS QB . . 5.340 4.197 3.576 4.918 . 0 0 "[ . 1 . 2]" 1
186 1 17 GLN QB 1 21 GLY H . . 3.330 2.388 1.975 2.822 . 0 0 "[ . 1 . 2]" 1
187 1 17 GLN QB 1 22 CYS H . . 4.760 4.660 4.324 4.951 0.191 5 0 "[ . 1 . 2]" 1
188 1 17 GLN HG2 1 18 THR H . . 4.880 4.971 4.907 5.052 0.172 14 0 "[ . 1 . 2]" 1
189 1 17 GLN HG2 1 21 GLY H . . 4.130 3.100 2.670 3.649 . 0 0 "[ . 1 . 2]" 1
190 1 17 GLN HG3 1 21 GLY H . . 4.140 3.422 2.406 4.169 0.029 14 0 "[ . 1 . 2]" 1
191 1 17 GLN HG3 1 21 GLY QA . . 4.170 3.195 2.403 3.734 . 0 0 "[ . 1 . 2]" 1
192 1 18 THR H 1 18 THR MG . . 3.820 3.427 3.201 3.952 0.132 20 0 "[ . 1 . 2]" 1
193 1 18 THR H 1 19 PRO HD2 . . 4.830 4.705 4.553 4.943 0.113 17 0 "[ . 1 . 2]" 1
194 1 18 THR HA 1 18 THR MG . . 3.030 2.239 2.105 2.328 . 0 0 "[ . 1 . 2]" 1
195 1 18 THR HA 1 19 PRO HA . . 2.880 1.983 1.899 2.034 . 0 0 "[ . 1 . 2]" 1
196 1 18 THR HA 1 19 PRO HB2 . . 4.880 4.413 4.319 4.497 . 0 0 "[ . 1 . 2]" 1
197 1 18 THR HA 1 19 PRO HB3 . . 4.140 4.196 4.126 4.253 0.113 16 0 "[ . 1 . 2]" 1
198 1 18 THR HA 1 19 PRO HD3 . . 4.880 4.461 4.431 4.498 . 0 0 "[ . 1 . 2]" 1
199 1 18 THR HA 1 20 CYS H . . 3.810 3.252 2.974 3.562 . 0 0 "[ . 1 . 2]" 1
200 1 18 THR HB 1 19 PRO HA . . 4.050 3.748 3.479 4.205 0.155 11 0 "[ . 1 . 2]" 1
201 1 18 THR HB 1 19 PRO HD3 . . 4.660 4.494 4.345 4.692 0.032 20 0 "[ . 1 . 2]" 1
202 1 18 THR MG 1 19 PRO HA . . 3.720 3.367 2.619 3.699 . 0 0 "[ . 1 . 2]" 1
203 1 18 THR MG 1 20 CYS H . . 4.980 4.354 3.789 4.835 . 0 0 "[ . 1 . 2]" 1
204 1 19 PRO HA 1 20 CYS H . . 2.940 2.357 2.250 2.490 . 0 0 "[ . 1 . 2]" 1
205 1 19 PRO HA 1 20 CYS QB . . 4.860 4.301 4.051 4.598 . 0 0 "[ . 1 . 2]" 1
206 1 19 PRO HB2 1 20 CYS H . . 3.250 2.902 2.499 3.308 0.058 12 0 "[ . 1 . 2]" 1
207 1 19 PRO HB2 1 20 CYS HA . . 4.780 4.791 4.681 4.849 0.069 12 0 "[ . 1 . 2]" 1
208 1 19 PRO HB2 1 20 CYS QB . . 4.990 4.300 3.851 5.083 0.093 5 0 "[ . 1 . 2]" 1
209 1 19 PRO HB3 1 20 CYS H . . 3.600 3.358 2.804 3.637 0.037 20 0 "[ . 1 . 2]" 1
210 1 20 CYS H 1 20 CYS HB2 . . 3.440 2.312 2.052 3.518 0.078 5 0 "[ . 1 . 2]" 1
211 1 20 CYS H 1 20 CYS QB . . 2.800 2.192 2.028 2.384 . 0 0 "[ . 1 . 2]" 1
212 1 20 CYS H 1 20 CYS HB3 . . 3.440 3.135 2.349 3.582 0.142 10 0 "[ . 1 . 2]" 1
213 1 20 CYS HA 1 21 GLY H . . 2.790 2.234 2.148 2.409 . 0 0 "[ . 1 . 2]" 1
214 1 20 CYS HA 1 21 GLY QA . . 4.440 3.869 3.841 3.914 . 0 0 "[ . 1 . 2]" 1
215 1 20 CYS HA 1 22 CYS H . . 4.060 3.815 3.546 4.111 0.051 3 0 "[ . 1 . 2]" 1
216 1 20 CYS QB 1 22 CYS H . . 4.470 2.745 2.145 3.508 . 0 0 "[ . 1 . 2]" 1
217 1 20 CYS QB 1 36 SER QB . . 2.920 2.242 1.886 3.063 0.143 5 0 "[ . 1 . 2]" 1
218 1 21 GLY H 1 22 CYS H . . 3.160 2.457 2.207 2.630 . 0 0 "[ . 1 . 2]" 1
219 1 21 GLY QA 1 23 GLY H . . 4.840 3.878 2.984 4.809 . 0 0 "[ . 1 . 2]" 1
220 1 22 CYS H 1 22 CYS QB . . 3.090 2.380 2.261 2.573 . 0 0 "[ . 1 . 2]" 1
221 1 22 CYS H 1 23 GLY H . . 3.770 2.890 2.650 3.885 0.115 10 0 "[ . 1 . 2]" 1
222 1 22 CYS H 1 23 GLY QA . . 5.340 4.494 4.356 4.759 . 0 0 "[ . 1 . 2]" 1
223 1 22 CYS HA 1 26 CYS HA . . 4.230 3.624 2.958 4.240 0.010 14 0 "[ . 1 . 2]" 1
224 1 22 CYS QB 1 23 GLY H . . 3.600 2.792 1.952 3.772 0.172 10 0 "[ . 1 . 2]" 1
225 1 22 CYS QB 1 25 GLY H . . 4.810 3.774 3.276 4.360 . 0 0 "[ . 1 . 2]" 1
226 1 22 CYS QB 1 26 CYS H . . 4.460 4.033 3.133 4.567 0.107 3 0 "[ . 1 . 2]" 1
227 1 22 CYS QB 1 26 CYS HA . . 3.210 2.796 1.985 3.421 0.211 11 0 "[ . 1 . 2]" 1
228 1 22 CYS QB 1 37 CYS HA . . 4.640 4.168 3.849 4.610 . 0 0 "[ . 1 . 2]" 1
229 1 22 CYS QB 1 37 CYS HB2 . . 3.650 3.149 2.518 3.789 0.139 10 0 "[ . 1 . 2]" 1
230 1 22 CYS QB 1 37 CYS QB . . 3.200 2.255 1.926 2.655 . 0 0 "[ . 1 . 2]" 1
231 1 22 CYS QB 1 37 CYS HB3 . . 3.650 2.314 1.966 2.727 . 0 0 "[ . 1 . 2]" 1
232 1 23 GLY H 1 25 GLY H . . 5.130 4.262 3.069 5.191 0.061 8 0 "[ . 1 . 2]" 1
233 1 23 GLY QA 1 25 GLY H . . 4.320 3.582 3.169 4.381 0.061 13 0 "[ . 1 . 2]" 1
234 1 24 SER HA 1 25 GLY H . . 3.450 3.202 2.468 3.488 0.038 8 0 "[ . 1 . 2]" 1
235 1 24 SER QB 1 25 GLY H . . 4.390 3.592 3.175 3.938 . 0 0 "[ . 1 . 2]" 1
236 1 25 GLY H 1 26 CYS H . . 4.040 3.697 3.066 4.167 0.127 16 0 "[ . 1 . 2]" 1
237 1 25 GLY H 1 26 CYS QB . . 5.180 5.098 4.337 5.398 0.218 6 0 "[ . 1 . 2]" 1
238 1 25 GLY QA 1 26 CYS H . . 3.090 2.215 2.064 2.703 . 0 0 "[ . 1 . 2]" 1
239 1 26 CYS H 1 26 CYS QB . . 3.210 2.570 2.212 3.193 . 0 0 "[ . 1 . 2]" 1
240 1 26 CYS H 1 27 ASN H . . 4.810 4.450 3.983 4.563 . 0 0 "[ . 1 . 2]" 1
241 1 26 CYS H 1 37 CYS QB . . 5.340 5.172 4.666 5.567 0.227 14 0 "[ . 1 . 2]" 1
242 1 26 CYS HA 1 27 ASN H . . 3.080 2.213 2.085 2.554 . 0 0 "[ . 1 . 2]" 1
243 1 26 CYS HA 1 27 ASN HA . . 4.500 4.401 4.334 4.515 0.015 11 0 "[ . 1 . 2]" 1
244 1 26 CYS HA 1 27 ASN QB . . 4.430 4.179 3.874 4.480 0.050 10 0 "[ . 1 . 2]" 1
245 1 26 CYS HA 1 28 CYS H . . 4.390 3.622 3.225 4.441 0.051 11 0 "[ . 1 . 2]" 1
246 1 26 CYS QB 1 27 ASN H . . 3.730 2.909 1.995 3.953 0.223 10 0 "[ . 1 . 2]" 1
247 1 26 CYS QB 1 28 CYS H . . 3.900 2.658 2.122 4.032 0.132 10 0 "[ . 1 . 2]" 1
248 1 26 CYS QB 1 37 CYS QB . . 4.620 3.718 2.384 4.554 . 0 0 "[ . 1 . 2]" 1
249 1 27 ASN H 1 27 ASN QB . . 3.320 2.488 2.307 2.645 . 0 0 "[ . 1 . 2]" 1
250 1 27 ASN H 1 27 ASN QD . . 4.790 4.116 2.501 4.754 . 0 0 "[ . 1 . 2]" 1
251 1 27 ASN HA 1 27 ASN HD21 . . 4.790 3.276 1.813 4.522 . 0 0 "[ . 1 . 2]" 1
252 1 27 ASN HA 1 27 ASN QD . . 4.160 3.087 1.807 4.145 . 0 0 "[ . 1 . 2]" 1
253 1 27 ASN HA 1 27 ASN HD22 . . 4.790 4.086 3.427 4.813 0.023 20 0 "[ . 1 . 2]" 1
254 1 27 ASN QB 1 28 CYS H . . 4.280 3.538 2.994 3.961 . 0 0 "[ . 1 . 2]" 1
255 1 28 CYS H 1 28 CYS HB2 . . 3.720 3.331 2.433 3.690 . 0 0 "[ . 1 . 2]" 1
256 1 28 CYS H 1 28 CYS HB3 . . 3.720 3.120 2.649 3.626 . 0 0 "[ . 1 . 2]" 1
257 1 28 CYS H 1 29 LYS H . . 4.820 4.481 4.295 4.616 . 0 0 "[ . 1 . 2]" 1
258 1 28 CYS H 1 29 LYS QD . . 5.500 5.377 4.826 5.690 0.190 6 0 "[ . 1 . 2]" 1
259 1 28 CYS HA 1 29 LYS H . . 3.190 2.529 2.260 2.810 . 0 0 "[ . 1 . 2]" 1
260 1 28 CYS HA 1 29 LYS QB . . 5.050 4.606 4.270 4.825 . 0 0 "[ . 1 . 2]" 1
261 1 28 CYS HA 1 29 LYS QD . . 4.310 3.679 2.620 4.306 . 0 0 "[ . 1 . 2]" 1
262 1 28 CYS QB 1 29 LYS H . . 3.290 2.210 1.799 2.804 . 0 0 "[ . 1 . 2]" 1
263 1 28 CYS QB 1 29 LYS QD . . 5.320 4.554 3.488 5.163 . 0 0 "[ . 1 . 2]" 1
264 1 28 CYS HB2 1 29 LYS H . . 4.130 2.507 1.807 3.958 . 0 0 "[ . 1 . 2]" 1
265 1 28 CYS HB3 1 29 LYS H . . 4.130 3.257 2.129 3.835 . 0 0 "[ . 1 . 2]" 1
266 1 29 LYS H 1 29 LYS QB . . 3.540 2.491 2.143 3.189 . 0 0 "[ . 1 . 2]" 1
267 1 29 LYS H 1 29 LYS QD . . 3.750 3.040 1.975 3.689 . 0 0 "[ . 1 . 2]" 1
268 1 29 LYS H 1 29 LYS QG . . 3.750 2.703 2.143 3.752 0.002 5 0 "[ . 1 . 2]" 1
269 1 29 LYS H 1 30 GLU H . . 4.740 4.535 4.376 4.599 . 0 0 "[ . 1 . 2]" 1
270 1 29 LYS H 1 31 ASP H . . 5.250 4.485 3.712 5.028 . 0 0 "[ . 1 . 2]" 1
271 1 29 LYS H 1 32 CYS H . . 5.250 4.494 3.468 4.930 . 0 0 "[ . 1 . 2]" 1
272 1 29 LYS H 1 32 CYS QB . . 4.850 3.548 2.986 4.174 . 0 0 "[ . 1 . 2]" 1
273 1 29 LYS HA 1 29 LYS QD . . 3.540 2.269 1.896 3.675 0.135 18 0 "[ . 1 . 2]" 1
274 1 29 LYS HA 1 29 LYS QE . . 4.590 3.477 2.178 4.500 . 0 0 "[ . 1 . 2]" 1
275 1 29 LYS HA 1 29 LYS HG2 . . 4.210 3.384 3.133 3.721 . 0 0 "[ . 1 . 2]" 1
276 1 29 LYS HA 1 29 LYS QG . . 3.400 2.947 2.369 3.500 0.100 18 0 "[ . 1 . 2]" 1
277 1 29 LYS HA 1 29 LYS HG3 . . 4.210 3.496 2.402 4.259 0.049 18 0 "[ . 1 . 2]" 1
278 1 29 LYS QB 1 29 LYS QE . . 4.050 2.846 1.913 3.763 . 0 0 "[ . 1 . 2]" 1
279 1 29 LYS QB 1 31 ASP H . . 3.820 2.425 2.037 2.964 . 0 0 "[ . 1 . 2]" 1
280 1 29 LYS QB 1 31 ASP QB . . 4.210 2.967 2.531 3.899 . 0 0 "[ . 1 . 2]" 1
281 1 29 LYS HB2 1 29 LYS HE2 . . 5.500 4.398 3.582 4.921 . 0 0 "[ . 1 . 2]" 1
282 1 29 LYS HB2 1 29 LYS HE3 . . 5.500 4.213 3.553 4.947 . 0 0 "[ . 1 . 2]" 1
283 1 29 LYS HB2 1 30 GLU H . . 3.530 3.410 1.865 3.658 0.128 17 0 "[ . 1 . 2]" 1
284 1 29 LYS HB3 1 29 LYS HE2 . . 5.500 3.908 2.028 5.485 . 0 0 "[ . 1 . 2]" 1
285 1 29 LYS HB3 1 29 LYS HE3 . . 5.500 3.381 1.944 4.791 . 0 0 "[ . 1 . 2]" 1
286 1 29 LYS HB3 1 30 GLU H . . 3.530 2.406 2.108 3.373 . 0 0 "[ . 1 . 2]" 1
287 1 29 LYS QE 1 30 GLU H . . 5.340 4.443 2.811 5.640 0.300 2 0 "[ . 1 . 2]" 1
288 1 29 LYS QG 1 30 GLU H . . 4.910 3.983 3.023 4.429 . 0 0 "[ . 1 . 2]" 1
289 1 29 LYS QG 1 31 ASP H . . 4.830 4.189 2.119 4.699 . 0 0 "[ . 1 . 2]" 1
290 1 30 GLU H 1 30 GLU QB . . 3.430 2.560 2.206 2.734 . 0 0 "[ . 1 . 2]" 1
291 1 30 GLU H 1 30 GLU QG . . 3.780 2.390 1.828 3.909 0.129 10 0 "[ . 1 . 2]" 1
292 1 30 GLU H 1 31 ASP H . . 3.730 2.602 2.313 2.775 . 0 0 "[ . 1 . 2]" 1
293 1 30 GLU H 1 31 ASP QB . . 5.340 4.310 3.956 4.729 . 0 0 "[ . 1 . 2]" 1
294 1 30 GLU HA 1 30 GLU QG . . 3.490 3.288 2.466 3.495 0.005 15 0 "[ . 1 . 2]" 1
295 1 30 GLU HA 1 31 ASP QB . . 5.340 5.068 4.896 5.350 0.010 20 0 "[ . 1 . 2]" 1
296 1 30 GLU HA 1 32 CYS H . . 4.120 3.363 3.124 3.698 . 0 0 "[ . 1 . 2]" 1
297 1 30 GLU HA 1 32 CYS QB . . 4.920 4.019 3.667 4.451 . 0 0 "[ . 1 . 2]" 1
298 1 30 GLU QB 1 31 ASP H . . 4.140 3.715 2.882 3.953 . 0 0 "[ . 1 . 2]" 1
299 1 30 GLU HB2 1 31 ASP H . . 4.840 4.208 3.812 4.376 . 0 0 "[ . 1 . 2]" 1
300 1 30 GLU HB2 1 32 CYS H . . 5.500 5.078 4.830 5.412 . 0 0 "[ . 1 . 2]" 1
301 1 30 GLU HB3 1 31 ASP H . . 4.840 4.188 2.949 4.536 . 0 0 "[ . 1 . 2]" 1
302 1 30 GLU HB3 1 32 CYS H . . 5.500 5.398 4.879 5.552 0.052 16 0 "[ . 1 . 2]" 1
303 1 30 GLU QG 1 31 ASP H . . 3.990 3.045 2.217 3.840 . 0 0 "[ . 1 . 2]" 1
304 1 30 GLU QG 1 31 ASP HA . . 4.500 3.668 3.039 4.030 . 0 0 "[ . 1 . 2]" 1
305 1 30 GLU QG 1 31 ASP QB . . 4.510 3.761 2.590 4.637 0.127 17 0 "[ . 1 . 2]" 1
306 1 31 ASP H 1 31 ASP HB2 . . 3.710 2.578 2.259 2.821 . 0 0 "[ . 1 . 2]" 1
307 1 31 ASP H 1 31 ASP QB . . 3.210 2.319 2.226 2.512 . 0 0 "[ . 1 . 2]" 1
308 1 31 ASP H 1 31 ASP HB3 . . 3.710 2.788 2.363 3.600 . 0 0 "[ . 1 . 2]" 1
309 1 31 ASP H 1 32 CYS H . . 3.270 2.500 2.101 2.963 . 0 0 "[ . 1 . 2]" 1
310 1 31 ASP H 1 32 CYS HA . . 5.500 4.837 4.407 5.279 . 0 0 "[ . 1 . 2]" 1
311 1 31 ASP H 1 32 CYS QB . . 4.740 4.099 3.727 4.506 . 0 0 "[ . 1 . 2]" 1
312 1 31 ASP QB 1 32 CYS H . . 3.820 3.311 2.959 3.831 0.011 16 0 "[ . 1 . 2]" 1
313 1 31 ASP QB 1 32 CYS QB . . 5.160 4.449 3.871 5.131 . 0 0 "[ . 1 . 2]" 1
314 1 31 ASP HB2 1 32 CYS H . . 4.470 4.080 3.149 4.535 0.065 16 0 "[ . 1 . 2]" 1
315 1 31 ASP HB3 1 32 CYS H . . 4.470 3.624 3.041 4.245 . 0 0 "[ . 1 . 2]" 1
316 1 32 CYS H 1 32 CYS HB2 . . 3.130 2.490 2.332 2.624 . 0 0 "[ . 1 . 2]" 1
317 1 32 CYS H 1 32 CYS HB3 . . 3.130 2.537 2.416 2.687 . 0 0 "[ . 1 . 2]" 1
318 1 32 CYS H 1 33 ARG H . . 4.790 4.119 2.535 4.634 . 0 0 "[ . 1 . 2]" 1
319 1 32 CYS H 1 33 ARG HA . . 5.500 5.282 4.758 5.564 0.064 4 0 "[ . 1 . 2]" 1
320 1 32 CYS HA 1 34 CYS H . . 4.580 4.210 3.775 4.628 0.048 13 0 "[ . 1 . 2]" 1
321 1 32 CYS QB 1 33 ARG H . . 3.780 3.275 2.217 3.775 . 0 0 "[ . 1 . 2]" 1
