NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
442796 |
2kdh   |
17243 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kdh
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 657
_Distance_constraint_stats_list.Viol_count 198
_Distance_constraint_stats_list.Viol_total 265.060
_Distance_constraint_stats_list.Viol_max 0.238
_Distance_constraint_stats_list.Viol_rms 0.0061
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0004
_Distance_constraint_stats_list.Viol_average_violations_only 0.0446
_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 2 GLY 0.074 0.074 8 0 "[ . 1 . 2 . 3]"
1 3 LYS 0.148 0.032 18 0 "[ . 1 . 2 . 3]"
1 4 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 5 GLU 0.253 0.068 20 0 "[ . 1 . 2 . 3]"
1 6 GLU 0.148 0.032 18 0 "[ . 1 . 2 . 3]"
1 7 GLU 0.074 0.074 8 0 "[ . 1 . 2 . 3]"
1 8 LEU 1.032 0.100 22 0 "[ . 1 . 2 . 3]"
1 9 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 10 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 11 LEU 0.491 0.106 7 0 "[ . 1 . 2 . 3]"
1 12 PHE 0.001 0.001 5 0 "[ . 1 . 2 . 3]"
1 13 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 14 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 15 PHE 0.371 0.094 26 0 "[ . 1 . 2 . 3]"
1 16 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 17 LYS 0.380 0.132 8 0 "[ . 1 . 2 . 3]"
1 18 ASN 0.149 0.033 9 0 "[ . 1 . 2 . 3]"
1 19 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 20 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 21 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 22 TYR 0.002 0.002 29 0 "[ . 1 . 2 . 3]"
1 23 ILE 0.422 0.094 26 0 "[ . 1 . 2 . 3]"
1 24 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 25 LEU 0.649 0.115 20 0 "[ . 1 . 2 . 3]"
1 26 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 27 GLU 0.149 0.033 9 0 "[ . 1 . 2 . 3]"
1 28 LEU 2.905 0.238 27 0 "[ . 1 . 2 . 3]"
1 29 LYS 0.181 0.073 22 0 "[ . 1 . 2 . 3]"
1 30 ILE 0.380 0.132 8 0 "[ . 1 . 2 . 3]"
1 31 MET 0.068 0.068 3 0 "[ . 1 . 2 . 3]"
1 32 LEU 0.037 0.032 6 0 "[ . 1 . 2 . 3]"
1 33 GLN 0.006 0.006 13 0 "[ . 1 . 2 . 3]"
1 34 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 35 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 36 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 37 GLU 0.043 0.032 6 0 "[ . 1 . 2 . 3]"
1 38 THR 0.809 0.071 9 0 "[ . 1 . 2 . 3]"
1 39 ILE 1.004 0.111 7 0 "[ . 1 . 2 . 3]"
1 40 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 41 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 42 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 43 ASP 0.195 0.111 7 0 "[ . 1 . 2 . 3]"
1 44 ILE 0.214 0.073 22 0 "[ . 1 . 2 . 3]"
1 45 GLU 0.031 0.017 22 0 "[ . 1 . 2 . 3]"
1 46 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 47 LEU 0.033 0.014 30 0 "[ . 1 . 2 . 3]"
1 48 MET 1.097 0.115 20 0 "[ . 1 . 2 . 3]"
1 49 LYS 0.001 0.001 19 0 "[ . 1 . 2 . 3]"
1 50 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 51 GLY 0.048 0.030 11 0 "[ . 1 . 2 . 3]"
1 52 ASP 0.001 0.001 19 0 "[ . 1 . 2 . 3]"
1 53 LYS 0.014 0.014 6 0 "[ . 1 . 2 . 3]"
1 54 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 55 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 56 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 57 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 58 ARG 0.002 0.002 29 0 "[ . 1 . 2 . 3]"
1 59 ILE 3.051 0.238 27 0 "[ . 1 . 2 . 3]"
1 60 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 61 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 62 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 63 GLU 0.014 0.014 6 0 "[ . 1 . 2 . 3]"
1 64 PHE 0.135 0.106 7 0 "[ . 1 . 2 . 3]"
1 65 LEU 0.816 0.140 26 0 "[ . 1 . 2 . 3]"
1 66 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 67 PHE 0.048 0.030 11 0 "[ . 1 . 2 . 3]"
1 68 MET 0.496 0.093 6 0 "[ . 1 . 2 . 3]"
1 69 LYS 0.023 0.015 26 0 "[ . 1 . 2 . 3]"
1 70 GLY 0.060 0.053 30 0 "[ . 1 . 2 . 3]"
1 71 VAL 0.337 0.093 6 0 "[ . 1 . 2 . 3]"
1 72 GLU 0.006 0.006 1 0 "[ . 1 . 2 . 3]"
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 2 GLY QA 1 7 GLU QB 4.810 . 4.810 2.936 1.726 3.831 0.074 8 0 "[ . 1 . 2 . 3]" 1
2 1 2 GLY QA 1 8 LEU H 5.800 . 5.800 4.395 3.531 5.087 . 0 0 "[ . 1 . 2 . 3]" 1
3 1 2 GLY QA 1 8 LEU HA 5.230 . 5.230 3.736 2.912 4.627 . 0 0 "[ . 1 . 2 . 3]" 1
4 1 3 LYS H 1 4 SER H 5.910 . 5.910 3.005 2.346 4.189 . 0 0 "[ . 1 . 2 . 3]" 1
5 1 3 LYS H 1 6 GLU H 6.000 . 6.000 5.907 5.494 6.032 0.032 18 0 "[ . 1 . 2 . 3]" 1
6 1 3 LYS H 1 7 GLU H 5.620 . 5.620 4.130 3.488 5.122 . 0 0 "[ . 1 . 2 . 3]" 1
7 1 3 LYS H 1 7 GLU QB 4.830 . 4.830 2.680 1.920 4.019 . 0 0 "[ . 1 . 2 . 3]" 1
8 1 3 LYS H 1 8 LEU H 5.100 . 5.100 3.623 2.848 4.244 . 0 0 "[ . 1 . 2 . 3]" 1
9 1 3 LYS QB 1 4 SER H 5.420 . 5.420 1.947 1.803 2.161 . 0 0 "[ . 1 . 2 . 3]" 1
10 1 3 LYS QB 1 6 GLU QB 5.900 . 5.900 4.357 3.391 4.689 . 0 0 "[ . 1 . 2 . 3]" 1
11 1 3 LYS QB 1 7 GLU H 5.560 . 5.560 4.014 3.127 4.783 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 3 LYS QB 1 7 GLU QB 5.800 . 5.800 3.051 1.995 4.249 . 0 0 "[ . 1 . 2 . 3]" 1