322 1 32 CYS QB 1 33 ARG HA . . 4.680 4.495 4.187 4.695 0.015 19 0 "[ . 1 . 2]" 1
323 1 32 CYS HB2 1 33 ARG H . . 4.400 4.036 3.667 4.361 . 0 0 "[ . 1 . 2]" 1
324 1 32 CYS HB3 1 33 ARG H . . 4.400 3.541 2.235 4.136 . 0 0 "[ . 1 . 2]" 1
325 1 33 ARG H 1 33 ARG HB2 . . 4.040 2.795 2.379 3.579 . 0 0 "[ . 1 . 2]" 1
326 1 33 ARG H 1 33 ARG QB . . 3.520 2.661 2.348 3.357 . 0 0 "[ . 1 . 2]" 1
327 1 33 ARG H 1 33 ARG HB3 . . 4.040 3.574 2.635 4.091 0.051 13 0 "[ . 1 . 2]" 1
328 1 33 ARG H 1 33 ARG HD2 . . 5.390 4.647 2.883 5.447 0.057 11 0 "[ . 1 . 2]" 1
329 1 33 ARG H 1 33 ARG QD . . 4.700 3.898 2.501 4.500 . 0 0 "[ . 1 . 2]" 1
330 1 33 ARG H 1 33 ARG HD3 . . 5.390 4.442 2.519 5.417 0.027 5 0 "[ . 1 . 2]" 1
331 1 33 ARG H 1 33 ARG QG . . 4.700 3.427 2.664 4.455 . 0 0 "[ . 1 . 2]" 1
332 1 33 ARG H 1 34 CYS H . . 3.190 2.718 2.302 3.286 0.096 8 0 "[ . 1 . 2]" 1
333 1 33 ARG H 1 34 CYS HB2 . . 4.720 4.173 3.676 4.781 0.061 16 0 "[ . 1 . 2]" 1
334 1 33 ARG HA 1 33 ARG HD2 . . 3.790 2.903 2.008 4.144 0.354 6 0 "[ . 1 . 2]" 1
335 1 33 ARG HA 1 33 ARG HD3 . . 3.790 2.885 1.982 3.749 . 0 0 "[ . 1 . 2]" 1
336 1 33 ARG HA 1 33 ARG QG . . 3.250 2.746 2.271 3.020 . 0 0 "[ . 1 . 2]" 1
337 1 33 ARG HA 1 38 LYS QG . . 4.850 3.797 2.472 4.924 0.074 11 0 "[ . 1 . 2]" 1
338 1 33 ARG QB 1 33 ARG QD . . 3.340 2.430 2.229 2.858 . 0 0 "[ . 1 . 2]" 1
339 1 33 ARG QB 1 34 CYS H . . 4.060 3.791 3.529 3.973 . 0 0 "[ . 1 . 2]" 1
340 1 33 ARG HB2 1 34 CYS H . . 4.660 4.271 3.759 4.633 . 0 0 "[ . 1 . 2]" 1
341 1 33 ARG HB3 1 34 CYS H . . 4.660 4.292 3.889 4.484 . 0 0 "[ . 1 . 2]" 1
342 1 33 ARG QG 1 34 CYS H . . 5.010 4.668 4.491 4.911 . 0 0 "[ . 1 . 2]" 1
343 1 34 CYS H 1 34 CYS HB2 . . 3.220 2.458 2.064 2.886 . 0 0 "[ . 1 . 2]" 1
344 1 34 CYS H 1 34 CYS HB3 . . 3.580 2.858 2.612 3.484 . 0 0 "[ . 1 . 2]" 1
345 1 34 CYS H 1 37 CYS H . . 5.210 4.908 4.429 5.237 0.027 12 0 "[ . 1 . 2]" 1
346 1 34 CYS H 1 38 LYS QB . . 4.530 4.027 2.916 4.725 0.195 2 0 "[ . 1 . 2]" 1
347 1 34 CYS H 1 38 LYS QG . . 4.530 4.240 2.910 4.872 0.342 1 0 "[ . 1 . 2]" 1
348 1 34 CYS HA 1 35 GLN H . . 2.830 2.165 2.102 2.413 . 0 0 "[ . 1 . 2]" 1
349 1 34 CYS HA 1 35 GLN QE . . 4.700 4.200 2.636 4.954 0.254 6 0 "[ . 1 . 2]" 1
350 1 34 CYS HA 1 36 SER H . . 3.920 3.636 3.362 4.040 0.120 9 0 "[ . 1 . 2]" 1
351 1 34 CYS HA 1 37 CYS H . . 4.900 4.802 4.651 4.984 0.084 18 0 "[ . 1 . 2]" 1
352 1 34 CYS HB2 1 35 GLN H . . 4.740 4.414 3.785 4.625 . 0 0 "[ . 1 . 2]" 1
353 1 34 CYS HB2 1 36 SER H . . 4.740 4.585 4.244 4.861 0.121 10 0 "[ . 1 . 2]" 1
354 1 34 CYS HB2 1 37 CYS H . . 4.540 4.463 3.546 4.645 0.105 15 0 "[ . 1 . 2]" 1
355 1 34 CYS HB3 1 35 GLN H . . 4.320 3.942 2.367 4.240 . 0 0 "[ . 1 . 2]" 1
356 1 34 CYS HB3 1 36 SER H . . 4.500 3.388 2.548 3.822 . 0 0 "[ . 1 . 2]" 1
357 1 34 CYS HB3 1 36 SER HA . . 5.500 5.569 5.154 5.717 0.217 17 0 "[ . 1 . 2]" 1
358 1 34 CYS HB3 1 37 CYS H . . 3.990 2.773 2.378 2.925 . 0 0 "[ . 1 . 2]" 1
359 1 34 CYS HB3 1 38 LYS H . . 5.250 4.371 3.508 4.876 . 0 0 "[ . 1 . 2]" 1
360 1 35 GLN H 1 35 GLN HB2 . . 3.810 2.479 2.263 2.850 . 0 0 "[ . 1 . 2]" 1
361 1 35 GLN H 1 35 GLN QB . . 3.120 2.437 2.238 2.770 . 0 0 "[ . 1 . 2]" 1
362 1 35 GLN H 1 35 GLN HB3 . . 3.810 3.605 3.538 3.772 . 0 0 "[ . 1 . 2]" 1
363 1 35 GLN H 1 35 GLN HG2 . . 3.950 2.549 2.070 3.969 0.019 7 0 "[ . 1 . 2]" 1
364 1 35 GLN H 1 35 GLN QG . . 3.370 2.441 2.056 3.436 0.066 16 0 "[ . 1 . 2]" 1
365 1 35 GLN H 1 35 GLN HG3 . . 3.950 3.674 3.244 3.954 0.004 16 0 "[ . 1 . 2]" 1
366 1 35 GLN H 1 36 SER HA . . 5.460 5.114 4.595 5.355 . 0 0 "[ . 1 . 2]" 1
367 1 35 GLN H 1 36 SER QB . . 4.940 4.681 4.004 4.994 0.054 10 0 "[ . 1 . 2]" 1
368 1 35 GLN HA 1 35 GLN QE . . 4.110 2.699 2.208 3.518 . 0 0 "[ . 1 . 2]" 1
369 1 35 GLN HA 1 35 GLN HG2 . . 3.880 3.138 2.858 3.683 . 0 0 "[ . 1 . 2]" 1
370 1 35 GLN HA 1 35 GLN HG3 . . 3.880 3.556 2.339 3.886 0.006 9 0 "[ . 1 . 2]" 1
371 1 35 GLN HA 1 37 CYS H . . 4.370 4.198 3.611 4.541 0.171 6 0 "[ . 1 . 2]" 1
372 1 35 GLN HA 1 38 LYS QB . . 3.870 2.239 1.825 3.177 . 0 0 "[ . 1 . 2]" 1
373 1 35 GLN HA 1 38 LYS QE . . 4.630 3.931 2.268 5.063 0.433 20 0 "[ . 1 . 2]" 1
374 1 35 GLN QB 1 36 SER H . . 3.660 2.969 2.628 3.222 . 0 0 "[ . 1 . 2]" 1
375 1 35 GLN QB 1 36 SER HA . . 4.710 3.933 3.763 4.101 . 0 0 "[ . 1 . 2]" 1
376 1 35 GLN QB 1 37 CYS H . . 5.340 4.919 4.612 5.194 . 0 0 "[ . 1 . 2]" 1
377 1 35 GLN HB2 1 36 SER H . . 4.250 3.076 2.702 3.389 . 0 0 "[ . 1 . 2]" 1
378 1 35 GLN HB3 1 36 SER H . . 4.250 3.934 3.472 4.234 . 0 0 "[ . 1 . 2]" 1
379 1 35 GLN QE 1 35 GLN QG . . 3.070 2.180 2.071 2.693 . 0 0 "[ . 1 . 2]" 1
380 1 35 GLN QE 1 38 LYS QD . . 4.620 3.498 1.733 4.933 0.313 15 0 "[ . 1 . 2]" 1
381 1 35 GLN QE 1 38 LYS QE . . 3.570 2.888 2.099 3.868 0.298 15 0 "[ . 1 . 2]" 1
382 1 35 GLN QE 1 38 LYS QG . . 3.670 3.413 2.135 4.061 0.391 19 0 "[ . 1 . 2]" 1
383 1 35 GLN HE21 1 38 LYS QE . . 4.270 3.632 2.484 4.404 0.134 14 0 "[ . 1 . 2]" 1
384 1 35 GLN HE22 1 38 LYS QE . . 4.270 3.183 2.125 4.449 0.179 15 0 "[ . 1 . 2]" 1
385 1 35 GLN QG 1 36 SER H . . 4.560 4.279 3.841 4.703 0.143 15 0 "[ . 1 . 2]" 1
386 1 35 GLN HG2 1 36 SER H . . 5.440 4.580 3.968 5.469 0.029 15 0 "[ . 1 . 2]" 1
387 1 35 GLN HG3 1 36 SER H . . 5.440 5.229 4.938 5.543 0.103 8 0 "[ . 1 . 2]" 1
388 1 36 SER H 1 36 SER HB2 . . 3.750 2.614 2.369 3.524 . 0 0 "[ . 1 . 2]" 1
389 1 36 SER H 1 36 SER QB . . 2.930 2.500 2.230 2.704 . 0 0 "[ . 1 . 2]" 1
390 1 36 SER H 1 36 SER HB3 . . 3.750 3.423 2.583 3.631 . 0 0 "[ . 1 . 2]" 1
391 1 36 SER H 1 37 CYS H . . 3.010 2.715 2.404 3.014 0.004 17 0 "[ . 1 . 2]" 1
392 1 36 SER H 1 38 LYS H . . 4.430 3.898 3.567 4.143 . 0 0 "[ . 1 . 2]" 1
393 1 36 SER QB 1 37 CYS H . . 3.600 2.643 2.247 3.308 . 0 0 "[ . 1 . 2]" 1
394 1 36 SER HB2 1 37 CYS H . . 4.140 2.813 2.270 3.948 . 0 0 "[ . 1 . 2]" 1
395 1 36 SER HB2 1 38 LYS H . . 5.500 4.861 4.259 5.545 0.045 14 0 "[ . 1 . 2]" 1
396 1 36 SER HB3 1 37 CYS H . . 4.140 3.696 2.612 4.115 . 0 0 "[ . 1 . 2]" 1
397 1 36 SER HB3 1 38 LYS H . . 5.500 5.423 4.799 5.618 0.118 10 0 "[ . 1 . 2]" 1
398 1 37 CYS H 1 37 CYS HB2 . . 4.000 3.646 3.350 3.793 . 0 0 "[ . 1 . 2]" 1
399 1 37 CYS H 1 37 CYS QB . . 3.460 3.081 2.868 3.220 . 0 0 "[ . 1 . 2]" 1
400 1 37 CYS H 1 37 CYS HB3 . . 4.000 3.336 2.994 3.654 . 0 0 "[ . 1 . 2]" 1
401 1 37 CYS H 1 38 LYS H . . 2.920 2.323 1.845 2.762 . 0 0 "[ . 1 . 2]" 1
402 1 37 CYS H 1 38 LYS QB . . 4.170 3.701 3.244 4.015 . 0 0 "[ . 1 . 2]" 1
403 1 37 CYS H 1 39 TYR H . . 5.130 4.806 4.136 5.281 0.151 12 0 "[ . 1 . 2]" 1
404 1 37 CYS HA 1 39 TYR H . . 4.430 3.740 2.971 4.502 0.072 12 0 "[ . 1 . 2]" 1
405 1 37 CYS HB2 1 38 LYS H . . 4.760 4.274 3.825 4.427 . 0 0 "[ . 1 . 2]" 1
406 1 37 CYS HB3 1 38 LYS H . . 4.760 4.580 4.329 4.675 . 0 0 "[ . 1 . 2]" 1
407 1 38 LYS H 1 38 LYS HB2 . . 3.320 2.508 2.077 2.970 . 0 0 "[ . 1 . 2]" 1
408 1 38 LYS H 1 38 LYS QB . . 2.910 2.303 2.054 2.670 . 0 0 "[ . 1 . 2]" 1
409 1 38 LYS H 1 38 LYS HB3 . . 3.320 2.835 2.493 3.509 0.189 10 0 "[ . 1 . 2]" 1
410 1 38 LYS H 1 38 LYS QE . . 5.500 4.796 4.265 5.802 0.302 14 0 "[ . 1 . 2]" 1
411 1 38 LYS H 1 38 LYS HG2 . . 5.350 4.428 3.670 4.857 . 0 0 "[ . 1 . 2]" 1
412 1 38 LYS H 1 38 LYS QG . . 4.520 3.937 3.123 4.229 . 0 0 "[ . 1 . 2]" 1
413 1 38 LYS H 1 38 LYS HG3 . . 5.350 4.451 3.269 5.017 . 0 0 "[ . 1 . 2]" 1
414 1 38 LYS H 1 39 TYR H . . 3.220 2.846 2.270 3.585 0.365 8 0 "[ . 1 . 2]" 1
415 1 38 LYS H 1 39 TYR QB . . 4.800 4.753 4.115 5.155 0.355 18 0 "[ . 1 . 2]" 1
416 1 38 LYS HA 1 38 LYS HD2 . . 4.480 3.710 2.172 4.708 0.228 20 0 "[ . 1 . 2]" 1
417 1 38 LYS HA 1 38 LYS QD . . 3.750 3.204 2.100 4.009 0.259 10 0 "[ . 1 . 2]" 1
418 1 38 LYS HA 1 38 LYS HD3 . . 4.480 3.856 2.111 4.609 0.129 11 0 "[ . 1 . 2]" 1
419 1 38 LYS HA 1 38 LYS QE . . 4.770 3.981 2.549 4.932 0.162 17 0 "[ . 1 . 2]" 1
420 1 38 LYS HA 1 38 LYS QG . . 3.380 2.381 2.070 3.093 . 0 0 "[ . 1 . 2]" 1
421 1 38 LYS QB 1 38 LYS QE . . 3.800 2.381 1.869 3.612 . 0 0 "[ . 1 . 2]" 1
422 1 38 LYS QB 1 39 TYR H . . 3.930 3.384 2.341 3.971 0.041 3 0 "[ . 1 . 2]" 1
423 1 38 LYS HB2 1 38 LYS QE . . 4.650 3.181 2.011 4.336 . 0 0 "[ . 1 . 2]" 1
424 1 38 LYS HB2 1 39 TYR H . . 4.780 4.115 3.166 4.630 . 0 0 "[ . 1 . 2]" 1
425 1 38 LYS HB3 1 38 LYS QE . . 4.650 2.698 1.885 4.440 . 0 0 "[ . 1 . 2]" 1
426 1 38 LYS HB3 1 39 TYR H . . 4.780 3.654 2.369 4.366 . 0 0 "[ . 1 . 2]" 1
427 1 38 LYS QD 1 39 TYR H . . 5.340 4.588 3.119 5.452 0.112 10 0 "[ . 1 . 2]" 1
428 1 38 LYS QE 1 38 LYS QG . . 3.370 2.335 2.106 2.712 . 0 0 "[ . 1 . 2]" 1
429 1 38 LYS QG 1 39 TYR H . . 4.800 4.325 3.828 4.755 . 0 0 "[ . 1 . 2]" 1
430 1 38 LYS HG2 1 39 TYR H . . 5.500 4.782 4.015 5.754 0.254 1 0 "[ . 1 . 2]" 1
431 1 38 LYS HG3 1 39 TYR H . . 5.500 5.198 4.281 5.688 0.188 5 0 "[ . 1 . 2]" 1
432 1 39 TYR H 1 39 TYR HB2 . . 3.850 3.194 2.284 3.930 0.080 15 0 "[ . 1 . 2]" 1
433 1 39 TYR H 1 39 TYR QB . . 3.190 2.716 2.258 3.249 0.059 15 0 "[ . 1 . 2]" 1
434 1 39 TYR H 1 39 TYR HB3 . . 3.850 3.273 2.562 3.860 0.010 17 0 "[ . 1 . 2]" 1
435 1 39 TYR H 1 40 GLY H . . 4.800 4.003 2.014 4.624 . 0 0 "[ . 1 . 2]" 1
436 1 39 TYR QB 1 40 GLY H . . 3.130 2.386 1.994 3.045 . 0 0 "[ . 1 . 2]" 1
437 1 39 TYR QB 1 40 GLY QA . . 4.440 3.862 3.619 4.115 . 0 0 "[ . 1 . 2]" 1
438 1 39 TYR QB 1 43 CYS H . . 3.120 2.660 2.120 3.268 0.148 12 0 "[ . 1 . 2]" 1
439 1 39 TYR QB 1 43 CYS HA . . 5.100 4.733 4.233 5.181 0.081 3 0 "[ . 1 . 2]" 1
440 1 39 TYR QB 1 43 CYS QB . . 3.650 2.942 1.909 3.856 0.206 17 0 "[ . 1 . 2]" 1
441 1 39 TYR QB 1 48 LYS QE . . 3.350 2.873 2.072 3.550 0.200 13 0 "[ . 1 . 2]" 1
442 1 39 TYR HB2 1 40 GLY H . . 3.660 2.801 2.048 3.698 0.038 6 0 "[ . 1 . 2]" 1
443 1 39 TYR HB2 1 43 CYS H . . 3.800 3.035 2.131 3.975 0.175 11 0 "[ . 1 . 2]" 1
444 1 39 TYR HB3 1 40 GLY H . . 3.660 3.222 2.014 3.888 0.228 2 0 "[ . 1 . 2]" 1
445 1 39 TYR HB3 1 43 CYS H . . 3.800 3.473 2.495 3.981 0.181 16 0 "[ . 1 . 2]" 1
446 1 40 GLY H 1 42 GLY H . . 4.810 3.678 2.828 4.379 . 0 0 "[ . 1 . 2]" 1
447 1 40 GLY H 1 43 CYS H . . 4.260 3.974 3.141 4.380 0.120 9 0 "[ . 1 . 2]" 1
448 1 40 GLY H 1 43 CYS QB . . 4.200 4.159 3.061 4.552 0.352 2 0 "[ . 1 . 2]" 1
449 1 40 GLY QA 1 41 ALA H . . 2.880 2.282 2.084 2.901 0.021 4 0 "[ . 1 . 2]" 1
450 1 40 GLY QA 1 41 ALA MB . . 3.750 3.675 3.519 3.983 0.233 10 0 "[ . 1 . 2]" 1
451 1 41 ALA H 1 41 ALA MB . . 2.840 2.608 2.234 2.956 0.116 5 0 "[ . 1 . 2]" 1
452 1 41 ALA H 1 42 GLY H . . 3.410 2.744 1.823 3.552 0.142 15 0 "[ . 1 . 2]" 1
453 1 41 ALA HA 1 42 GLY H . . 3.470 3.226 2.442 3.540 0.070 9 0 "[ . 1 . 2]" 1
454 1 41 ALA MB 1 42 GLY H . . 3.600 3.070 2.172 3.669 0.069 8 0 "[ . 1 . 2]" 1
455 1 41 ALA MB 1 42 GLY QA . . 4.520 3.885 3.508 4.215 . 0 0 "[ . 1 . 2]" 1
456 1 42 GLY H 1 43 CYS H . . 3.450 2.695 1.773 3.454 0.004 9 0 "[ . 1 . 2]" 1