13 1 3 LYS QB 1 8 LEU QD 5.940 . 5.940 3.905 3.697 3.945 . 0 0 "[ . 1 . 2 . 3]" 1
14 1 3 LYS QG 1 4 SER H 5.860 . 5.860 3.494 1.901 4.076 . 0 0 "[ . 1 . 2 . 3]" 1
15 1 4 SER H 1 6 GLU QB 6.000 . 6.000 3.837 3.157 4.339 . 0 0 "[ . 1 . 2 . 3]" 1
16 1 4 SER H 1 7 GLU H 4.980 . 4.980 3.427 2.567 4.511 . 0 0 "[ . 1 . 2 . 3]" 1
17 1 4 SER H 1 7 GLU QB 5.130 . 5.130 3.495 1.908 4.582 . 0 0 "[ . 1 . 2 . 3]" 1
18 1 4 SER HA 1 5 GLU H 4.460 . 4.460 2.591 2.425 2.773 . 0 0 "[ . 1 . 2 . 3]" 1
19 1 4 SER HA 1 5 GLU HA 5.460 . 5.460 4.410 4.398 4.427 . 0 0 "[ . 1 . 2 . 3]" 1
20 1 4 SER HA 1 6 GLU H 5.680 . 5.680 4.120 4.017 4.240 . 0 0 "[ . 1 . 2 . 3]" 1
21 1 4 SER QB 1 5 GLU H 4.790 . 4.790 2.630 1.917 3.290 . 0 0 "[ . 1 . 2 . 3]" 1
22 1 4 SER QB 1 7 GLU H 5.610 . 5.610 3.925 3.179 5.011 . 0 0 "[ . 1 . 2 . 3]" 1
23 1 4 SER HB2 1 6 GLU H 5.240 . 5.240 3.552 2.488 4.260 . 0 0 "[ . 1 . 2 . 3]" 1
24 1 4 SER HB3 1 6 GLU H 5.240 . 5.240 2.924 2.128 4.344 . 0 0 "[ . 1 . 2 . 3]" 1
25 1 5 GLU H 1 6 GLU H 4.920 . 4.920 2.788 2.623 2.944 . 0 0 "[ . 1 . 2 . 3]" 1
26 1 5 GLU HA 1 8 LEU H 5.660 . 5.660 3.465 3.182 3.833 . 0 0 "[ . 1 . 2 . 3]" 1
27 1 5 GLU HA 1 8 LEU QB 4.260 . 4.260 1.977 1.732 2.540 0.068 20 0 "[ . 1 . 2 . 3]" 1
28 1 5 GLU HA 1 8 LEU QD 5.090 . 5.090 3.320 2.890 3.597 . 0 0 "[ . 1 . 2 . 3]" 1
29 1 5 GLU HA 1 9 SER H 5.610 . 5.610 3.557 2.817 4.025 . 0 0 "[ . 1 . 2 . 3]" 1
30 1 5 GLU HA 1 9 SER QB 5.090 . 5.090 4.292 3.502 4.550 . 0 0 "[ . 1 . 2 . 3]" 1
31 1 5 GLU QG 1 8 LEU QB 5.520 . 5.520 3.382 2.709 4.044 . 0 0 "[ . 1 . 2 . 3]" 1
32 1 5 GLU QG 1 8 LEU QD 5.760 . 5.760 3.660 3.076 3.845 . 0 0 "[ . 1 . 2 . 3]" 1
33 1 5 GLU QG 1 8 LEU HG 5.620 . 5.620 4.272 3.462 5.035 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 6 GLU H 1 7 GLU H 4.770 . 4.770 2.923 2.506 3.278 . 0 0 "[ . 1 . 2 . 3]" 1
35 1 6 GLU H 1 8 LEU H 5.280 . 5.280 3.799 3.594 4.184 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 6 GLU QB 1 7 GLU H 4.400 . 4.400 2.223 1.849 2.665 . 0 0 "[ . 1 . 2 . 3]" 1
37 1 7 GLU H 1 7 GLU QG 4.770 . 4.770 3.239 1.900 4.056 . 0 0 "[ . 1 . 2 . 3]" 1
38 1 7 GLU H 1 8 LEU H 4.590 . 4.590 2.322 2.176 2.524 . 0 0 "[ . 1 . 2 . 3]" 1
39 1 7 GLU H 1 8 LEU QD 5.840 . 5.840 4.008 3.302 4.328 . 0 0 "[ . 1 . 2 . 3]" 1
40 1 7 GLU HA 1 10 ASP H 5.310 . 5.310 3.548 2.979 4.253 . 0 0 "[ . 1 . 2 . 3]" 1
41 1 7 GLU HA 1 10 ASP QB 5.090 . 5.090 3.375 1.945 4.473 . 0 0 "[ . 1 . 2 . 3]" 1
42 1 7 GLU QB 1 8 LEU H 5.020 . 5.020 2.824 2.443 3.617 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 7 GLU HB2 1 8 LEU H 5.860 . 5.860 3.231 2.601 4.069 . 0 0 "[ . 1 . 2 . 3]" 1