457 1 43 CYS H 1 43 CYS QB . . 2.900 2.387 2.194 2.573 . 0 0 "[ . 1 . 2]" 1
458 1 43 CYS H 1 48 LYS HE2 . . 5.160 4.582 4.038 5.234 0.074 1 0 "[ . 1 . 2]" 1
459 1 43 CYS H 1 48 LYS QE . . 4.380 4.094 3.615 4.501 0.121 1 0 "[ . 1 . 2]" 1
460 1 43 CYS H 1 48 LYS HE3 . . 5.160 4.741 3.782 5.303 0.143 19 0 "[ . 1 . 2]" 1
461 1 43 CYS HA 1 44 THR H . . 2.940 2.459 2.196 3.286 0.346 12 0 "[ . 1 . 2]" 1
462 1 43 CYS HA 1 44 THR HA . . 5.200 4.307 4.200 4.578 . 0 0 "[ . 1 . 2]" 1
463 1 43 CYS HA 1 44 THR MG . . 4.270 3.798 3.481 4.515 0.245 15 0 "[ . 1 . 2]" 1
464 1 43 CYS QB 1 44 THR H . . 3.660 2.879 1.802 3.629 . 0 0 "[ . 1 . 2]" 1
465 1 43 CYS QB 1 44 THR MG . . 5.500 4.763 4.080 5.513 0.013 18 0 "[ . 1 . 2]" 1
466 1 43 CYS QB 1 48 LYS QD . . 4.730 4.205 3.368 4.837 0.107 9 0 "[ . 1 . 2]" 1
467 1 43 CYS QB 1 48 LYS HE2 . . 3.830 2.640 1.846 3.722 . 0 0 "[ . 1 . 2]" 1
468 1 43 CYS QB 1 48 LYS QE . . 3.260 2.432 1.811 3.210 . 0 0 "[ . 1 . 2]" 1
469 1 43 CYS QB 1 48 LYS HE3 . . 3.830 3.108 2.010 4.007 0.177 6 0 "[ . 1 . 2]" 1
470 1 43 CYS QB 1 48 LYS QG . . 4.470 3.842 3.223 4.538 0.068 20 0 "[ . 1 . 2]" 1
471 1 44 THR H 1 44 THR HB . . 4.040 3.560 3.251 3.797 . 0 0 "[ . 1 . 2]" 1
472 1 44 THR H 1 44 THR MG . . 3.030 2.632 2.267 3.104 0.074 15 0 "[ . 1 . 2]" 1
473 1 44 THR H 1 47 CYS HB2 . . 4.270 3.926 3.213 4.409 0.139 7 0 "[ . 1 . 2]" 1
474 1 44 THR H 1 47 CYS HB3 . . 4.030 3.550 3.073 4.135 0.105 10 0 "[ . 1 . 2]" 1
475 1 44 THR HA 1 44 THR MG . . 2.810 2.255 2.084 2.327 . 0 0 "[ . 1 . 2]" 1
476 1 44 THR HA 1 45 ASP H . . 3.220 2.289 2.132 2.468 . 0 0 "[ . 1 . 2]" 1
477 1 44 THR HA 1 46 VAL H . . 4.400 3.923 3.514 4.349 . 0 0 "[ . 1 . 2]" 1
478 1 44 THR HB 1 45 ASP HA . . 5.090 4.740 4.595 4.914 . 0 0 "[ . 1 . 2]" 1
479 1 44 THR HB 1 45 ASP QB . . 5.030 4.540 4.078 5.083 0.053 20 0 "[ . 1 . 2]" 1
480 1 44 THR HB 1 46 VAL H . . 3.260 2.496 2.196 2.889 . 0 0 "[ . 1 . 2]" 1
481 1 44 THR HB 1 46 VAL HB . . 4.280 3.179 2.706 3.610 . 0 0 "[ . 1 . 2]" 1
482 1 44 THR HB 1 46 VAL MG1 . . 4.940 4.665 4.284 5.021 0.081 9 0 "[ . 1 . 2]" 1
483 1 44 THR HB 1 46 VAL MG2 . . 4.210 3.024 2.273 3.649 . 0 0 "[ . 1 . 2]" 1
484 1 44 THR HB 1 47 CYS H . . 4.110 3.245 2.183 3.839 . 0 0 "[ . 1 . 2]" 1
485 1 44 THR HB 1 47 CYS HB2 . . 5.020 4.356 2.736 5.122 0.102 13 0 "[ . 1 . 2]" 1
486 1 44 THR MG 1 45 ASP H . . 3.870 3.522 3.142 3.734 . 0 0 "[ . 1 . 2]" 1
487 1 44 THR MG 1 45 ASP QB . . 5.340 5.089 4.404 5.382 0.042 12 0 "[ . 1 . 2]" 1
488 1 44 THR MG 1 46 VAL H . . 4.510 3.963 3.001 4.279 . 0 0 "[ . 1 . 2]" 1
489 1 44 THR MG 1 46 VAL HB . . 4.670 4.085 2.982 4.466 . 0 0 "[ . 1 . 2]" 1
490 1 44 THR MG 1 47 CYS H . . 5.270 4.461 3.749 4.815 . 0 0 "[ . 1 . 2]" 1
491 1 44 THR MG 1 47 CYS HB2 . . 5.150 4.579 4.101 5.138 . 0 0 "[ . 1 . 2]" 1
492 1 44 THR MG 1 60 ASN HB2 . . 3.970 2.862 1.930 3.743 . 0 0 "[ . 1 . 2]" 1
493 1 44 THR MG 1 60 ASN QB . . 3.150 2.291 1.793 2.899 . 0 0 "[ . 1 . 2]" 1
494 1 44 THR MG 1 60 ASN HB3 . . 3.970 2.575 1.824 3.513 . 0 0 "[ . 1 . 2]" 1
495 1 44 THR MG 1 60 ASN QD . . 4.330 3.018 1.917 4.470 0.140 14 0 "[ . 1 . 2]" 1
496 1 44 THR MG 1 61 CYS H . . 4.820 4.368 3.361 4.889 0.069 11 0 "[ . 1 . 2]" 1
497 1 45 ASP H 1 45 ASP HB2 . . 3.780 2.762 2.368 3.620 . 0 0 "[ . 1 . 2]" 1
498 1 45 ASP H 1 45 ASP QB . . 3.180 2.380 2.232 2.586 . 0 0 "[ . 1 . 2]" 1
499 1 45 ASP H 1 45 ASP HB3 . . 3.780 3.060 2.415 3.622 . 0 0 "[ . 1 . 2]" 1
500 1 45 ASP H 1 46 VAL H . . 3.590 2.455 2.272 2.615 . 0 0 "[ . 1 . 2]" 1
501 1 45 ASP H 1 46 VAL HB . . 5.390 4.823 4.585 5.050 . 0 0 "[ . 1 . 2]" 1
502 1 45 ASP H 1 46 VAL MG2 . . 4.570 3.542 3.324 3.716 . 0 0 "[ . 1 . 2]" 1
503 1 45 ASP HA 1 46 VAL HA . . 4.940 4.808 4.738 4.873 . 0 0 "[ . 1 . 2]" 1
504 1 45 ASP HA 1 46 VAL MG2 . . 4.960 4.842 4.714 4.979 0.019 8 0 "[ . 1 . 2]" 1
505 1 45 ASP HA 1 47 CYS H . . 4.670 3.804 3.576 4.030 . 0 0 "[ . 1 . 2]" 1
506 1 45 ASP HA 1 48 LYS H . . 3.810 3.103 2.849 3.352 . 0 0 "[ . 1 . 2]" 1
507 1 45 ASP HA 1 48 LYS HB2 . . 3.400 2.787 2.454 3.339 . 0 0 "[ . 1 . 2]" 1
508 1 45 ASP HA 1 48 LYS QD . . 4.630 3.253 1.821 4.835 0.205 4 0 "[ . 1 . 2]" 1
509 1 45 ASP HA 1 48 LYS HE2 . . 5.500 4.302 3.035 5.563 0.063 11 0 "[ . 1 . 2]" 1
510 1 45 ASP HA 1 48 LYS HE3 . . 5.500 4.507 2.578 5.650 0.150 7 0 "[ . 1 . 2]" 1
511 1 45 ASP QB 1 46 VAL H . . 3.530 3.059 2.696 3.604 0.074 3 0 "[ . 1 . 2]" 1
512 1 45 ASP QB 1 46 VAL MG2 . . 4.050 3.585 3.144 4.152 0.102 4 0 "[ . 1 . 2]" 1
513 1 45 ASP QB 1 47 CYS H . . 5.160 4.694 4.457 5.024 . 0 0 "[ . 1 . 2]" 1
514 1 45 ASP QB 1 48 LYS HB2 . . 5.340 3.985 3.414 4.676 . 0 0 "[ . 1 . 2]" 1
515 1 45 ASP QB 1 49 GLN QE . . 5.180 4.627 3.668 5.216 0.036 5 0 "[ . 1 . 2]" 1
516 1 45 ASP QB 1 49 GLN QG . . 5.040 4.458 3.647 5.106 0.066 9 0 "[ . 1 . 2]" 1
517 1 45 ASP HB2 1 46 VAL MG2 . . 4.640 4.115 3.215 4.753 0.113 2 0 "[ . 1 . 2]" 1
518 1 45 ASP HB3 1 46 VAL MG2 . . 4.640 4.285 3.330 4.700 0.060 17 0 "[ . 1 . 2]" 1
519 1 46 VAL H 1 46 VAL HB . . 2.930 2.619 2.534 2.758 . 0 0 "[ . 1 . 2]" 1
520 1 46 VAL H 1 46 VAL MG1 . . 4.050 3.764 3.737 3.799 . 0 0 "[ . 1 . 2]" 1
521 1 46 VAL H 1 46 VAL MG2 . . 2.960 1.937 1.793 2.055 . 0 0 "[ . 1 . 2]" 1
522 1 46 VAL H 1 47 CYS H . . 3.260 2.549 2.429 2.702 . 0 0 "[ . 1 . 2]" 1
523 1 46 VAL H 1 47 CYS HB3 . . 5.150 4.719 4.525 4.964 . 0 0 "[ . 1 . 2]" 1
524 1 46 VAL H 1 49 GLN QG . . 4.730 4.352 3.939 4.718 . 0 0 "[ . 1 . 2]" 1
525 1 46 VAL HA 1 46 VAL MG1 . . 3.070 2.368 2.298 2.428 . 0 0 "[ . 1 . 2]" 1
526 1 46 VAL HA 1 46 VAL MG2 . . 2.890 2.442 2.366 2.548 . 0 0 "[ . 1 . 2]" 1
527 1 46 VAL HA 1 47 CYS HA . . 4.720 4.718 4.669 4.777 0.057 15 0 "[ . 1 . 2]" 1
528 1 46 VAL HA 1 49 GLN HB2 . . 4.620 3.979 3.489 4.384 . 0 0 "[ . 1 . 2]" 1
529 1 46 VAL HA 1 49 GLN HE21 . . 4.140 2.274 1.747 3.085 . 0 0 "[ . 1 . 2]" 1
530 1 46 VAL HA 1 49 GLN HE22 . . 4.140 3.342 2.876 4.195 0.055 20 0 "[ . 1 . 2]" 1
531 1 46 VAL HA 1 49 GLN HG2 . . 3.670 3.312 2.062 3.684 0.014 19 0 "[ . 1 . 2]" 1
532 1 46 VAL HA 1 49 GLN QG . . 3.080 2.083 1.858 2.303 . 0 0 "[ . 1 . 2]" 1
533 1 46 VAL HA 1 49 GLN HG3 . . 3.670 2.144 1.868 2.521 . 0 0 "[ . 1 . 2]" 1
534 1 46 VAL HB 1 47 CYS H . . 3.410 2.915 2.744 3.199 . 0 0 "[ . 1 . 2]" 1
535 1 46 VAL HB 1 47 CYS HB2 . . 4.430 4.265 4.165 4.474 0.044 20 0 "[ . 1 . 2]" 1
536 1 46 VAL HB 1 54 CYS HA . . 4.350 3.653 2.841 4.536 0.186 9 0 "[ . 1 . 2]" 1
537 1 46 VAL MG1 1 47 CYS H . . 4.660 3.797 3.589 3.972 . 0 0 "[ . 1 . 2]" 1
538 1 46 VAL MG1 1 47 CYS HA . . 3.990 3.814 3.528 4.011 0.021 6 0 "[ . 1 . 2]" 1
539 1 46 VAL MG1 1 49 GLN H . . 4.770 4.578 4.459 4.703 . 0 0 "[ . 1 . 2]" 1
540 1 46 VAL MG1 1 49 GLN HB2 . . 4.520 3.978 3.610 4.399 . 0 0 "[ . 1 . 2]" 1
541 1 46 VAL MG1 1 49 GLN QE . . 4.070 2.409 1.882 3.841 . 0 0 "[ . 1 . 2]" 1
542 1 46 VAL MG1 1 53 GLY H . . 3.630 2.908 2.339 3.185 . 0 0 "[ . 1 . 2]" 1
543 1 46 VAL MG1 1 53 GLY HA2 . . 3.940 3.804 3.335 4.197 0.257 6 0 "[ . 1 . 2]" 1
544 1 46 VAL MG1 1 53 GLY HA3 . . 3.650 2.699 1.983 3.337 . 0 0 "[ . 1 . 2]" 1
545 1 46 VAL MG1 1 54 CYS H . . 3.400 2.942 2.574 3.185 . 0 0 "[ . 1 . 2]" 1
546 1 46 VAL MG1 1 54 CYS HA . . 3.200 2.486 1.904 3.196 . 0 0 "[ . 1 . 2]" 1
547 1 46 VAL MG1 1 54 CYS QB . . 4.170 3.648 3.040 4.210 0.040 10 0 "[ . 1 . 2]" 1
548 1 46 VAL MG1 1 56 THR HB . . 4.470 4.342 4.028 4.559 0.089 9 0 "[ . 1 . 2]" 1
549 1 46 VAL MG1 1 57 SER H . . 4.680 3.459 3.048 3.722 . 0 0 "[ . 1 . 2]" 1
550 1 46 VAL MG1 1 57 SER HA . . 5.200 4.825 4.413 5.032 . 0 0 "[ . 1 . 2]" 1
551 1 46 VAL MG1 1 57 SER HB2 . . 3.710 2.979 2.126 3.743 0.033 8 0 "[ . 1 . 2]" 1
552 1 46 VAL MG1 1 57 SER QB . . 3.250 2.397 1.913 3.316 0.066 5 0 "[ . 1 . 2]" 1
553 1 46 VAL MG1 1 57 SER HB3 . . 3.710 2.892 1.953 3.749 0.039 15 0 "[ . 1 . 2]" 1
554 1 46 VAL MG1 1 58 GLY H . . 5.310 4.300 3.202 5.029 . 0 0 "[ . 1 . 2]" 1
555 1 46 VAL MG2 1 47 CYS H . . 3.990 3.788 3.605 3.917 . 0 0 "[ . 1 . 2]" 1
556 1 46 VAL MG2 1 49 GLN HE21 . . 4.570 3.065 2.545 3.946 . 0 0 "[ . 1 . 2]" 1
557 1 46 VAL MG2 1 49 GLN QE . . 3.890 2.825 2.405 3.502 . 0 0 "[ . 1 . 2]" 1
558 1 46 VAL MG2 1 49 GLN HE22 . . 4.570 3.462 2.910 4.703 0.133 16 0 "[ . 1 . 2]" 1
559 1 46 VAL MG2 1 49 GLN HG2 . . 5.030 4.903 4.122 5.153 0.123 10 0 "[ . 1 . 2]" 1
560 1 46 VAL MG2 1 49 GLN QG . . 4.290 3.922 3.465 4.138 . 0 0 "[ . 1 . 2]" 1
561 1 46 VAL MG2 1 49 GLN HG3 . . 5.030 4.135 3.715 4.359 . 0 0 "[ . 1 . 2]" 1
562 1 46 VAL MG2 1 57 SER HB2 . . 4.410 4.020 3.107 4.478 0.068 1 0 "[ . 1 . 2]" 1
563 1 46 VAL MG2 1 57 SER QB . . 3.830 3.409 2.920 3.959 0.129 8 0 "[ . 1 . 2]" 1
564 1 46 VAL MG2 1 57 SER HB3 . . 4.410 3.848 2.960 4.520 0.110 8 0 "[ . 1 . 2]" 1
565 1 47 CYS H 1 47 CYS HB2 . . 3.180 2.623 2.492 2.763 . 0 0 "[ . 1 . 2]" 1
566 1 47 CYS H 1 47 CYS HB3 . . 3.200 2.419 2.299 2.573 . 0 0 "[ . 1 . 2]" 1
567 1 47 CYS H 1 48 LYS H . . 3.450 2.393 2.282 2.489 . 0 0 "[ . 1 . 2]" 1
568 1 47 CYS H 1 48 LYS HB2 . . 5.500 4.684 4.367 4.900 . 0 0 "[ . 1 . 2]" 1
569 1 47 CYS H 1 49 GLN QG . . 4.640 4.258 3.937 4.512 . 0 0 "[ . 1 . 2]" 1
570 1 47 CYS H 1 53 GLY H . . 5.500 5.178 4.563 5.595 0.095 6 0 "[ . 1 . 2]" 1
571 1 47 CYS HA 1 49 GLN H . . 4.110 3.573 3.445 3.959 . 0 0 "[ . 1 . 2]" 1
572 1 47 CYS HA 1 52 CYS HA . . 4.310 4.041 3.182 4.362 0.052 17 0 "[ . 1 . 2]" 1
573 1 47 CYS HA 1 52 CYS HB3 . . 5.500 4.882 4.545 5.116 . 0 0 "[ . 1 . 2]" 1
574 1 47 CYS HA 1 53 GLY H . . 3.920 3.568 2.933 3.977 0.057 6 0 "[ . 1 . 2]" 1
575 1 47 CYS HA 1 54 CYS H . . 3.800 3.334 2.872 3.624 . 0 0 "[ . 1 . 2]" 1
576 1 47 CYS HB2 1 48 LYS H . . 4.250 4.103 3.958 4.254 0.004 5 0 "[ . 1 . 2]" 1
577 1 47 CYS HB2 1 49 GLN H . . 5.500 5.445 5.317 5.578 0.078 15 0 "[ . 1 . 2]" 1
578 1 47 CYS HB3 1 48 LYS H . . 3.740 3.024 2.765 3.302 . 0 0 "[ . 1 . 2]" 1
579 1 47 CYS HB3 1 48 LYS QG . . 4.820 3.191 2.894 4.726 . 0 0 "[ . 1 . 2]" 1
580 1 47 CYS HB3 1 49 GLN H . . 5.160 4.917 4.765 5.111 . 0 0 "[ . 1 . 2]" 1
581 1 48 LYS H 1 48 LYS HB2 . . 3.160 2.531 2.303 2.647 . 0 0 "[ . 1 . 2]" 1
582 1 48 LYS H 1 48 LYS HB3 . . 3.700 3.628 3.550 3.681 . 0 0 "[ . 1 . 2]" 1
583 1 48 LYS H 1 48 LYS QD . . 3.940 3.391 1.771 3.984 0.044 1 0 "[ . 1 . 2]" 1
584 1 48 LYS H 1 48 LYS HE2 . . 5.500 4.622 3.882 5.529 0.029 9 0 "[ . 1 . 2]" 1
585 1 48 LYS H 1 48 LYS HE3 . . 5.500 5.166 4.213 5.731 0.231 6 0 "[ . 1 . 2]" 1
586 1 48 LYS H 1 48 LYS HG2 . . 3.660 3.023 2.216 3.957 0.297 18 0 "[ . 1 . 2]" 1
587 1 48 LYS H 1 48 LYS HG3 . . 3.660 3.033 2.115 3.757 0.097 5 0 "[ . 1 . 2]" 1
588 1 48 LYS H 1 49 GLN QG . . 4.340 3.618 3.366 3.976 . 0 0 "[ . 1 . 2]" 1
589 1 48 LYS HA 1 48 LYS QD . . 4.820 3.098 1.947 4.060 . 0 0 "[ . 1 . 2]" 1
590 1 48 LYS HA 1 48 LYS HG2 . . 4.050 2.983 2.508 3.662 . 0 0 "[ . 1 . 2]" 1
591 1 48 LYS HA 1 48 LYS QG . . 3.300 2.712 2.350 3.096 . 0 0 "[ . 1 . 2]" 1
592 1 48 LYS HA 1 48 LYS HG3 . . 4.050 3.315 2.406 3.876 . 0 0 "[ . 1 . 2]" 1
593 1 48 LYS HA 1 49 GLN HA . . 5.500 4.751 4.622 4.943 . 0 0 "[ . 1 . 2]" 1
594 1 48 LYS HB2 1 49 GLN H . . 4.400 3.679 3.275 4.025 . 0 0 "[ . 1 . 2]" 1
595 1 48 LYS HB3 1 48 LYS HE2 . . 5.500 4.675 4.215 5.425 . 0 0 "[ . 1 . 2]" 1
596 1 48 LYS HB3 1 48 LYS QE . . 4.820 4.125 3.913 4.456 . 0 0 "[ . 1 . 2]" 1
597 1 48 LYS HB3 1 48 LYS HE3 . . 5.500 4.631 4.332 4.843 . 0 0 "[ . 1 . 2]" 1
598 1 48 LYS HB3 1 49 GLN H . . 4.560 4.366 3.986 4.519 . 0 0 "[ . 1 . 2]" 1
599 1 48 LYS QD 1 49 GLN H . . 5.340 4.932 4.073 5.491 0.151 17 0 "[ . 1 . 2]" 1
600 1 48 LYS QE 1 48 LYS QG . . 3.160 2.232 2.076 2.440 . 0 0 "[ . 1 . 2]" 1
601 1 48 LYS HE2 1 48 LYS HG2 . . 4.150 2.863 2.274 4.012 . 0 0 "[ . 1 . 2]" 1
602 1 48 LYS HE2 1 48 LYS HG3 . . 4.150 3.007 2.427 3.676 . 0 0 "[ . 1 . 2]" 1
603 1 48 LYS HE3 1 48 LYS HG2 . . 4.150 3.196 2.543 3.699 . 0 0 "[ . 1 . 2]" 1
604 1 48 LYS HE3 1 48 LYS HG3 . . 4.150 3.030 2.210 3.775 . 0 0 "[ . 1 . 2]" 1
605 1 48 LYS QG 1 49 GLN QG . . 5.180 5.268 5.112 5.408 0.228 6 0 "[ . 1 . 2]" 1
606 1 49 GLN H 1 49 GLN HB2 . . 2.970 2.420 2.282 2.575 . 0 0 "[ . 1 . 2]" 1
607 1 49 GLN H 1 49 GLN HG2 . . 3.650 3.467 2.266 3.763 0.113 7 0 "[ . 1 . 2]" 1
608 1 49 GLN H 1 49 GLN QG . . 2.920 2.404 2.033 2.633 . 0 0 "[ . 1 . 2]" 1
609 1 49 GLN H 1 49 GLN HG3 . . 3.650 2.567 2.051 3.654 0.004 20 0 "[ . 1 . 2]" 1
610 1 49 GLN H 1 50 THR H . . 4.650 4.416 2.948 4.616 . 0 0 "[ . 1 . 2]" 1
611 1 49 GLN H 1 52 CYS HA . . 4.330 3.314 2.846 3.846 . 0 0 "[ . 1 . 2]" 1
612 1 49 GLN H 1 53 GLY H . . 4.400 3.743 3.049 4.408 0.008 18 0 "[ . 1 . 2]" 1
613 1 49 GLN HA 1 49 GLN QE . . 5.070 4.641 3.674 4.868 . 0 0 "[ . 1 . 2]" 1
614 1 49 GLN HA 1 49 GLN HG2 . . 3.640 2.546 2.259 2.892 . 0 0 "[ . 1 . 2]" 1
615 1 49 GLN HA 1 49 GLN QG . . 3.140 2.436 2.197 2.805 . 0 0 "[ . 1 . 2]" 1
616 1 49 GLN HA 1 49 GLN HG3 . . 3.640 3.120 2.886 3.773 0.133 16 0 "[ . 1 . 2]" 1
617 1 49 GLN HA 1 50 THR H . . 3.220 2.515 2.305 3.480 0.260 15 0 "[ . 1 . 2]" 1
618 1 49 GLN HA 1 50 THR HA . . 5.500 4.574 4.441 5.286 . 0 0 "[ . 1 . 2]" 1
619 1 49 GLN HB2 1 50 THR HA . . 5.500 4.526 4.309 4.696 . 0 0 "[ . 1 . 2]" 1
620 1 49 GLN HB2 1 52 CYS HA . . 3.830 2.242 1.990 3.251 . 0 0 "[ . 1 . 2]" 1
621 1 49 GLN HB2 1 52 CYS HB2 . . 5.500 4.601 4.134 5.630 0.130 15 0 "[ . 1 . 2]" 1
622 1 49 GLN HB2 1 53 GLY H . . 3.440 2.376 1.855 3.126 . 0 0 "[ . 1 . 2]" 1
623 1 49 GLN HB2 1 54 CYS H . . 5.170 4.606 4.082 5.331 0.161 15 0 "[ . 1 . 2]" 1
624 1 49 GLN HB3 1 53 GLY H . . 4.810 3.850 3.223 4.708 . 0 0 "[ . 1 . 2]" 1
625 1 49 GLN QG 1 50 THR H . . 4.240 3.811 3.488 4.278 0.038 16 0 "[ . 1 . 2]" 1
626 1 49 GLN HG2 1 50 THR H . . 4.860 4.074 3.612 4.898 0.038 15 0 "[ . 1 . 2]" 1
627 1 49 GLN HG3 1 50 THR H . . 4.860 4.722 4.214 4.932 0.072 18 0 "[ . 1 . 2]" 1
628 1 50 THR H 1 50 THR HB . . 3.120 2.974 2.804 3.552 0.432 13 0 "[ . 1 . 2]" 1
629 1 50 THR H 1 50 THR MG . . 4.540 3.949 3.914 4.006 . 0 0 "[ . 1 . 2]" 1
630 1 50 THR H 1 51 PRO HA . . 4.530 4.411 3.658 4.632 0.102 18 0 "[ . 1 . 2]" 1
631 1 50 THR H 1 51 PRO HD2 . . 4.820 4.621 4.418 5.082 0.262 15 0 "[ . 1 . 2]" 1
632 1 50 THR HA 1 50 THR MG . . 3.430 2.362 2.329 2.391 . 0 0 "[ . 1 . 2]" 1
633 1 50 THR HA 1 51 PRO HA . . 2.600 1.993 1.921 2.073 . 0 0 "[ . 1 . 2]" 1
634 1 50 THR HA 1 51 PRO HB2 . . 5.240 4.403 4.266 4.464 . 0 0 "[ . 1 . 2]" 1
635 1 50 THR HA 1 51 PRO HB3 . . 4.990 4.205 4.118 4.277 . 0 0 "[ . 1 . 2]" 1
636 1 50 THR HA 1 52 CYS H . . 3.650 3.122 2.810 3.473 . 0 0 "[ . 1 . 2]" 1
637 1 50 THR HA 1 52 CYS HA . . 4.490 3.842 3.559 4.316 . 0 0 "[ . 1 . 2]" 1
638 1 50 THR MG 1 51 PRO HA . . 3.900 2.844 2.272 3.093 . 0 0 "[ . 1 . 2]" 1
639 1 50 THR MG 1 51 PRO HB2 . . 5.210 5.039 4.530 5.236 0.026 13 0 "[ . 1 . 2]" 1
640 1 50 THR MG 1 51 PRO HB3 . . 4.260 4.183 3.671 4.345 0.085 13 0 "[ . 1 . 2]" 1
641 1 50 THR MG 1 51 PRO HD2 . . 4.370 4.434 4.353 4.556 0.186 8 0 "[ . 1 . 2]" 1
642 1 50 THR MG 1 51 PRO HD3 . . 4.230 3.626 3.498 3.731 . 0 0 "[ . 1 . 2]" 1
643 1 50 THR MG 1 51 PRO QG . . 5.350 4.540 3.789 4.825 . 0 0 "[ . 1 . 2]" 1
644 1 50 THR MG 1 52 CYS H . . 5.010 4.408 3.718 4.917 . 0 0 "[ . 1 . 2]" 1
645 1 51 PRO HA 1 52 CYS H . . 3.070 2.301 2.204 2.392 . 0 0 "[ . 1 . 2]" 1
646 1 51 PRO HA 1 52 CYS HA . . 4.850 4.295 4.228 4.339 . 0 0 "[ . 1 . 2]" 1
647 1 51 PRO HB2 1 52 CYS H . . 3.260 2.932 2.649 3.270 0.010 17 0 "[ . 1 . 2]" 1
648 1 51 PRO HB2 1 52 CYS HB2 . . 5.500 5.251 4.903 5.565 0.065 6 0 "[ . 1 . 2]" 1
649 1 51 PRO HB3 1 52 CYS H . . 3.650 3.510 3.120 3.711 0.061 3 0 "[ . 1 . 2]" 1
650 1 52 CYS H 1 52 CYS HB2 . . 2.950 2.470 2.288 2.582 . 0 0 "[ . 1 . 2]" 1
651 1 52 CYS H 1 52 CYS HB3 . . 3.030 2.559 2.431 2.703 . 0 0 "[ . 1 . 2]" 1
652 1 52 CYS H 1 53 GLY HA2 . . 5.500 5.460 5.357 5.527 0.027 8 0 "[ . 1 . 2]" 1
653 1 52 CYS H 1 69 SER QB . . 3.880 3.621 3.101 3.945 0.065 12 0 "[ . 1 . 2]" 1
654 1 52 CYS HA 1 53 GLY H . . 2.860 2.213 2.141 2.290 . 0 0 "[ . 1 . 2]" 1
655 1 52 CYS HA 1 53 GLY HA3 . . 4.360 4.317 4.277 4.346 . 0 0 "[ . 1 . 2]" 1
656 1 52 CYS HA 1 54 CYS H . . 4.130 3.839 3.575 4.021 . 0 0 "[ . 1 . 2]" 1
657 1 52 CYS HB2 1 53 GLY H . . 4.570 4.082 3.950 4.252 . 0 0 "[ . 1 . 2]" 1
658 1 52 CYS HB2 1 69 SER H . . 5.300 5.138 4.652 5.404 0.104 6 0 "[ . 1 . 2]" 1
659 1 52 CYS HB2 1 69 SER QB . . 3.090 2.767 2.318 3.080 . 0 0 "[ . 1 . 2]" 1
660 1 52 CYS HB2 1 70 CYS H . . 5.410 5.301 4.792 5.495 0.085 7 0 "[ . 1 . 2]" 1
661 1 52 CYS HB3 1 53 GLY H . . 4.200 3.943 3.658 4.112 . 0 0 "[ . 1 . 2]" 1
662 1 52 CYS HB3 1 53 GLY HA2 . . 4.710 4.754 4.611 4.870 0.160 8 0 "[ . 1 . 2]" 1
663 1 52 CYS HB3 1 69 SER QB . . 3.540 2.147 1.893 2.536 . 0 0 "[ . 1 . 2]" 1
664 1 53 GLY H 1 54 CYS H . . 3.170 2.318 2.202 2.522 . 0 0 "[ . 1 . 2]" 1
665 1 53 GLY H 1 54 CYS QB . . 4.810 4.090 3.699 4.389 . 0 0 "[ . 1 . 2]" 1
666 1 53 GLY H 1 56 THR H . . 5.500 5.309 5.072 5.551 0.051 10 0 "[ . 1 . 2]" 1
667 1 53 GLY H 1 69 SER QB . . 5.500 5.399 5.031 5.635 0.135 8 0 "[ . 1 . 2]" 1
668 1 53 GLY HA2 1 56 THR H . . 4.320 3.319 3.058 3.610 . 0 0 "[ . 1 . 2]" 1
669 1 53 GLY HA2 1 57 SER H . . 5.060 4.210 3.602 4.717 . 0 0 "[ . 1 . 2]" 1
670 1 53 GLY HA3 1 56 THR H . . 4.650 4.204 4.040 4.411 . 0 0 "[ . 1 . 2]" 1
671 1 53 GLY HA3 1 56 THR HB . . 4.100 3.442 2.998 4.105 0.005 9 0 "[ . 1 . 2]" 1
672 1 53 GLY HA3 1 56 THR MG . . 5.470 4.618 4.177 5.346 . 0 0 "[ . 1 . 2]" 1
673 1 54 CYS H 1 54 CYS QB . . 3.030 2.261 2.144 2.341 . 0 0 "[ . 1 . 2]" 1
674 1 54 CYS H 1 55 ALA H . . 3.630 2.685 2.580 2.775 . 0 0 "[ . 1 . 2]" 1
675 1 54 CYS H 1 55 ALA HA . . 5.500 5.287 5.191 5.353 . 0 0 "[ . 1 . 2]" 1
676 1 54 CYS H 1 55 ALA MB . . 4.400 4.373 4.240 4.458 0.058 3 0 "[ . 1 . 2]" 1
677 1 54 CYS H 1 56 THR H . . 4.750 3.938 3.679 4.157 . 0 0 "[ . 1 . 2]" 1
678 1 54 CYS H 1 69 SER QB . . 5.500 4.804 4.295 5.343 . 0 0 "[ . 1 . 2]" 1
679 1 54 CYS H 1 70 CYS QB . . 4.040 3.752 3.401 4.130 0.090 10 0 "[ . 1 . 2]" 1
680 1 54 CYS HA 1 56 THR H . . 4.920 3.741 3.386 4.268 . 0 0 "[ . 1 . 2]" 1
681 1 54 CYS HA 1 57 SER H . . 4.580 3.497 3.263 3.682 . 0 0 "[ . 1 . 2]" 1
682 1 54 CYS HA 1 58 GLY H . . 4.500 3.555 2.557 4.564 0.064 6 0 "[ . 1 . 2]" 1
683 1 54 CYS HA 1 70 CYS QB . . 4.970 4.412 4.099 4.729 . 0 0 "[ . 1 . 2]" 1
684 1 54 CYS QB 1 55 ALA H . . 4.210 2.695 2.308 3.210 . 0 0 "[ . 1 . 2]" 1
685 1 54 CYS QB 1 55 ALA MB . . 4.340 3.767 3.580 3.986 . 0 0 "[ . 1 . 2]" 1
686 1 54 CYS QB 1 57 SER H . . 5.100 5.117 4.847 5.299 0.199 8 0 "[ . 1 . 2]" 1
687 1 54 CYS QB 1 70 CYS H . . 5.500 4.441 4.076 4.914 . 0 0 "[ . 1 . 2]" 1
688 1 54 CYS QB 1 70 CYS HA . . 4.130 4.055 3.551 4.387 0.257 17 0 "[ . 1 . 2]" 1
689 1 54 CYS QB 1 70 CYS HB2 . . 3.440 2.721 2.358 3.240 . 0 0 "[ . 1 . 2]" 1
690 1 54 CYS QB 1 70 CYS HB3 . . 3.440 2.031 1.779 2.291 . 0 0 "[ . 1 . 2]" 1
691 1 55 ALA H 1 55 ALA MB . . 2.920 2.263 2.235 2.363 . 0 0 "[ . 1 . 2]" 1
692 1 55 ALA H 1 56 THR H . . 3.530 2.509 2.224 2.663 . 0 0 "[ . 1 . 2]" 1
693 1 55 ALA H 1 56 THR HA . . 5.500 5.068 4.749 5.237 . 0 0 "[ . 1 . 2]" 1
694 1 55 ALA H 1 56 THR HB . . 5.500 4.717 4.160 4.965 . 0 0 "[ . 1 . 2]" 1
695 1 55 ALA HA 1 58 GLY H . . 4.450 4.106 3.131 4.596 0.146 18 0 "[ . 1 . 2]" 1
696 1 55 ALA MB 1 56 THR H . . 3.260 3.106 2.667 3.433 0.173 8 0 "[ . 1 . 2]" 1
697 1 55 ALA MB 1 56 THR HA . . 4.510 4.038 3.866 4.226 . 0 0 "[ . 1 . 2]" 1
698 1 56 THR H 1 56 THR HB . . 3.460 2.633 2.499 2.835 . 0 0 "[ . 1 . 2]" 1
699 1 56 THR H 1 56 THR MG . . 3.970 3.813 3.712 3.943 . 0 0 "[ . 1 . 2]" 1
700 1 56 THR H 1 58 GLY H . . 4.510 3.465 2.853 4.588 0.078 4 0 "[ . 1 . 2]" 1
701 1 56 THR HA 1 56 THR MG . . 3.050 2.336 2.280 2.404 . 0 0 "[ . 1 . 2]" 1
702 1 56 THR HA 1 57 SER HA . . 5.090 4.611 4.524 4.698 . 0 0 "[ . 1 . 2]" 1
703 1 56 THR HA 1 58 GLY H . . 5.360 4.497 3.776 5.228 . 0 0 "[ . 1 . 2]" 1
704 1 56 THR HB 1 57 SER H . . 4.060 2.500 2.188 2.875 . 0 0 "[ . 1 . 2]" 1
705 1 56 THR HB 1 57 SER HA . . 5.500 4.338 4.184 4.619 . 0 0 "[ . 1 . 2]" 1
706 1 56 THR HB 1 58 GLY H . . 5.500 4.710 4.344 5.543 0.043 4 0 "[ . 1 . 2]" 1
707 1 56 THR MG 1 57 SER H . . 4.420 3.526 3.208 3.863 . 0 0 "[ . 1 . 2]" 1
708 1 56 THR MG 1 57 SER QB . . 4.110 3.962 3.229 4.306 0.196 13 0 "[ . 1 . 2]" 1
709 1 57 SER H 1 57 SER HB2 . . 4.140 2.887 2.498 3.669 . 0 0 "[ . 1 . 2]" 1
710 1 57 SER H 1 57 SER QB . . 3.550 2.496 2.270 2.928 . 0 0 "[ . 1 . 2]" 1
711 1 57 SER H 1 57 SER HB3 . . 4.140 2.966 2.432 3.736 . 0 0 "[ . 1 . 2]" 1
712 1 58 GLY H 1 59 CYS H . . 4.490 3.875 3.156 4.448 . 0 0 "[ . 1 . 2]" 1
713 1 58 GLY QA 1 59 CYS H . . 3.040 2.179 2.092 2.299 . 0 0 "[ . 1 . 2]" 1
714 1 59 CYS HA 1 60 ASN H . . 3.190 2.245 2.120 2.632 . 0 0 "[ . 1 . 2]" 1
715 1 59 CYS HA 1 61 CYS H . . 4.640 3.916 2.948 4.218 . 0 0 "[ . 1 . 2]" 1
716 1 60 ASN H 1 60 ASN HB2 . . 4.050 2.790 2.470 3.410 . 0 0 "[ . 1 . 2]" 1
717 1 60 ASN H 1 60 ASN QB . . 3.370 2.428 2.296 2.695 . 0 0 "[ . 1 . 2]" 1
718 1 60 ASN H 1 60 ASN HB3 . . 4.050 2.876 2.466 3.760 . 0 0 "[ . 1 . 2]" 1
719 1 60 ASN H 1 60 ASN QD . . 5.270 4.429 3.552 4.939 . 0 0 "[ . 1 . 2]" 1
720 1 60 ASN H 1 61 CYS H . . 3.280 2.147 1.895 2.343 . 0 0 "[ . 1 . 2]" 1
721 1 60 ASN QB 1 61 CYS H . . 3.800 2.837 2.515 3.710 . 0 0 "[ . 1 . 2]" 1
722 1 60 ASN QB 1 61 CYS HB3 . . 4.640 4.185 3.779 4.476 . 0 0 "[ . 1 . 2]" 1
723 1 60 ASN HB2 1 61 CYS H . . 4.460 3.740 2.577 4.450 . 0 0 "[ . 1 . 2]" 1
724 1 60 ASN HB3 1 61 CYS H . . 4.460 3.135 2.595 4.115 . 0 0 "[ . 1 . 2]" 1
725 1 61 CYS H 1 61 CYS HB2 . . 3.820 3.571 3.487 3.740 . 0 0 "[ . 1 . 2]" 1
726 1 61 CYS H 1 61 CYS HB3 . . 3.270 2.908 2.739 3.093 . 0 0 "[ . 1 . 2]" 1
727 1 61 CYS HA 1 62 THR H . . 3.260 2.727 2.453 3.314 0.054 8 0 "[ . 1 . 2]" 1
728 1 61 CYS HA 1 62 THR HA . . 4.560 4.403 4.282 4.582 0.022 8 0 "[ . 1 . 2]" 1