44 1 7 GLU HB3 1 8 LEU H 5.860 . 5.860 3.349 2.517 4.127 . 0 0 "[ . 1 . 2 . 3]" 1
45 1 8 LEU H 1 8 LEU QD 5.040 . 5.040 2.562 1.917 3.070 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 8 LEU H 1 8 LEU HG 5.050 . 5.050 3.259 1.882 4.460 . 0 0 "[ . 1 . 2 . 3]" 1
47 1 8 LEU H 1 9 SER H 4.540 . 4.540 2.804 2.362 3.109 . 0 0 "[ . 1 . 2 . 3]" 1
48 1 8 LEU H 1 11 LEU H 5.780 . 5.780 4.867 4.508 5.379 . 0 0 "[ . 1 . 2 . 3]" 1
49 1 8 LEU HA 1 8 LEU QD 4.220 . 4.220 1.828 1.700 2.035 0.100 22 0 "[ . 1 . 2 . 3]" 1
50 1 8 LEU HA 1 11 LEU H 5.440 . 5.440 3.423 2.906 4.039 . 0 0 "[ . 1 . 2 . 3]" 1
51 1 8 LEU HA 1 11 LEU QB 5.010 . 5.010 2.398 1.795 4.337 0.005 3 0 "[ . 1 . 2 . 3]" 1
52 1 8 LEU QB 1 9 SER H 4.710 . 4.710 2.660 2.310 2.984 . 0 0 "[ . 1 . 2 . 3]" 1
53 1 8 LEU QB 1 64 PHE QE 5.580 . 5.580 3.729 1.910 4.425 . 0 0 "[ . 1 . 2 . 3]" 1
54 1 8 LEU QD 1 9 SER H 5.820 . 5.820 3.941 3.751 4.166 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 8 LEU QD 1 11 LEU QD 5.110 . 5.110 2.139 1.703 2.738 0.097 18 0 "[ . 1 . 2 . 3]" 1
56 1 8 LEU QD 1 64 PHE HB3 6.000 . 6.000 4.274 3.550 4.466 . 0 0 "[ . 1 . 2 . 3]" 1
57 1 8 LEU QD 1 64 PHE QE 5.600 . 5.600 2.214 1.785 3.073 0.015 19 0 "[ . 1 . 2 . 3]" 1
58 1 8 LEU QD 1 68 MET ME 4.150 . 4.150 2.509 2.116 2.575 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 8 LEU QD 1 68 MET QG 5.030 . 5.030 2.404 1.773 3.171 0.027 16 0 "[ . 1 . 2 . 3]" 1
60 1 8 LEU MD1 1 9 SER H 6.000 . 6.000 4.478 4.098 4.991 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 8 LEU MD2 1 9 SER H 6.000 . 6.000 4.399 4.184 4.791 . 0 0 "[ . 1 . 2 . 3]" 1
62 1 9 SER H 1 10 ASP H 4.810 . 4.810 2.845 2.477 3.168 . 0 0 "[ . 1 . 2 . 3]" 1
63 1 9 SER H 1 11 LEU H 5.800 . 5.800 4.005 3.642 4.685 . 0 0 "[ . 1 . 2 . 3]" 1
64 1 9 SER HA 1 11 LEU H 6.000 . 6.000 4.300 3.624 5.275 . 0 0 "[ . 1 . 2 . 3]" 1
65 1 9 SER HA 1 12 PHE H 5.630 . 5.630 3.923 3.304 4.842 . 0 0 "[ . 1 . 2 . 3]" 1
66 1 9 SER HA 1 12 PHE HB3 5.130 . 5.130 3.754 2.383 4.996 . 0 0 "[ . 1 . 2 . 3]" 1
67 1 9 SER HA 1 61 TYR QE 4.780 . 4.780 2.775 1.875 3.848 . 0 0 "[ . 1 . 2 . 3]" 1
68 1 9 SER QB 1 10 ASP H 4.870 . 4.870 2.793 1.971 3.465 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 9 SER QB 1 61 TYR QE 5.040 . 5.040 3.531 2.715 4.006 . 0 0 "[ . 1 . 2 . 3]" 1
70 1 9 SER HB2 1 10 ASP H 5.710 . 5.710 3.684 3.158 4.297 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 9 SER HB3 1 10 ASP H 5.710 . 5.710 2.990 1.986 4.189 . 0 0 "[ . 1 . 2 . 3]" 1