729 1 61 CYS HB2 1 62 THR H . . 3.410 1.954 1.734 2.403 . 0 0 "[ . 1 . 2]" 1
730 1 61 CYS HB2 1 62 THR MG . . 5.500 4.410 3.966 5.484 . 0 0 "[ . 1 . 2]" 1
731 1 61 CYS HB3 1 62 THR H . . 3.990 3.404 3.280 3.627 . 0 0 "[ . 1 . 2]" 1
732 1 62 THR H 1 62 THR MG . . 3.390 2.965 2.587 3.640 0.250 2 0 "[ . 1 . 2]" 1
733 1 62 THR H 1 65 CYS H . . 4.510 4.067 3.501 4.594 0.084 9 0 "[ . 1 . 2]" 1
734 1 62 THR H 1 65 CYS HB2 . . 4.260 3.443 2.690 4.065 . 0 0 "[ . 1 . 2]" 1
735 1 62 THR HA 1 62 THR MG . . 3.060 2.273 2.149 2.366 . 0 0 "[ . 1 . 2]" 1
736 1 62 THR HA 1 63 ASP H . . 3.220 2.519 2.266 2.727 . 0 0 "[ . 1 . 2]" 1
737 1 62 THR HA 1 65 CYS HB2 . . 5.450 5.365 4.722 5.661 0.211 5 0 "[ . 1 . 2]" 1
738 1 62 THR HB 1 63 ASP H . . 2.800 2.193 1.864 2.879 0.079 2 0 "[ . 1 . 2]" 1
739 1 62 THR HB 1 63 ASP QB . . 4.440 3.942 3.490 4.586 0.146 2 0 "[ . 1 . 2]" 1
740 1 62 THR HB 1 64 ASP H . . 3.350 2.562 2.235 2.862 . 0 0 "[ . 1 . 2]" 1
741 1 62 THR HB 1 64 ASP QB . . 3.520 3.420 2.887 3.695 0.175 15 0 "[ . 1 . 2]" 1
742 1 62 THR MG 1 63 ASP H . . 3.630 3.310 1.792 3.631 0.001 3 0 "[ . 1 . 2]" 1
743 1 62 THR MG 1 64 ASP H . . 4.150 4.028 3.218 4.169 0.019 14 0 "[ . 1 . 2]" 1
744 1 62 THR MG 1 64 ASP QB . . 4.550 4.099 3.732 4.653 0.103 14 0 "[ . 1 . 2]" 1
745 1 63 ASP H 1 63 ASP QB . . 3.430 2.331 2.115 2.478 . 0 0 "[ . 1 . 2]" 1
746 1 63 ASP H 1 64 ASP H . . 3.450 2.604 2.373 2.748 . 0 0 "[ . 1 . 2]" 1
747 1 63 ASP HA 1 64 ASP QB . . 5.340 5.058 4.918 5.335 . 0 0 "[ . 1 . 2]" 1
748 1 63 ASP HA 1 65 CYS H . . 4.140 3.372 3.155 3.692 . 0 0 "[ . 1 . 2]" 1
749 1 63 ASP HA 1 65 CYS HB3 . . 4.890 4.379 4.073 4.835 . 0 0 "[ . 1 . 2]" 1
750 1 63 ASP HA 1 71 SER QB . . 4.220 2.787 2.302 3.695 . 0 0 "[ . 1 . 2]" 1
751 1 63 ASP HA 1 97 ARG QB . . 4.250 3.972 3.778 4.260 0.010 9 0 "[ . 1 . 2]" 1
752 1 63 ASP HA 1 97 ARG QD . . 4.860 4.765 4.143 5.044 0.184 17 0 "[ . 1 . 2]" 1
753 1 63 ASP QB 1 64 ASP H . . 4.000 3.297 2.587 3.489 . 0 0 "[ . 1 . 2]" 1
754 1 63 ASP QB 1 71 SER QB . . 4.620 3.616 2.715 4.748 0.128 9 0 "[ . 1 . 2]" 1
755 1 63 ASP QB 1 97 ARG QB . . 4.190 1.901 1.694 2.322 . 0 0 "[ . 1 . 2]" 1
756 1 64 ASP H 1 64 ASP HB2 . . 4.070 2.760 2.071 3.683 . 0 0 "[ . 1 . 2]" 1
757 1 64 ASP H 1 64 ASP QB . . 3.260 2.289 2.051 2.668 . 0 0 "[ . 1 . 2]" 1
758 1 64 ASP H 1 64 ASP HB3 . . 4.070 2.564 2.352 3.307 . 0 0 "[ . 1 . 2]" 1
759 1 64 ASP H 1 65 CYS HB2 . . 4.920 4.369 4.129 4.697 . 0 0 "[ . 1 . 2]" 1
760 1 64 ASP H 1 65 CYS HB3 . . 5.430 4.965 4.659 5.436 0.006 9 0 "[ . 1 . 2]" 1
761 1 64 ASP H 1 97 ARG HA . . 5.500 5.566 5.176 5.810 0.310 7 0 "[ . 1 . 2]" 1
762 1 64 ASP H 1 97 ARG HD2 . . 4.400 3.988 2.635 4.443 0.043 12 0 "[ . 1 . 2]" 1
763 1 64 ASP H 1 97 ARG QD . . 3.850 2.618 2.209 2.993 . 0 0 "[ . 1 . 2]" 1
764 1 64 ASP H 1 97 ARG HD3 . . 4.400 2.787 2.220 3.966 . 0 0 "[ . 1 . 2]" 1
765 1 64 ASP HA 1 96 ASP HA . . 4.320 3.553 2.702 4.387 0.067 17 0 "[ . 1 . 2]" 1
766 1 64 ASP HA 1 96 ASP HB2 . . 4.140 3.039 1.825 4.226 0.086 7 0 "[ . 1 . 2]" 1
767 1 64 ASP HA 1 96 ASP QB . . 3.270 2.335 1.816 3.372 0.102 3 0 "[ . 1 . 2]" 1
768 1 64 ASP HA 1 96 ASP HB3 . . 4.140 3.057 2.010 4.240 0.100 3 0 "[ . 1 . 2]" 1
769 1 64 ASP HA 1 97 ARG H . . 4.250 2.496 2.010 3.362 . 0 0 "[ . 1 . 2]" 1
770 1 64 ASP QB 1 65 CYS H . . 4.150 3.273 2.834 3.886 . 0 0 "[ . 1 . 2]" 1
771 1 64 ASP QB 1 97 ARG H . . 4.280 3.744 2.429 4.394 0.114 13 0 "[ . 1 . 2]" 1
772 1 64 ASP HB2 1 65 CYS H . . 4.730 4.162 3.361 4.492 . 0 0 "[ . 1 . 2]" 1
773 1 64 ASP HB3 1 65 CYS H . . 4.730 3.464 2.908 4.337 . 0 0 "[ . 1 . 2]" 1
774 1 65 CYS H 1 65 CYS HB2 . . 3.330 2.377 2.261 2.579 . 0 0 "[ . 1 . 2]" 1
775 1 65 CYS H 1 65 CYS HB3 . . 3.310 2.696 2.533 2.796 . 0 0 "[ . 1 . 2]" 1
776 1 65 CYS H 1 71 SER QB . . 5.340 4.585 3.581 5.380 0.040 19 0 "[ . 1 . 2]" 1
777 1 65 CYS H 1 97 ARG QB . . 4.910 4.850 4.532 5.043 0.133 18 0 "[ . 1 . 2]" 1
778 1 65 CYS HA 1 66 LYS H . . 3.120 2.299 2.190 2.537 . 0 0 "[ . 1 . 2]" 1
779 1 65 CYS HA 1 66 LYS QG . . 4.520 4.108 3.422 4.870 0.350 12 0 "[ . 1 . 2]" 1
780 1 65 CYS HA 1 67 CYS H . . 4.130 3.885 3.599 4.188 0.058 13 0 "[ . 1 . 2]" 1
781 1 65 CYS HB2 1 66 LYS H . . 4.490 4.135 3.796 4.364 . 0 0 "[ . 1 . 2]" 1
782 1 65 CYS HB3 1 66 LYS H . . 4.570 3.689 3.210 3.937 . 0 0 "[ . 1 . 2]" 1
783 1 65 CYS HB3 1 67 CYS H . . 4.650 2.795 2.614 3.029 . 0 0 "[ . 1 . 2]" 1
784 1 65 CYS HB3 1 67 CYS HA . . 5.280 5.296 5.091 5.412 0.132 13 0 "[ . 1 . 2]" 1
785 1 66 LYS H 1 66 LYS HB2 . . 4.090 2.635 2.175 3.639 . 0 0 "[ . 1 . 2]" 1
786 1 66 LYS H 1 66 LYS QB . . 3.490 2.384 2.140 2.577 . 0 0 "[ . 1 . 2]" 1
787 1 66 LYS H 1 66 LYS HB3 . . 4.090 3.368 2.433 3.666 . 0 0 "[ . 1 . 2]" 1
788 1 66 LYS H 1 66 LYS QD . . 4.510 3.850 1.862 4.492 . 0 0 "[ . 1 . 2]" 1
789 1 66 LYS H 1 66 LYS HG2 . . 4.290 3.445 1.994 4.413 0.123 12 0 "[ . 1 . 2]" 1
790 1 66 LYS H 1 66 LYS QG . . 3.750 2.670 1.927 3.597 . 0 0 "[ . 1 . 2]" 1
791 1 66 LYS H 1 66 LYS HG3 . . 4.290 3.038 1.942 4.043 . 0 0 "[ . 1 . 2]" 1
792 1 66 LYS H 1 67 CYS H . . 3.330 2.701 2.347 3.266 . 0 0 "[ . 1 . 2]" 1
793 1 66 LYS H 1 67 CYS HB2 . . 5.100 4.458 3.935 4.968 . 0 0 "[ . 1 . 2]" 1
794 1 66 LYS HA 1 66 LYS QD . . 4.100 3.669 2.178 4.328 0.228 16 0 "[ . 1 . 2]" 1
795 1 66 LYS HA 1 66 LYS HG2 . . 3.990 2.989 2.250 4.188 0.198 3 0 "[ . 1 . 2]" 1
796 1 66 LYS HA 1 66 LYS QG . . 3.450 2.621 2.144 3.422 . 0 0 "[ . 1 . 2]" 1
797 1 66 LYS HA 1 66 LYS HG3 . . 3.990 3.146 2.392 3.850 . 0 0 "[ . 1 . 2]" 1
798 1 66 LYS QB 1 66 LYS QE . . 3.840 2.912 1.827 3.742 . 0 0 "[ . 1 . 2]" 1
799 1 66 LYS QB 1 67 CYS H . . 4.370 3.549 3.274 3.886 . 0 0 "[ . 1 . 2]" 1
800 1 66 LYS QE 1 66 LYS QG . . 3.080 2.361 2.112 2.806 . 0 0 "[ . 1 . 2]" 1
801 1 67 CYS H 1 67 CYS HB2 . . 3.360 2.628 2.411 2.915 . 0 0 "[ . 1 . 2]" 1
802 1 67 CYS H 1 67 CYS HB3 . . 3.260 2.649 2.449 3.001 . 0 0 "[ . 1 . 2]" 1
803 1 67 CYS HA 1 68 GLN H . . 3.130 2.150 2.078 2.294 . 0 0 "[ . 1 . 2]" 1
804 1 67 CYS HA 1 68 GLN HA . . 4.470 4.377 4.313 4.438 . 0 0 "[ . 1 . 2]" 1
805 1 67 CYS HA 1 68 GLN QB . . 4.660 4.410 4.256 4.621 . 0 0 "[ . 1 . 2]" 1
806 1 67 CYS HA 1 68 GLN QG . . 4.230 3.848 3.270 4.404 0.174 4 0 "[ . 1 . 2]" 1
807 1 67 CYS HA 1 69 SER H . . 3.990 3.527 3.113 4.084 0.094 8 0 "[ . 1 . 2]" 1
808 1 67 CYS HA 1 70 CYS H . . 5.500 5.199 4.598 5.547 0.047 18 0 "[ . 1 . 2]" 1
809 1 67 CYS HB3 1 69 SER H . . 4.700 3.612 3.421 3.776 . 0 0 "[ . 1 . 2]" 1
810 1 67 CYS HB3 1 70 CYS H . . 4.030 3.624 3.033 4.014 . 0 0 "[ . 1 . 2]" 1
811 1 67 CYS HB3 1 71 SER H . . 5.020 4.330 3.009 5.027 0.007 18 0 "[ . 1 . 2]" 1
812 1 68 GLN H 1 68 GLN QB . . 3.440 2.516 2.369 2.944 . 0 0 "[ . 1 . 2]" 1
813 1 68 GLN H 1 68 GLN QG . . 3.430 2.546 1.919 3.267 . 0 0 "[ . 1 . 2]" 1
814 1 68 GLN HA 1 68 GLN QE . . 5.090 4.406 3.516 4.947 . 0 0 "[ . 1 . 2]" 1
815 1 68 GLN HA 1 68 GLN QG . . 3.650 2.699 2.440 3.468 . 0 0 "[ . 1 . 2]" 1
816 1 68 GLN HA 1 70 CYS H . . 4.520 4.221 3.634 4.670 0.150 19 0 "[ . 1 . 2]" 1
817 1 68 GLN HA 1 71 SER H . . 4.030 3.415 2.844 4.042 0.012 17 0 "[ . 1 . 2]" 1
818 1 68 GLN HA 1 71 SER QB . . 3.780 2.898 1.957 3.648 . 0 0 "[ . 1 . 2]" 1
819 1 68 GLN QB 1 69 SER H . . 4.040 3.554 3.319 3.971 . 0 0 "[ . 1 . 2]" 1
820 1 68 GLN QG 1 69 SER H . . 5.350 4.391 3.348 4.787 . 0 0 "[ . 1 . 2]" 1
821 1 68 GLN QG 1 94 LYS HA . . 5.500 4.754 3.038 5.629 0.129 17 0 "[ . 1 . 2]" 1
822 1 69 SER H 1 69 SER QB . . 3.000 2.489 2.327 2.638 . 0 0 "[ . 1 . 2]" 1
823 1 69 SER H 1 70 CYS H . . 3.060 2.467 1.926 2.645 . 0 0 "[ . 1 . 2]" 1
824 1 69 SER H 1 71 SER H . . 4.290 3.541 2.628 3.853 . 0 0 "[ . 1 . 2]" 1
825 1 69 SER QB 1 70 CYS H . . 3.200 2.565 2.256 3.016 . 0 0 "[ . 1 . 2]" 1
826 1 70 CYS H 1 70 CYS QB . . 3.520 2.916 2.766 3.088 . 0 0 "[ . 1 . 2]" 1
827 1 70 CYS H 1 71 SER QB . . 4.730 4.227 3.653 4.431 . 0 0 "[ . 1 . 2]" 1
828 1 70 CYS QB 1 71 SER H . . 4.400 3.654 3.271 3.958 . 0 0 "[ . 1 . 2]" 1
829 1 71 SER H 1 71 SER HB2 . . 3.770 2.909 2.484 3.588 . 0 0 "[ . 1 . 2]" 1
830 1 71 SER H 1 71 SER QB . . 3.250 2.522 2.239 2.845 . 0 0 "[ . 1 . 2]" 1
831 1 71 SER H 1 71 SER HB3 . . 3.770 3.118 2.545 3.691 . 0 0 "[ . 1 . 2]" 1
832 1 71 SER H 1 72 THR H . . 4.620 4.574 4.492 4.643 0.023 17 0 "[ . 1 . 2]" 1
833 1 71 SER HA 1 72 THR H . . 3.110 2.396 2.225 2.608 . 0 0 "[ . 1 . 2]" 1
834 1 71 SER HA 1 72 THR HA . . 4.390 4.294 4.241 4.333 . 0 0 "[ . 1 . 2]" 1
835 1 71 SER QB 1 72 THR H . . 3.240 2.594 2.167 3.307 0.067 9 0 "[ . 1 . 2]" 1
836 1 71 SER QB 1 72 THR MG . . 4.610 4.357 3.700 4.814 0.204 10 0 "[ . 1 . 2]" 1
837 1 71 SER HB2 1 72 THR H . . 3.930 3.222 2.186 3.903 . 0 0 "[ . 1 . 2]" 1
838 1 71 SER HB3 1 72 THR H . . 3.930 3.119 2.272 3.712 . 0 0 "[ . 1 . 2]" 1
839 1 72 THR H 1 72 THR HB . . 3.580 3.405 2.621 3.627 0.047 4 0 "[ . 1 . 2]" 1
840 1 72 THR H 1 72 THR MG . . 3.220 2.400 1.835 2.860 . 0 0 "[ . 1 . 2]" 1
841 1 72 THR H 1 73 ALA H . . 4.650 4.546 4.413 4.593 . 0 0 "[ . 1 . 2]" 1
842 1 72 THR HA 1 72 THR MG . . 3.440 2.463 2.217 3.206 . 0 0 "[ . 1 . 2]" 1
843 1 72 THR HA 1 73 ALA H . . 2.690 2.210 2.091 2.684 . 0 0 "[ . 1 . 2]" 1
844 1 72 THR HA 1 73 ALA MB . . 3.980 3.938 3.864 3.986 0.006 1 0 "[ . 1 . 2]" 1
845 1 72 THR HB 1 73 ALA H . . 3.920 3.180 2.502 4.093 0.173 18 0 "[ . 1 . 2]" 1
846 1 72 THR HB 1 102 LYS HB3 . . 4.420 3.782 2.879 4.626 0.206 18 0 "[ . 1 . 2]" 1
847 1 72 THR HB 1 102 LYS HD2 . . 4.550 3.190 2.271 4.572 0.022 16 0 "[ . 1 . 2]" 1
848 1 72 THR MG 1 73 ALA H . . 3.880 3.623 2.565 3.935 0.055 9 0 "[ . 1 . 2]" 1
849 1 72 THR MG 1 102 LYS HB3 . . 3.490 3.194 1.856 3.664 0.174 20 0 "[ . 1 . 2]" 1
850 1 73 ALA H 1 73 ALA MB . . 2.750 2.242 2.157 2.423 . 0 0 "[ . 1 . 2]" 1
851 1 73 ALA H 1 74 CYS H . . 4.560 4.515 3.558 4.603 0.043 14 0 "[ . 1 . 2]" 1
852 1 73 ALA HA 1 74 CYS H . . 2.920 2.326 2.181 2.449 . 0 0 "[ . 1 . 2]" 1
853 1 73 ALA HA 1 74 CYS HA . . 4.790 4.358 4.294 4.632 . 0 0 "[ . 1 . 2]" 1
854 1 73 ALA HA 1 74 CYS HB2 . . 4.390 4.268 4.083 4.484 0.094 20 0 "[ . 1 . 2]" 1
855 1 73 ALA HA 1 90 PRO HB2 . . 4.610 3.912 3.041 4.664 0.054 9 0 "[ . 1 . 2]" 1
856 1 73 ALA HA 1 90 PRO HB3 . . 4.650 2.804 2.043 3.337 . 0 0 "[ . 1 . 2]" 1
857 1 73 ALA HA 1 90 PRO HG3 . . 5.300 4.771 3.989 5.317 0.017 13 0 "[ . 1 . 2]" 1
858 1 73 ALA MB 1 74 CYS H . . 3.390 2.603 2.304 3.586 0.196 8 0 "[ . 1 . 2]" 1
859 1 73 ALA MB 1 74 CYS HA . . 4.530 4.326 4.134 4.931 0.401 8 0 "[ . 1 . 2]" 1
860 1 73 ALA MB 1 74 CYS HB2 . . 4.650 4.481 4.113 4.719 0.069 8 0 "[ . 1 . 2]" 1
861 1 73 ALA MB 1 75 LYS H . . 5.500 5.380 5.149 5.798 0.298 8 0 "[ . 1 . 2]" 1
862 1 73 ALA MB 1 90 PRO HA . . 4.300 3.809 3.257 4.349 0.049 9 0 "[ . 1 . 2]" 1
863 1 73 ALA MB 1 90 PRO HB2 . . 4.060 3.080 2.260 3.576 . 0 0 "[ . 1 . 2]" 1
864 1 73 ALA MB 1 90 PRO HB3 . . 4.040 1.961 1.779 2.415 . 0 0 "[ . 1 . 2]" 1
865 1 73 ALA MB 1 90 PRO HD2 . . 5.370 4.559 3.899 5.063 . 0 0 "[ . 1 . 2]" 1
866 1 73 ALA MB 1 90 PRO HD3 . . 4.160 3.395 2.706 4.032 . 0 0 "[ . 1 . 2]" 1
867 1 73 ALA MB 1 90 PRO HG2 . . 4.150 3.916 3.432 4.197 0.047 2 0 "[ . 1 . 2]" 1
868 1 73 ALA MB 1 90 PRO HG3 . . 3.290 2.677 1.985 3.147 . 0 0 "[ . 1 . 2]" 1
869 1 74 CYS H 1 74 CYS HB2 . . 3.100 2.275 2.074 2.621 . 0 0 "[ . 1 . 2]" 1
870 1 74 CYS H 1 74 CYS HB3 . . 3.310 2.946 2.620 3.577 0.267 8 0 "[ . 1 . 2]" 1
871 1 74 CYS H 1 75 LYS H . . 4.880 4.591 4.526 4.644 . 0 0 "[ . 1 . 2]" 1
872 1 74 CYS H 1 90 PRO HA . . 3.890 2.604 2.058 3.892 0.002 8 0 "[ . 1 . 2]" 1
873 1 74 CYS H 1 90 PRO HB2 . . 4.680 3.899 3.353 4.837 0.157 8 0 "[ . 1 . 2]" 1
874 1 74 CYS H 1 90 PRO HB3 . . 4.490 2.354 1.838 3.688 . 0 0 "[ . 1 . 2]" 1
875 1 74 CYS H 1 93 CYS QB . . 3.730 3.491 2.950 3.876 0.146 8 0 "[ . 1 . 2]" 1
876 1 74 CYS H 1 102 LYS HD2 . . 5.410 5.280 3.443 5.655 0.245 3 0 "[ . 1 . 2]" 1
877 1 74 CYS HA 1 75 LYS H . . 2.920 2.357 2.189 2.849 . 0 0 "[ . 1 . 2]" 1
878 1 74 CYS HA 1 75 LYS QG . . 4.070 3.579 3.347 4.059 . 0 0 "[ . 1 . 2]" 1
879 1 74 CYS HA 1 76 CYS H . . 4.710 3.950 3.674 4.532 . 0 0 "[ . 1 . 2]" 1
880 1 74 CYS HA 1 90 PRO HA . . 5.020 4.840 4.480 5.166 0.146 4 0 "[ . 1 . 2]" 1
881 1 74 CYS HA 1 93 CYS QB . . 4.980 4.512 4.167 4.878 . 0 0 "[ . 1 . 2]" 1
882 1 74 CYS HA 1 102 LYS HA . . 5.070 4.484 3.444 5.160 0.090 17 0 "[ . 1 . 2]" 1
883 1 74 CYS HA 1 102 LYS HD2 . . 4.440 4.226 3.665 4.527 0.087 3 0 "[ . 1 . 2]" 1
884 1 74 CYS HA 1 102 LYS HD3 . . 4.260 3.143 2.414 3.525 . 0 0 "[ . 1 . 2]" 1
885 1 74 CYS HA 1 102 LYS QE . . 4.370 3.407 1.768 4.395 0.025 5 0 "[ . 1 . 2]" 1
886 1 74 CYS HB2 1 75 LYS H . . 4.380 4.120 3.373 4.329 . 0 0 "[ . 1 . 2]" 1
887 1 74 CYS HB2 1 76 CYS H . . 4.840 4.284 4.063 4.721 . 0 0 "[ . 1 . 2]" 1
888 1 74 CYS HB2 1 90 PRO HA . . 3.830 2.679 2.019 3.100 . 0 0 "[ . 1 . 2]" 1
889 1 74 CYS HB2 1 90 PRO HD3 . . 4.380 4.254 3.227 4.667 0.287 8 0 "[ . 1 . 2]" 1
890 1 74 CYS HB3 1 75 LYS H . . 4.610 3.333 2.145 3.803 . 0 0 "[ . 1 . 2]" 1
891 1 74 CYS HB3 1 75 LYS HA . . 4.640 4.607 4.145 4.820 0.180 20 0 "[ . 1 . 2]" 1
892 1 74 CYS HB3 1 76 CYS H . . 4.640 2.774 2.356 3.537 . 0 0 "[ . 1 . 2]" 1
893 1 74 CYS HB3 1 76 CYS HB2 . . 3.880 3.436 2.935 4.043 0.163 17 0 "[ . 1 . 2]" 1
894 1 74 CYS HB3 1 89 GLY H . . 4.590 3.531 2.698 4.410 . 0 0 "[ . 1 . 2]" 1
895 1 74 CYS HB3 1 89 GLY HA2 . . 3.920 3.174 2.527 3.831 . 0 0 "[ . 1 . 2]" 1
896 1 74 CYS HB3 1 89 GLY HA3 . . 5.110 4.578 3.998 5.242 0.132 8 0 "[ . 1 . 2]" 1
897 1 74 CYS HB3 1 90 PRO HA . . 4.050 3.313 2.431 4.106 0.056 3 0 "[ . 1 . 2]" 1
898 1 74 CYS HB3 1 90 PRO HD3 . . 4.570 3.303 2.141 4.105 . 0 0 "[ . 1 . 2]" 1
899 1 74 CYS HB3 1 93 CYS H . . 5.500 5.125 4.310 5.534 0.034 19 0 "[ . 1 . 2]" 1
900 1 74 CYS HB3 1 93 CYS QB . . 4.040 3.106 2.703 3.322 . 0 0 "[ . 1 . 2]" 1
901 1 75 LYS H 1 75 LYS HB2 . . 3.870 2.576 2.410 3.648 . 0 0 "[ . 1 . 2]" 1
902 1 75 LYS H 1 75 LYS QB . . 3.170 2.485 2.378 2.646 . 0 0 "[ . 1 . 2]" 1
903 1 75 LYS H 1 75 LYS HB3 . . 3.870 3.625 2.670 3.815 . 0 0 "[ . 1 . 2]" 1
904 1 75 LYS H 1 75 LYS QD . . 4.640 3.703 3.303 4.108 . 0 0 "[ . 1 . 2]" 1
905 1 75 LYS H 1 75 LYS HG2 . . 4.240 2.741 2.062 3.879 . 0 0 "[ . 1 . 2]" 1
906 1 75 LYS H 1 75 LYS QG . . 3.420 2.564 2.046 3.143 . 0 0 "[ . 1 . 2]" 1
907 1 75 LYS H 1 75 LYS HG3 . . 4.240 3.763 2.244 4.404 0.164 8 0 "[ . 1 . 2]" 1
908 1 75 LYS H 1 76 CYS H . . 3.260 2.392 1.788 2.670 . 0 0 "[ . 1 . 2]" 1
909 1 75 LYS H 1 76 CYS HA . . 4.870 4.742 4.435 4.907 0.037 18 0 "[ . 1 . 2]" 1
910 1 75 LYS H 1 76 CYS HB2 . . 4.690 4.561 3.990 4.762 0.072 3 0 "[ . 1 . 2]" 1
911 1 75 LYS H 1 101 CYS QB . . 4.200 2.518 1.703 3.767 . 0 0 "[ . 1 . 2]" 1
912 1 75 LYS H 1 102 LYS HA . . 5.500 5.389 4.890 5.789 0.289 8 0 "[ . 1 . 2]" 1
913 1 75 LYS H 1 102 LYS HD3 . . 5.500 4.622 3.429 5.056 . 0 0 "[ . 1 . 2]" 1
914 1 75 LYS HA 1 75 LYS QB . . 2.620 2.350 2.153 2.404 . 0 0 "[ . 1 . 2]" 1
915 1 75 LYS HA 1 75 LYS QD . . 4.340 2.366 1.894 4.443 0.103 12 0 "[ . 1 . 2]" 1
916 1 75 LYS HA 1 75 LYS HE2 . . 5.500 4.265 2.789 5.248 . 0 0 "[ . 1 . 2]" 1
917 1 75 LYS HA 1 75 LYS QE . . 4.820 3.766 2.714 4.439 . 0 0 "[ . 1 . 2]" 1
918 1 75 LYS HA 1 75 LYS HE3 . . 5.500 4.330 3.062 5.121 . 0 0 "[ . 1 . 2]" 1
919 1 75 LYS HA 1 75 LYS HG2 . . 4.000 3.050 2.572 3.681 . 0 0 "[ . 1 . 2]" 1
920 1 75 LYS HA 1 75 LYS QG . . 3.470 2.897 2.365 3.314 . 0 0 "[ . 1 . 2]" 1
921 1 75 LYS HA 1 75 LYS HG3 . . 4.000 3.663 2.760 3.830 . 0 0 "[ . 1 . 2]" 1
922 1 75 LYS QB 1 75 LYS QD . . 3.410 2.424 2.114 2.817 . 0 0 "[ . 1 . 2]" 1
923 1 75 LYS QB 1 76 CYS H . . 3.680 3.467 3.081 3.780 0.100 12 0 "[ . 1 . 2]" 1
924 1 75 LYS HB2 1 76 CYS H . . 4.350 3.673 3.204 4.268 . 0 0 "[ . 1 . 2]" 1
925 1 75 LYS HB3 1 76 CYS H . . 4.350 4.289 3.997 4.423 0.073 16 0 "[ . 1 . 2]" 1
926 1 75 LYS QD 1 76 CYS H . . 4.870 4.815 4.602 5.180 0.310 3 0 "[ . 1 . 2]" 1
927 1 75 LYS QE 1 75 LYS QG . . 3.340 2.350 2.069 2.763 . 0 0 "[ . 1 . 2]" 1
928 1 76 CYS H 1 76 CYS HB2 . . 3.100 2.444 2.373 2.595 . 0 0 "[ . 1 . 2]" 1
929 1 76 CYS H 1 76 CYS HB3 . . 3.730 3.589 3.548 3.633 . 0 0 "[ . 1 . 2]" 1
930 1 76 CYS H 1 77 ALA H . . 4.680 4.562 4.507 4.622 . 0 0 "[ . 1 . 2]" 1
931 1 76 CYS H 1 77 ALA HA . . 5.500 5.339 5.108 5.537 0.037 8 0 "[ . 1 . 2]" 1
932 1 76 CYS H 1 81 CYS HA . . 5.500 5.402 5.152 5.567 0.067 6 0 "[ . 1 . 2]" 1
933 1 76 CYS H 1 82 LYS QD . . 4.900 4.357 3.665 5.124 0.224 17 0 "[ . 1 . 2]" 1
934 1 76 CYS H 1 89 GLY H . . 4.740 4.072 3.690 4.742 0.002 17 0 "[ . 1 . 2]" 1
935 1 76 CYS H 1 89 GLY HA2 . . 4.790 3.632 3.097 3.963 . 0 0 "[ . 1 . 2]" 1
936 1 76 CYS H 1 89 GLY HA3 . . 5.500 5.321 4.806 5.670 0.170 17 0 "[ . 1 . 2]" 1
937 1 76 CYS H 1 101 CYS QB . . 5.020 4.212 3.724 5.206 0.186 7 0 "[ . 1 . 2]" 1
938 1 76 CYS HA 1 77 ALA H . . 2.840 2.388 2.269 2.577 . 0 0 "[ . 1 . 2]" 1
939 1 76 CYS HA 1 77 ALA HA . . 4.810 4.423 4.360 4.564 . 0 0 "[ . 1 . 2]" 1
940 1 76 CYS HA 1 77 ALA MB . . 3.910 3.855 3.775 3.942 0.032 3 0 "[ . 1 . 2]" 1
941 1 76 CYS HA 1 81 CYS HA . . 4.470 3.878 3.596 4.102 . 0 0 "[ . 1 . 2]" 1
942 1 76 CYS HA 1 82 LYS H . . 4.580 3.938 3.066 4.603 0.023 20 0 "[ . 1 . 2]" 1
943 1 76 CYS HA 1 82 LYS QD . . 4.010 2.579 1.938 3.131 . 0 0 "[ . 1 . 2]" 1
944 1 76 CYS HA 1 82 LYS QE . . 4.430 3.494 2.547 4.656 0.226 3 0 "[ . 1 . 2]" 1
945 1 76 CYS HA 1 82 LYS HG2 . . 5.500 4.752 3.761 5.636 0.136 17 0 "[ . 1 . 2]" 1
946 1 76 CYS HA 1 82 LYS QG . . 4.820 4.296 2.162 4.947 0.127 17 0 "[ . 1 . 2]" 1
947 1 76 CYS HA 1 82 LYS HG3 . . 5.500 5.126 2.175 5.765 0.265 12 0 "[ . 1 . 2]" 1
948 1 76 CYS HB2 1 77 ALA H . . 3.740 3.588 3.372 3.784 0.044 17 0 "[ . 1 . 2]" 1
949 1 76 CYS HB2 1 81 CYS HA . . 4.210 3.867 3.551 4.119 . 0 0 "[ . 1 . 2]" 1
950 1 76 CYS HB2 1 82 LYS H . . 5.280 4.585 4.111 5.078 . 0 0 "[ . 1 . 2]" 1
951 1 76 CYS HB2 1 87 CYS H . . 5.500 5.288 4.832 5.557 0.057 17 0 "[ . 1 . 2]" 1
952 1 76 CYS HB2 1 88 THR H . . 5.090 4.414 3.053 5.229 0.139 9 0 "[ . 1 . 2]" 1
953 1 76 CYS HB2 1 88 THR HA . . 3.520 2.942 2.193 3.253 . 0 0 "[ . 1 . 2]" 1
954 1 76 CYS HB2 1 88 THR MG . . 4.760 4.614 3.875 4.863 0.103 8 0 "[ . 1 . 2]" 1
955 1 76 CYS HB2 1 89 GLY H . . 3.510 2.179 1.787 2.837 . 0 0 "[ . 1 . 2]" 1
956 1 76 CYS HB2 1 89 GLY HA2 . . 4.620 3.109 2.553 3.677 . 0 0 "[ . 1 . 2]" 1
957 1 76 CYS HB3 1 77 ALA H . . 3.150 2.392 2.122 2.649 . 0 0 "[ . 1 . 2]" 1
958 1 76 CYS HB3 1 77 ALA MB . . 4.460 4.454 4.318 4.606 0.146 15 0 "[ . 1 . 2]" 1
959 1 76 CYS HB3 1 81 CYS H . . 4.910 4.746 4.393 4.954 0.044 6 0 "[ . 1 . 2]" 1
960 1 76 CYS HB3 1 81 CYS HA . . 3.420 2.532 2.184 2.869 . 0 0 "[ . 1 . 2]" 1
961 1 76 CYS HB3 1 82 LYS H . . 4.090 3.746 3.055 4.109 0.019 18 0 "[ . 1 . 2]" 1
962 1 76 CYS HB3 1 82 LYS QD . . 4.610 3.931 3.575 4.548 . 0 0 "[ . 1 . 2]" 1
963 1 76 CYS HB3 1 88 THR HA . . 3.520 2.400 1.941 2.784 . 0 0 "[ . 1 . 2]" 1
964 1 76 CYS HB3 1 88 THR HB . . 4.960 4.547 4.109 4.835 . 0 0 "[ . 1 . 2]" 1
965 1 76 CYS HB3 1 88 THR MG . . 4.280 3.693 2.880 3.984 . 0 0 "[ . 1 . 2]" 1
966 1 76 CYS HB3 1 89 GLY H . . 4.050 3.307 2.726 3.943 . 0 0 "[ . 1 . 2]" 1
967 1 77 ALA H 1 77 ALA MB . . 3.010 2.486 2.375 2.711 . 0 0 "[ . 1 . 2]" 1
968 1 77 ALA H 1 78 ALA H . . 4.520 4.415 4.356 4.492 . 0 0 "[ . 1 . 2]" 1
969 1 77 ALA H 1 80 SER H . . 4.290 3.262 3.025 3.555 . 0 0 "[ . 1 . 2]" 1
970 1 77 ALA H 1 80 SER HB2 . . 4.180 3.130 2.212 4.217 0.037 15 0 "[ . 1 . 2]" 1
971 1 77 ALA H 1 80 SER QB . . 3.660 2.580 2.195 3.469 . 0 0 "[ . 1 . 2]" 1
972 1 77 ALA H 1 80 SER HB3 . . 4.180 3.503 2.336 4.278 0.098 16 0 "[ . 1 . 2]" 1
973 1 77 ALA H 1 81 CYS HA . . 4.660 4.010 3.601 4.369 . 0 0 "[ . 1 . 2]" 1
974 1 77 ALA H 1 82 LYS QD . . 4.730 4.053 3.392 4.498 . 0 0 "[ . 1 . 2]" 1
975 1 77 ALA H 1 88 THR HA . . 4.430 3.712 3.125 4.156 . 0 0 "[ . 1 . 2]" 1
976 1 77 ALA H 1 88 THR HB . . 4.950 4.675 4.247 4.963 0.013 3 0 "[ . 1 . 2]" 1
977 1 77 ALA H 1 88 THR MG . . 4.410 4.252 3.649 4.445 0.035 18 0 "[ . 1 . 2]" 1
978 1 77 ALA HA 1 78 ALA H . . 2.860 2.520 2.434 2.591 . 0 0 "[ . 1 . 2]" 1
979 1 77 ALA HA 1 78 ALA HA . . 5.120 4.295 4.267 4.319 . 0 0 "[ . 1 . 2]" 1
980 1 77 ALA HA 1 78 ALA MB . . 4.410 4.217 4.130 4.332 . 0 0 "[ . 1 . 2]" 1
981 1 77 ALA MB 1 78 ALA H . . 2.860 2.169 2.051 2.297 . 0 0 "[ . 1 . 2]" 1
982 1 77 ALA MB 1 79 GLY H . . 4.350 3.897 2.582 4.610 0.260 13 0 "[ . 1 . 2]" 1
983 1 77 ALA MB 1 80 SER H . . 3.870 3.388 2.908 3.854 . 0 0 "[ . 1 . 2]" 1
984 1 77 ALA MB 1 80 SER HB2 . . 3.840 2.513 1.931 3.864 0.024 16 0 "[ . 1 . 2]" 1
985 1 77 ALA MB 1 80 SER QB . . 3.300 2.164 1.898 3.329 0.029 16 0 "[ . 1 . 2]" 1
986 1 77 ALA MB 1 80 SER HB3 . . 3.840 3.183 1.924 3.864 0.024 8 0 "[ . 1 . 2]" 1
987 1 77 ALA MB 1 88 THR MG . . 5.230 4.904 4.682 5.094 . 0 0 "[ . 1 . 2]" 1
988 1 78 ALA H 1 78 ALA MB . . 3.000 2.233 2.220 2.249 . 0 0 "[ . 1 . 2]" 1
989 1 78 ALA H 1 88 THR HB . . 4.740 4.389 3.780 4.701 . 0 0 "[ . 1 . 2]" 1
990 1 78 ALA H 1 88 THR MG . . 5.500 5.281 4.872 5.535 0.035 6 0 "[ . 1 . 2]" 1
991 1 78 ALA HA 1 79 GLY QA . . 4.600 3.987 3.850 4.245 . 0 0 "[ . 1 . 2]" 1
992 1 78 ALA HA 1 88 THR HB . . 3.150 2.339 1.877 2.918 . 0 0 "[ . 1 . 2]" 1
993 1 78 ALA HA 1 88 THR MG . . 4.150 3.643 2.985 4.185 0.035 14 0 "[ . 1 . 2]" 1
994 1 78 ALA MB 1 79 GLY H . . 4.770 3.238 2.516 3.552 . 0 0 "[ . 1 . 2]" 1
995 1 78 ALA MB 1 79 GLY QA . . 4.280 3.770 3.534 3.885 . 0 0 "[ . 1 . 2]" 1
996 1 78 ALA MB 1 88 THR HB . . 4.280 3.941 3.459 4.297 0.017 14 0 "[ . 1 . 2]" 1
997 1 78 ALA MB 1 88 THR MG . . 5.500 4.568 4.161 4.913 . 0 0 "[ . 1 . 2]" 1
998 1 79 GLY H 1 80 SER QB . . 4.680 4.326 3.540 4.777 0.097 16 0 "[ . 1 . 2]" 1
999 1 79 GLY H 1 88 THR HB . . 4.670 2.972 1.782 4.412 . 0 0 "[ . 1 . 2]" 1
1000 1 79 GLY H 1 88 THR MG . . 4.440 2.981 2.026 4.501 0.061 7 0 "[ . 1 . 2]" 1
1001 1 79 GLY QA 1 80 SER HA . . 4.470 3.992 3.969 4.013 . 0 0 "[ . 1 . 2]" 1
1002 1 79 GLY QA 1 88 THR HB . . 4.850 4.111 3.308 4.841 . 0 0 "[ . 1 . 2]" 1
1003 1 79 GLY QA 1 88 THR MG . . 4.210 2.956 2.341 3.594 . 0 0 "[ . 1 . 2]" 1
1004 1 80 SER H 1 80 SER HB2 . . 4.010 3.030 2.598 3.819 . 0 0 "[ . 1 . 2]" 1
1005 1 80 SER H 1 80 SER QB . . 3.260 2.776 2.553 3.157 . 0 0 "[ . 1 . 2]" 1
1006 1 80 SER H 1 80 SER HB3 . . 4.010 3.570 2.849 3.973 . 0 0 "[ . 1 . 2]" 1
1007 1 80 SER H 1 81 CYS H . . 3.910 3.829 3.602 4.025 0.115 4 0 "[ . 1 . 2]" 1
1008 1 80 SER H 1 88 THR HB . . 4.400 3.538 3.021 4.104 . 0 0 "[ . 1 . 2]" 1
1009 1 80 SER H 1 88 THR MG . . 3.350 2.684 2.185 3.362 0.012 17 0 "[ . 1 . 2]" 1
1010 1 80 SER HA 1 81 CYS H . . 2.830 2.183 2.130 2.258 . 0 0 "[ . 1 . 2]" 1
1011 1 80 SER HA 1 81 CYS QB . . 4.630 4.192 4.000 4.399 . 0 0 "[ . 1 . 2]" 1
1012 1 80 SER HA 1 88 THR MG . . 4.500 4.202 3.664 4.512 0.012 9 0 "[ . 1 . 2]" 1
1013 1 80 SER QB 1 81 CYS H . . 4.090 3.712 3.414 3.975 . 0 0 "[ . 1 . 2]" 1
1014 1 80 SER HB2 1 81 CYS H . . 4.660 4.377 3.586 4.488 . 0 0 "[ . 1 . 2]" 1
1015 1 80 SER HB3 1 81 CYS H . . 4.660 4.046 3.669 4.458 . 0 0 "[ . 1 . 2]" 1
1016 1 81 CYS H 1 81 CYS HB2 . . 3.430 2.782 2.224 3.187 . 0 0 "[ . 1 . 2]" 1
1017 1 81 CYS H 1 81 CYS QB . . 2.960 2.367 2.198 2.519 . 0 0 "[ . 1 . 2]" 1
1018 1 81 CYS H 1 81 CYS HB3 . . 3.430 2.768 2.340 3.653 0.223 16 0 "[ . 1 . 2]" 1
1019 1 81 CYS H 1 88 THR MG . . 3.820 3.729 3.084 3.978 0.158 5 0 "[ . 1 . 2]" 1
1020 1 81 CYS HA 1 82 LYS H . . 3.050 2.199 2.143 2.256 . 0 0 "[ . 1 . 2]" 1
1021 1 81 CYS HA 1 82 LYS HA . . 4.480 4.398 4.323 4.457 . 0 0 "[ . 1 . 2]" 1
1022 1 81 CYS HA 1 83 CYS H . . 4.630 4.189 3.620 4.650 0.020 10 0 "[ . 1 . 2]" 1
1023 1 81 CYS HA 1 84 GLY H . . 4.820 4.353 3.653 4.780 . 0 0 "[ . 1 . 2]" 1
1024 1 81 CYS HA 1 88 THR MG . . 4.530 3.725 3.242 4.171 . 0 0 "[ . 1 . 2]" 1
1025 1 81 CYS QB 1 86 GLY H . . 4.470 3.861 2.865 4.484 0.014 10 0 "[ . 1 . 2]" 1
1026 1 81 CYS QB 1 86 GLY HA2 . . 4.710 3.872 3.291 4.644 . 0 0 "[ . 1 . 2]" 1
1027 1 81 CYS QB 1 87 CYS H . . 4.710 4.047 3.401 4.718 0.008 20 0 "[ . 1 . 2]" 1
1028 1 81 CYS QB 1 88 THR MG . . 3.670 2.796 2.116 3.838 0.168 2 0 "[ . 1 . 2]" 1
1029 1 81 CYS HB2 1 86 GLY H . . 5.070 4.386 3.690 5.105 0.035 20 0 "[ . 1 . 2]" 1
1030 1 81 CYS HB2 1 87 CYS H . . 5.350 4.401 3.483 5.377 0.027 16 0 "[ . 1 . 2]" 1
1031 1 81 CYS HB3 1 86 GLY H . . 5.070 4.375 2.957 5.082 0.012 10 0 "[ . 1 . 2]" 1
1032 1 81 CYS HB3 1 87 CYS H . . 5.350 5.009 4.268 5.496 0.146 4 0 "[ . 1 . 2]" 1
1033 1 82 LYS H 1 82 LYS QD . . 3.840 2.492 1.804 3.889 0.049 3 0 "[ . 1 . 2]" 1
1034 1 82 LYS H 1 83 CYS H . . 3.380 2.374 2.016 2.753 . 0 0 "[ . 1 . 2]" 1
1035 1 82 LYS H 1 83 CYS HA . . 5.430 4.987 4.655 5.329 . 0 0 "[ . 1 . 2]" 1
1036 1 82 LYS HA 1 82 LYS QD . . 3.830 3.176 2.287 4.134 0.304 3 0 "[ . 1 . 2]" 1
1037 1 82 LYS HA 1 82 LYS QE . . 4.920 4.277 3.707 5.162 0.242 20 0 "[ . 1 . 2]" 1
1038 1 82 LYS HA 1 82 LYS HG2 . . 4.080 3.528 2.520 3.704 . 0 0 "[ . 1 . 2]" 1
1039 1 82 LYS HA 1 82 LYS QG . . 3.430 2.706 2.215 3.470 0.040 8 0 "[ . 1 . 2]" 1
1040 1 82 LYS HA 1 82 LYS HG3 . . 4.080 3.015 2.242 4.220 0.140 19 0 "[ . 1 . 2]" 1
1041 1 82 LYS HA 1 84 GLY H . . 4.240 4.195 3.713 4.484 0.244 16 0 "[ . 1 . 2]" 1
1042 1 82 LYS QB 1 82 LYS QE . . 4.490 3.082 1.830 3.860 . 0 0 "[ . 1 . 2]" 1
1043 1 82 LYS QB 1 83 CYS H . . 3.620 2.717 2.219 3.706 0.086 8 0 "[ . 1 . 2]" 1
1044 1 82 LYS QD 1 83 CYS H . . 4.290 3.920 3.241 4.393 0.103 3 0 "[ . 1 . 2]" 1
1045 1 83 CYS H 1 83 CYS HB2 . . 3.950 3.559 3.507 3.627 . 0 0 "[ . 1 . 2]" 1
1046 1 83 CYS H 1 83 CYS QB . . 3.400 2.525 2.410 2.653 . 0 0 "[ . 1 . 2]" 1
1047 1 83 CYS H 1 83 CYS HB3 . . 3.950 2.584 2.453 2.745 . 0 0 "[ . 1 . 2]" 1
1048 1 83 CYS H 1 84 GLY HA2 . . 5.330 4.848 4.644 5.071 . 0 0 "[ . 1 . 2]" 1
1049 1 83 CYS H 1 84 GLY QA . . 4.630 4.444 4.273 4.624 . 0 0 "[ . 1 . 2]" 1
1050 1 83 CYS H 1 84 GLY HA3 . . 5.330 5.163 4.991 5.332 0.002 4 0 "[ . 1 . 2]" 1
1051 1 83 CYS H 1 85 LYS H . . 5.010 4.240 4.062 4.452 . 0 0 "[ . 1 . 2]" 1
1052 1 83 CYS H 1 101 CYS QB . . 4.550 4.378 3.205 4.848 0.298 20 0 "[ . 1 . 2]" 1
1053 1 83 CYS HA 1 100 SER QB . . 5.160 3.836 2.719 4.706 . 0 0 "[ . 1 . 2]" 1
1054 1 83 CYS QB 1 100 SER H . . 3.880 3.015 2.467 3.661 . 0 0 "[ . 1 . 2]" 1
1055 1 83 CYS QB 1 100 SER QB . . 4.640 3.317 2.022 4.467 . 0 0 "[ . 1 . 2]" 1
1056 1 83 CYS QB 1 101 CYS H . . 3.610 3.199 2.791 3.528 . 0 0 "[ . 1 . 2]" 1
1057 1 83 CYS QB 1 101 CYS QB . . 3.440 3.256 2.072 3.625 0.185 16 0 "[ . 1 . 2]" 1
1058 1 83 CYS HB2 1 100 SER H . . 4.430 3.311 2.730 3.946 . 0 0 "[ . 1 . 2]" 1
1059 1 83 CYS HB2 1 101 CYS H . . 4.390 4.238 3.287 4.623 0.233 7 0 "[ . 1 . 2]" 1
1060 1 83 CYS HB3 1 100 SER H . . 4.430 3.518 2.754 4.339 . 0 0 "[ . 1 . 2]" 1
1061 1 83 CYS HB3 1 101 CYS H . . 4.390 3.324 2.856 3.690 . 0 0 "[ . 1 . 2]" 1
1062 1 84 GLY H 1 85 LYS H . . 3.240 2.373 2.204 2.593 . 0 0 "[ . 1 . 2]" 1
1063 1 84 GLY H 1 85 LYS QB . . 4.900 4.404 3.884 4.625 . 0 0 "[ . 1 . 2]" 1
1064 1 84 GLY H 1 85 LYS QG . . 5.340 4.254 3.758 5.534 0.194 16 0 "[ . 1 . 2]" 1
1065 1 84 GLY H 1 86 GLY H . . 4.480 3.746 3.292 4.290 . 0 0 "[ . 1 . 2]" 1
1066 1 84 GLY QA 1 86 GLY H . . 4.330 3.329 3.031 3.778 . 0 0 "[ . 1 . 2]" 1
1067 1 85 LYS H 1 85 LYS QB . . 2.920 2.398 2.029 2.507 . 0 0 "[ . 1 . 2]" 1
1068 1 85 LYS H 1 85 LYS QD . . 4.600 3.865 3.370 4.642 0.042 7 0 "[ . 1 . 2]" 1
1069 1 85 LYS H 1 85 LYS QE . . 5.170 4.786 4.327 5.227 0.057 5 0 "[ . 1 . 2]" 1
1070 1 85 LYS H 1 85 LYS QG . . 3.070 2.721 2.304 3.604 0.534 16 2 "[ . - 1 .+ 2]" 1
1071 1 85 LYS H 1 86 GLY H . . 3.110 2.275 2.144 2.427 . 0 0 "[ . 1 . 2]" 1
1072 1 85 LYS H 1 86 GLY HA2 . . 4.540 4.579 4.486 4.653 0.113 9 0 "[ . 1 . 2]" 1
1073 1 85 LYS H 1 87 CYS H . . 4.160 3.650 3.141 4.109 . 0 0 "[ . 1 . 2]" 1
1074 1 85 LYS HA 1 85 LYS QD . . 2.870 2.104 1.930 2.629 . 0 0 "[ . 1 . 2]" 1
1075 1 85 LYS HA 1 85 LYS QE . . 4.150 3.446 2.342 4.094 . 0 0 "[ . 1 . 2]" 1
1076 1 85 LYS HA 1 85 LYS HG2 . . 4.000 3.121 2.752 3.976 . 0 0 "[ . 1 . 2]" 1
1077 1 85 LYS HA 1 85 LYS QG . . 3.260 2.922 2.683 3.087 . 0 0 "[ . 1 . 2]" 1
1078 1 85 LYS HA 1 85 LYS HG3 . . 4.000 3.698 3.216 3.822 . 0 0 "[ . 1 . 2]" 1
1079 1 85 LYS QB 1 85 LYS QE . . 4.010 2.812 1.935 3.882 . 0 0 "[ . 1 . 2]" 1
1080 1 85 LYS QB 1 86 GLY H . . 3.730 3.188 2.698 3.557 . 0 0 "[ . 1 . 2]" 1
1081 1 85 LYS QB 1 87 CYS H . . 4.210 3.412 2.939 3.883 . 0 0 "[ . 1 . 2]" 1
1082 1 85 LYS QD 1 86 GLY H . . 5.290 4.855 4.493 5.078 . 0 0 "[ . 1 . 2]" 1
1083 1 85 LYS QE 1 85 LYS QG . . 3.200 2.414 2.124 2.880 . 0 0 "[ . 1 . 2]" 1
1084 1 85 LYS QG 1 86 GLY H . . 4.710 4.242 2.964 4.620 . 0 0 "[ . 1 . 2]" 1
1085 1 86 GLY H 1 87 CYS H . . 3.100 2.342 2.009 2.796 . 0 0 "[ . 1 . 2]" 1
1086 1 87 CYS H 1 87 CYS HB2 . . 3.950 3.524 2.631 3.721 . 0 0 "[ . 1 . 2]" 1
1087 1 87 CYS H 1 87 CYS QB . . 3.280 2.965 2.577 3.155 . 0 0 "[ . 1 . 2]" 1
1088 1 87 CYS H 1 87 CYS HB3 . . 3.950 3.233 2.867 3.685 . 0 0 "[ . 1 . 2]" 1
1089 1 87 CYS H 1 88 THR HA . . 4.820 4.678 4.301 4.930 0.110 3 0 "[ . 1 . 2]" 1
1090 1 87 CYS H 1 88 THR MG . . 4.840 4.234 3.626 4.724 . 0 0 "[ . 1 . 2]" 1
1091 1 87 CYS HA 1 88 THR MG . . 4.880 4.196 3.737 4.694 . 0 0 "[ . 1 . 2]" 1
1092 1 87 CYS HA 1 89 GLY H . . 4.670 4.347 3.813 4.767 0.097 20 0 "[ . 1 . 2]" 1
1093 1 87 CYS HA 1 92 SER QB . . 4.180 2.956 2.252 3.574 . 0 0 "[ . 1 . 2]" 1
1094 1 87 CYS HA 1 93 CYS QB . . 5.280 4.916 4.411 5.300 0.020 17 0 "[ . 1 . 2]" 1
1095 1 87 CYS HA 1 94 LYS H . . 5.370 4.946 3.672 5.585 0.215 9 0 "[ . 1 . 2]" 1
1096 1 87 CYS QB 1 88 THR H . . 3.750 3.236 2.437 3.725 . 0 0 "[ . 1 . 2]" 1
1097 1 87 CYS QB 1 88 THR HA . . 5.060 4.504 4.188 4.776 . 0 0 "[ . 1 . 2]" 1
1098 1 87 CYS QB 1 89 GLY H . . 3.520 3.012 2.559 3.396 . 0 0 "[ . 1 . 2]" 1
1099 1 87 CYS QB 1 93 CYS H . . 3.800 3.465 2.960 3.840 0.040 8 0 "[ . 1 . 2]" 1
1100 1 87 CYS QB 1 93 CYS HA . . 2.940 2.072 1.863 2.332 . 0 0 "[ . 1 . 2]" 1
1101 1 87 CYS QB 1 93 CYS QB . . 3.750 2.594 2.266 2.874 . 0 0 "[ . 1 . 2]" 1
1102 1 87 CYS QB 1 94 LYS H . . 3.850 3.361 2.840 3.826 . 0 0 "[ . 1 . 2]" 1
1103 1 87 CYS QB 1 95 CYS H . . 4.720 4.338 3.610 4.827 0.107 3 0 "[ . 1 . 2]" 1
1104 1 87 CYS HB2 1 88 THR H . . 4.470 3.444 2.478 4.112 . 0 0 "[ . 1 . 2]" 1
1105 1 87 CYS HB2 1 93 CYS H . . 4.630 3.706 3.031 4.705 0.075 3 0 "[ . 1 . 2]" 1
1106 1 87 CYS HB2 1 93 CYS HA . . 3.420 2.496 2.105 3.288 . 0 0 "[ . 1 . 2]" 1
1107 1 87 CYS HB2 1 94 LYS H . . 4.720 4.384 3.919 4.780 0.060 8 0 "[ . 1 . 2]" 1
1108 1 87 CYS HB3 1 88 THR H . . 4.470 4.048 3.328 4.458 . 0 0 "[ . 1 . 2]" 1
1109 1 87 CYS HB3 1 93 CYS H . . 4.630 4.388 3.100 4.738 0.108 19 0 "[ . 1 . 2]" 1
1110 1 87 CYS HB3 1 93 CYS HA . . 3.420 2.249 2.012 2.509 . 0 0 "[ . 1 . 2]" 1
1111 1 87 CYS HB3 1 94 LYS H . . 4.720 3.497 2.915 4.027 . 0 0 "[ . 1 . 2]" 1
1112 1 88 THR H 1 88 THR MG . . 3.830 2.830 2.498 3.227 . 0 0 "[ . 1 . 2]" 1
1113 1 88 THR H 1 89 GLY H . . 3.360 3.101 2.434 3.528 0.168 7 0 "[ . 1 . 2]" 1
1114 1 88 THR H 1 92 SER QB . . 5.250 3.143 1.865 5.160 . 0 0 "[ . 1 . 2]" 1
1115 1 88 THR HA 1 88 THR MG . . 3.020 2.244 2.191 2.289 . 0 0 "[ . 1 . 2]" 1
1116 1 88 THR HA 1 89 GLY H . . 3.460 2.665 2.449 2.887 . 0 0 "[ . 1 . 2]" 1
1117 1 88 THR HA 1 89 GLY HA2 . . 4.710 4.383 4.320 4.501 . 0 0 "[ . 1 . 2]" 1
1118 1 88 THR MG 1 89 GLY H . . 4.620 4.348 4.259 4.428 . 0 0 "[ . 1 . 2]" 1
1119 1 89 GLY H 1 90 PRO HD3 . . 4.940 4.757 4.456 4.990 0.050 1 0 "[ . 1 . 2]" 1
1120 1 89 GLY H 1 92 SER H . . 5.100 4.513 4.032 5.015 . 0 0 "[ . 1 . 2]" 1
1121 1 89 GLY H 1 93 CYS H . . 5.500 4.744 4.235 5.371 . 0 0 "[ . 1 . 2]" 1
1122 1 89 GLY H 1 93 CYS QB . . 4.610 3.934 3.672 4.276 . 0 0 "[ . 1 . 2]" 1
1123 1 89 GLY HA3 1 90 PRO HD2 . . 3.280 2.447 2.236 2.715 . 0 0 "[ . 1 . 2]" 1
1124 1 89 GLY HA3 1 90 PRO HD3 . . 3.580 3.486 3.282 3.648 0.068 6 0 "[ . 1 . 2]" 1
1125 1 89 GLY HA3 1 90 PRO HG2 . . 5.500 4.347 4.145 4.627 . 0 0 "[ . 1 . 2]" 1
1126 1 89 GLY HA3 1 91 ASP H . . 4.030 3.445 3.123 3.878 . 0 0 "[ . 1 . 2]" 1
1127 1 89 GLY HA3 1 91 ASP QB . . 5.180 4.351 3.701 5.001 . 0 0 "[ . 1 . 2]" 1
1128 1 90 PRO HA 1 93 CYS H . . 3.940 3.201 2.944 3.537 . 0 0 "[ . 1 . 2]" 1
1129 1 90 PRO HA 1 93 CYS QB . . 3.460 2.152 1.912 2.576 . 0 0 "[ . 1 . 2]" 1
1130 1 90 PRO HB2 1 91 ASP H . . 3.730 3.269 2.911 3.644 . 0 0 "[ . 1 . 2]" 1
1131 1 90 PRO HB2 1 91 ASP QB . . 4.820 4.610 4.209 4.981 0.161 1 0 "[ . 1 . 2]" 1
1132 1 90 PRO HB2 1 93 CYS QB . . 4.480 4.317 4.005 4.561 0.081 14 0 "[ . 1 . 2]" 1
1133 1 90 PRO HB3 1 93 CYS QB . . 4.460 4.046 3.768 4.461 0.001 14 0 "[ . 1 . 2]" 1
1134 1 90 PRO HD2 1 91 ASP H . . 3.930 2.925 2.557 3.138 . 0 0 "[ . 1 . 2]" 1
1135 1 90 PRO HG2 1 91 ASP H . . 4.140 2.386 2.090 2.671 . 0 0 "[ . 1 . 2]" 1
1136 1 90 PRO HG2 1 91 ASP HA . . 4.420 4.295 3.959 4.477 0.057 2 0 "[ . 1 . 2]" 1
1137 1 90 PRO HG2 1 93 CYS H . . 5.500 5.563 5.410 5.628 0.128 12 0 "[ . 1 . 2]" 1
1138 1 91 ASP H 1 91 ASP HB2 . . 3.940 2.709 2.354 3.612 . 0 0 "[ . 1 . 2]" 1
1139 1 91 ASP H 1 91 ASP QB . . 3.200 2.321 2.189 2.504 . 0 0 "[ . 1 . 2]" 1
1140 1 91 ASP H 1 91 ASP HB3 . . 3.940 2.721 2.322 3.598 . 0 0 "[ . 1 . 2]" 1
1141 1 91 ASP H 1 92 SER H . . 3.640 2.583 2.382 2.876 . 0 0 "[ . 1 . 2]" 1
1142 1 91 ASP H 1 93 CYS H . . 4.610 3.727 3.557 3.889 . 0 0 "[ . 1 . 2]" 1
1143 1 91 ASP HA 1 93 CYS H . . 4.510 4.047 3.707 4.321 . 0 0 "[ . 1 . 2]" 1
1144 1 91 ASP QB 1 92 SER H . . 4.160 2.849 2.427 3.552 . 0 0 "[ . 1 . 2]" 1
1145 1 92 SER H 1 92 SER QB . . 3.670 2.504 2.253 2.969 . 0 0 "[ . 1 . 2]" 1
1146 1 92 SER H 1 93 CYS H . . 3.070 2.253 2.008 2.511 . 0 0 "[ . 1 . 2]" 1
1147 1 92 SER H 1 93 CYS QB . . 4.150 3.943 3.715 4.157 0.007 14 0 "[ . 1 . 2]" 1
1148 1 92 SER QB 1 93 CYS H . . 4.250 3.330 2.771 3.891 . 0 0 "[ . 1 . 2]" 1
1149 1 92 SER HB2 1 93 CYS H . . 4.900 3.669 2.828 4.366 . 0 0 "[ . 1 . 2]" 1
1150 1 92 SER HB3 1 93 CYS H . . 4.900 4.102 3.011 4.548 . 0 0 "[ . 1 . 2]" 1
1151 1 93 CYS H 1 93 CYS QB . . 2.910 2.297 2.208 2.369 . 0 0 "[ . 1 . 2]" 1
1152 1 93 CYS H 1 94 LYS H . . 4.730 4.155 3.659 4.553 . 0 0 "[ . 1 . 2]" 1
1153 1 93 CYS HA 1 94 LYS H . . 3.090 2.157 2.055 2.413 . 0 0 "[ . 1 . 2]" 1
1154 1 93 CYS HA 1 94 LYS QB . . 4.760 4.488 4.302 4.672 . 0 0 "[ . 1 . 2]" 1
1155 1 93 CYS HA 1 94 LYS QG . . 4.640 3.893 3.471 4.467 . 0 0 "[ . 1 . 2]" 1
1156 1 93 CYS HA 1 95 CYS H . . 4.370 3.181 2.870 3.563 . 0 0 "[ . 1 . 2]" 1
1157 1 93 CYS QB 1 94 LYS H . . 4.200 3.905 3.557 4.009 . 0 0 "[ . 1 . 2]" 1
1158 1 93 CYS QB 1 94 LYS HA . . 4.750 4.645 4.480 4.754 0.004 14 0 "[ . 1 . 2]" 1
1159 1 93 CYS QB 1 95 CYS H . . 4.230 3.879 3.590 4.260 0.030 3 0 "[ . 1 . 2]" 1
1160 1 94 LYS H 1 94 LYS HB2 . . 4.050 3.006 2.423 3.993 . 0 0 "[ . 1 . 2]" 1
1161 1 94 LYS H 1 94 LYS QB . . 3.300 2.644 2.389 3.284 . 0 0 "[ . 1 . 2]" 1
1162 1 94 LYS H 1 94 LYS HB3 . . 4.050 3.405 2.726 3.773 . 0 0 "[ . 1 . 2]" 1
1163 1 94 LYS H 1 94 LYS QG . . 3.760 2.391 1.872 2.910 . 0 0 "[ . 1 . 2]" 1
1164 1 94 LYS H 1 95 CYS HA . . 4.920 4.573 4.047 4.846 . 0 0 "[ . 1 . 2]" 1
1165 1 94 LYS H 1 95 CYS QB . . 5.020 4.288 3.515 4.555 . 0 0 "[ . 1 . 2]" 1
1166 1 94 LYS HA 1 94 LYS QE . . 5.340 4.525 1.883 5.554 0.214 14 0 "[ . 1 . 2]" 1
1167 1 94 LYS HA 1 94 LYS QG . . 3.370 2.861 2.361 3.414 0.044 3 0 "[ . 1 . 2]" 1
1168 1 94 LYS QB 1 95 CYS H . . 3.900 3.781 3.548 4.006 0.106 3 0 "[ . 1 . 2]" 1
1169 1 94 LYS QB 1 95 CYS HA . . 5.340 4.372 4.101 4.645 . 0 0 "[ . 1 . 2]" 1
1170 1 94 LYS HB2 1 95 CYS H . . 4.470 4.110 3.737 4.451 . 0 0 "[ . 1 . 2]" 1
1171 1 94 LYS HB3 1 95 CYS H . . 4.470 4.442 4.315 4.545 0.075 3 0 "[ . 1 . 2]" 1
1172 1 94 LYS QG 1 95 CYS H . . 4.840 3.973 3.036 4.614 . 0 0 "[ . 1 . 2]" 1
1173 1 95 CYS H 1 95 CYS QB . . 3.000 2.513 2.368 2.944 . 0 0 "[ . 1 . 2]" 1
1174 1 95 CYS H 1 96 ASP H . . 4.630 4.402 3.322 4.547 . 0 0 "[ . 1 . 2]" 1
1175 1 95 CYS HA 1 96 ASP H . . 2.820 2.495 2.106 3.342 0.522 3 1 "[ + . 1 . 2]" 1
1176 1 95 CYS HA 1 96 ASP HA . . 5.250 4.377 4.294 4.635 . 0 0 "[ . 1 . 2]" 1
1177 1 95 CYS QB 1 96 ASP H . . 2.940 2.372 1.749 3.275 0.335 9 0 "[ . 1 . 2]" 1
1178 1 96 ASP H 1 96 ASP QB . . 3.290 2.667 2.448 3.252 . 0 0 "[ . 1 . 2]" 1
1179 1 96 ASP H 1 97 ARG H . . 4.560 4.089 2.985 4.459 . 0 0 "[ . 1 . 2]" 1
1180 1 96 ASP HA 1 97 ARG H . . 3.490 2.930 2.576 3.535 0.045 9 0 "[ . 1 . 2]" 1
1181 1 96 ASP HA 1 98 SER H . . 4.700 4.251 4.075 4.622 . 0 0 "[ . 1 . 2]" 1
1182 1 96 ASP QB 1 97 ARG H . . 3.000 1.801 1.707 1.991 . 0 0 "[ . 1 . 2]" 1
1183 1 96 ASP QB 1 97 ARG QG . . 4.300 2.973 2.559 3.560 . 0 0 "[ . 1 . 2]" 1
1184 1 96 ASP QB 1 98 SER H . . 3.620 3.031 2.281 3.645 0.025 5 0 "[ . 1 . 2]" 1
1185 1 96 ASP HB2 1 97 ARG H . . 3.560 2.138 1.729 3.034 . 0 0 "[ . 1 . 2]" 1
1186 1 96 ASP HB3 1 97 ARG H . . 3.560 2.750 1.771 3.450 . 0 0 "[ . 1 . 2]" 1
1187 1 97 ARG H 1 97 ARG QB . . 3.360 2.566 2.380 3.092 . 0 0 "[ . 1 . 2]" 1
1188 1 97 ARG H 1 97 ARG HD2 . . 4.700 4.593 3.659 4.843 0.143 9 0 "[ . 1 . 2]" 1
1189 1 97 ARG H 1 97 ARG QD . . 4.020 3.727 3.382 4.048 0.028 3 0 "[ . 1 . 2]" 1
1190 1 97 ARG H 1 97 ARG HD3 . . 4.700 3.962 3.558 4.499 . 0 0 "[ . 1 . 2]" 1
1191 1 97 ARG H 1 97 ARG QG . . 3.720 2.054 1.781 2.433 . 0 0 "[ . 1 . 2]" 1
1192 1 97 ARG H 1 98 SER H . . 3.180 2.590 2.048 2.986 . 0 0 "[ . 1 . 2]" 1
1193 1 97 ARG H 1 98 SER HA . . 5.270 4.919 4.252 5.276 0.006 6 0 "[ . 1 . 2]" 1
1194 1 97 ARG HA 1 97 ARG HD2 . . 5.250 4.720 4.520 4.926 . 0 0 "[ . 1 . 2]" 1
1195 1 97 ARG HA 1 97 ARG QD . . 4.490 4.242 4.172 4.398 . 0 0 "[ . 1 . 2]" 1
1196 1 97 ARG HA 1 97 ARG HD3 . . 5.250 4.842 4.619 5.470 0.220 13 0 "[ . 1 . 2]" 1
1197 1 97 ARG HA 1 97 ARG QG . . 3.570 3.332 3.293 3.359 . 0 0 "[ . 1 . 2]" 1
1198 1 97 ARG HA 1 98 SER HA . . 5.100 4.743 4.616 4.852 . 0 0 "[ . 1 . 2]" 1
1199 1 97 ARG HA 1 99 CYS H . . 4.340 3.370 3.159 3.691 . 0 0 "[ . 1 . 2]" 1
1200 1 97 ARG HA 1 99 CYS HB3 . . 5.500 5.200 4.408 5.724 0.224 13 0 "[ . 1 . 2]" 1
1201 1 97 ARG HA 1 102 LYS HD2 . . 4.760 4.653 3.754 4.931 0.171 12 0 "[ . 1 . 2]" 1
1202 1 97 ARG HA 1 102 LYS HD3 . . 5.500 5.274 4.823 5.584 0.084 19 0 "[ . 1 . 2]" 1
1203 1 97 ARG HA 1 102 LYS QE . . 4.330 3.505 2.324 4.509 0.179 9 0 "[ . 1 . 2]" 1
1204 1 97 ARG HA 1 102 LYS HG2 . . 4.240 3.813 3.408 4.184 . 0 0 "[ . 1 . 2]" 1
1205 1 97 ARG HA 1 102 LYS HG3 . . 3.580 2.542 2.124 2.900 . 0 0 "[ . 1 . 2]" 1
1206 1 97 ARG QB 1 97 ARG HD2 . . 3.500 2.344 2.185 2.520 . 0 0 "[ . 1 . 2]" 1
1207 1 97 ARG QB 1 97 ARG HD3 . . 3.500 2.469 2.264 3.256 . 0 0 "[ . 1 . 2]" 1
1208 1 97 ARG QB 1 98 SER H . . 3.950 3.845 3.607 4.026 0.076 5 0 "[ . 1 . 2]" 1
1209 1 97 ARG QG 1 98 SER H . . 4.450 3.086 2.510 3.697 . 0 0 "[ . 1 . 2]" 1
1210 1 98 SER H 1 98 SER HB2 . . 3.780 2.707 2.371 3.605 . 0 0 "[ . 1 . 2]" 1
1211 1 98 SER H 1 98 SER QB . . 3.280 2.482 2.227 2.797 . 0 0 "[ . 1 . 2]" 1
1212 1 98 SER H 1 98 SER HB3 . . 3.780 3.226 2.508 3.638 . 0 0 "[ . 1 . 2]" 1
1213 1 98 SER H 1 99 CYS H . . 3.190 2.668 2.267 3.422 0.232 18 0 "[ . 1 . 2]" 1
1214 1 98 SER H 1 99 CYS HA . . 5.420 5.054 4.730 5.303 . 0 0 "[ . 1 . 2]" 1
1215 1 98 SER H 1 102 LYS QE . . 5.340 5.125 3.854 5.591 0.251 11 0 "[ . 1 . 2]" 1
1216 1 98 SER QB 1 99 CYS H . . 4.190 3.422 2.939 3.977 . 0 0 "[ . 1 . 2]" 1
1217 1 98 SER HB2 1 99 CYS H . . 4.780 3.805 3.006 4.619 . 0 0 "[ . 1 . 2]" 1
1218 1 98 SER HB3 1 99 CYS H . . 4.780 4.119 3.018 4.472 . 0 0 "[ . 1 . 2]" 1
1219 1 99 CYS H 1 99 CYS HB2 . . 3.050 2.298 2.085 2.820 . 0 0 "[ . 1 . 2]" 1
1220 1 99 CYS H 1 99 CYS HB3 . . 3.650 3.240 2.757 3.549 . 0 0 "[ . 1 . 2]" 1
1221 1 99 CYS H 1 100 SER H . . 4.730 4.486 4.116 4.598 . 0 0 "[ . 1 . 2]" 1
1222 1 99 CYS H 1 102 LYS HG2 . . 4.160 3.374 2.881 3.815 . 0 0 "[ . 1 . 2]" 1
1223 1 99 CYS H 1 102 LYS HG3 . . 4.510 3.732 3.014 4.401 . 0 0 "[ . 1 . 2]" 1
1224 1 99 CYS HA 1 100 SER H . . 2.930 2.163 2.117 2.216 . 0 0 "[ . 1 . 2]" 1
1225 1 99 CYS HA 1 101 CYS H . . 4.130 3.655 3.335 3.849 . 0 0 "[ . 1 . 2]" 1
1226 1 99 CYS HA 1 102 LYS H . . 5.110 4.881 4.566 5.064 . 0 0 "[ . 1 . 2]" 1
1227 1 99 CYS HB2 1 102 LYS H . . 4.700 4.305 3.396 4.862 0.162 11 0 "[ . 1 . 2]" 1
1228 1 99 CYS HB2 1 102 LYS QE . . 3.950 2.445 1.787 3.625 . 0 0 "[ . 1 . 2]" 1
1229 1 99 CYS HB2 1 102 LYS HG3 . . 4.510 3.523 2.709 4.514 0.004 20 0 "[ . 1 . 2]" 1
1230 1 99 CYS HB3 1 100 SER H . . 3.980 3.495 3.066 3.959 . 0 0 "[ . 1 . 2]" 1
1231 1 99 CYS HB3 1 100 SER QB . . 5.340 5.176 4.668 5.480 0.140 4 0 "[ . 1 . 2]" 1
1232 1 99 CYS HB3 1 101 CYS H . . 3.550 2.670 2.216 3.276 . 0 0 "[ . 1 . 2]" 1
1233 1 99 CYS HB3 1 102 LYS H . . 4.080 3.146 2.725 3.694 . 0 0 "[ . 1 . 2]" 1
1234 1 99 CYS HB3 1 102 LYS HA . . 5.000 4.791 4.146 5.128 0.128 7 0 "[ . 1 . 2]" 1
1235 1 99 CYS HB3 1 102 LYS HD3 . . 5.100 3.338 2.448 3.808 . 0 0 "[ . 1 . 2]" 1
1236 1 99 CYS HB3 1 102 LYS HG2 . . 4.170 2.327 1.841 3.162 . 0 0 "[ . 1 . 2]" 1
1237 1 99 CYS HB3 1 102 LYS HG3 . . 4.650 3.826 3.277 4.602 . 0 0 "[ . 1 . 2]" 1
1238 1 100 SER H 1 100 SER QB . . 3.250 2.480 2.248 2.736 . 0 0 "[ . 1 . 2]" 1
1239 1 100 SER H 1 101 CYS H . . 3.300 2.553 2.203 2.704 . 0 0 "[ . 1 . 2]" 1
1240 1 100 SER H 1 102 LYS H . . 4.650 4.304 3.984 4.500 . 0 0 "[ . 1 . 2]" 1
1241 1 100 SER HA 1 101 CYS HA . . 4.800 4.671 4.584 4.736 . 0 0 "[ . 1 . 2]" 1
1242 1 100 SER HA 1 102 LYS H . . 3.920 3.593 3.256 3.954 0.034 20 0 "[ . 1 . 2]" 1
1243 1 100 SER HA 1 102 LYS HB2 . . 4.920 4.728 4.188 5.007 0.087 3 0 "[ . 1 . 2]" 1
1244 1 100 SER HA 1 102 LYS HG2 . . 5.300 4.863 3.945 5.189 . 0 0 "[ . 1 . 2]" 1
1245 1 100 SER QB 1 101 CYS H . . 4.460 3.234 2.897 3.610 . 0 0 "[ . 1 . 2]" 1
1246 1 100 SER QB 1 101 CYS HA . . 5.340 4.101 3.835 4.298 . 0 0 "[ . 1 . 2]" 1
1247 1 101 CYS H 1 101 CYS HB2 . . 4.020 2.715 2.224 3.658 . 0 0 "[ . 1 . 2]" 1
1248 1 101 CYS H 1 101 CYS QB . . 3.230 2.391 2.201 2.773 . 0 0 "[ . 1 . 2]" 1
1249 1 101 CYS H 1 101 CYS HB3 . . 4.020 3.264 2.510 3.600 . 0 0 "[ . 1 . 2]" 1
1250 1 101 CYS H 1 102 LYS H . . 3.160 2.513 2.192 2.744 . 0 0 "[ . 1 . 2]" 1
1251 1 101 CYS H 1 102 LYS HB2 . . 5.000 4.874 4.641 5.067 0.067 20 0 "[ . 1 . 2]" 1
1252 1 101 CYS H 1 102 LYS HD3 . . 4.930 4.482 3.915 4.964 0.034 1 0 "[ . 1 . 2]" 1
1253 1 101 CYS H 1 102 LYS HG2 . . 4.380 3.750 3.468 4.059 . 0 0 "[ . 1 . 2]" 1
1254 1 101 CYS QB 1 102 LYS H . . 4.260 3.465 2.998 3.895 . 0 0 "[ . 1 . 2]" 1
1255 1 101 CYS HB2 1 102 LYS H . . 4.970 3.768 3.126 4.305 . 0 0 "[ . 1 . 2]" 1
1256 1 101 CYS HB3 1 102 LYS H . . 4.970 4.139 3.429 4.465 . 0 0 "[ . 1 . 2]" 1
1257 1 102 LYS H 1 102 LYS HB2 . . 3.120 2.560 2.448 2.670 . 0 0 "[ . 1 . 2]" 1
1258 1 102 LYS H 1 102 LYS HB3 . . 3.590 3.629 3.596 3.679 0.089 18 0 "[ . 1 . 2]" 1
1259 1 102 LYS H 1 102 LYS HD3 . . 3.350 3.212 2.805 3.476 0.126 19 0 "[ . 1 . 2]" 1
1260 1 102 LYS HA 1 102 LYS HD2 . . 3.270 2.560 1.981 3.088 . 0 0 "[ . 1 . 2]" 1
1261 1 102 LYS HA 1 102 LYS HD3 . . 3.230 2.284 1.990 2.809 . 0 0 "[ . 1 . 2]" 1
1262 1 102 LYS HA 1 102 LYS QE . . 4.680 4.051 3.872 4.209 . 0 0 "[ . 1 . 2]" 1
1263 1 102 LYS HA 1 102 LYS HG3 . . 4.140 3.739 3.663 3.850 . 0 0 "[ . 1 . 2]" 1
1264 1 102 LYS HB2 1 102 LYS QE . . 5.130 4.352 4.242 4.459 . 0 0 "[ . 1 . 2]" 1
1265 1 102 LYS QE 1 102 LYS HG2 . . 3.580 2.546 2.338 3.279 . 0 0 "[ . 1 . 2]" 1
1266 1 102 LYS QE 1 102 LYS HG3 . . 3.400 2.508 2.224 2.837 . 0 0 "[ . 1 . 2]" 1
1267 1 102 LYS HE2 1 102 LYS HG2 . . 4.180 3.274 2.541 3.808 . 0 0 "[ . 1 . 2]" 1
1268 1 102 LYS HE3 1 102 LYS HG2 . . 4.180 2.885 2.367 4.033 . 0 0 "[ . 1 . 2]" 1
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