72 1 10 ASP H 1 11 LEU H 4.430 . 4.430 2.550 2.239 2.825 . 0 0 "[ . 1 . 2 . 3]" 1
73 1 10 ASP HA 1 13 ARG H 5.330 . 5.330 3.698 3.153 4.265 . 0 0 "[ . 1 . 2 . 3]" 1
74 1 10 ASP HA 1 13 ARG QB 5.420 . 5.420 3.476 2.098 4.832 . 0 0 "[ . 1 . 2 . 3]" 1
75 1 10 ASP HA 1 13 ARG QG 5.560 . 5.560 3.416 2.014 4.946 . 0 0 "[ . 1 . 2 . 3]" 1
76 1 10 ASP HA 1 14 MET H 5.610 . 5.610 4.855 4.239 5.599 . 0 0 "[ . 1 . 2 . 3]" 1
77 1 10 ASP QB 1 11 LEU H 4.550 . 4.550 2.900 2.053 3.615 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 10 ASP QB 1 13 ARG QD 5.290 . 5.290 3.826 2.557 4.204 . 0 0 "[ . 1 . 2 . 3]" 1
79 1 10 ASP HB2 1 11 LEU H 5.150 . 5.150 3.241 2.069 3.985 . 0 0 "[ . 1 . 2 . 3]" 1
80 1 10 ASP HB2 1 13 ARG QD 5.870 . 5.870 4.723 2.598 5.252 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 10 ASP HB3 1 11 LEU H 5.150 . 5.150 3.542 2.396 4.189 . 0 0 "[ . 1 . 2 . 3]" 1
82 1 10 ASP HB3 1 13 ARG QD 5.870 . 5.870 4.160 2.982 5.087 . 0 0 "[ . 1 . 2 . 3]" 1
83 1 11 LEU H 1 11 LEU HG 5.670 . 5.670 3.727 2.002 4.501 . 0 0 "[ . 1 . 2 . 3]" 1
84 1 11 LEU H 1 12 PHE H 4.660 . 4.660 2.656 2.219 3.133 . 0 0 "[ . 1 . 2 . 3]" 1
85 1 11 LEU QB 1 12 PHE H 4.710 . 4.710 2.598 1.967 3.568 . 0 0 "[ . 1 . 2 . 3]" 1
86 1 11 LEU QB 1 64 PHE QE 5.720 . 5.720 2.922 2.214 4.509 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 11 LEU QB 1 64 PHE HZ 5.740 . 5.740 3.598 2.293 5.037 . 0 0 "[ . 1 . 2 . 3]" 1
88 1 11 LEU HB2 1 12 PHE H 5.290 . 5.290 3.310 2.171 4.089 . 0 0 "[ . 1 . 2 . 3]" 1
89 1 11 LEU HB3 1 12 PHE H 5.290 . 5.290 2.874 1.978 3.987 . 0 0 "[ . 1 . 2 . 3]" 1
90 1 11 LEU QD 1 12 PHE H 6.000 . 6.000 3.818 2.650 4.293 . 0 0 "[ . 1 . 2 . 3]" 1
91 1 11 LEU QD 1 64 PHE QE 5.470 . 5.470 2.875 1.694 3.534 0.106 7 0 "[ . 1 . 2 . 3]" 1
92 1 11 LEU QD 1 64 PHE HZ 4.670 . 4.670 2.798 1.842 3.464 . 0 0 "[ . 1 . 2 . 3]" 1
93 1 11 LEU QD 1 68 MET ME 4.300 . 4.300 2.380 1.762 2.661 0.038 20 0 "[ . 1 . 2 . 3]" 1
94 1 11 LEU MD1 1 12 PHE H 6.000 . 6.000 4.448 2.717 5.014 . 0 0 "[ . 1 . 2 . 3]" 1
95 1 11 LEU MD2 1 12 PHE H 6.000 . 6.000 4.239 2.891 4.919 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 11 LEU HG 1 64 PHE HZ 6.000 . 6.000 4.638 2.636 5.982 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 12 PHE H 1 12 PHE QD 5.610 . 5.610 4.061 3.781 4.142 . 0 0 "[ . 1 . 2 . 3]" 1
98 1 12 PHE H 1 13 ARG H 4.700 . 4.700 2.788 2.597 3.024 . 0 0 "[ . 1 . 2 . 3]" 1
99 1 12 PHE H 1 64 PHE QE 5.250 . 5.250 3.686 2.507 4.643 . 0 0 "[ . 1 . 2 . 3]" 1
100 1 12 PHE HA 1 14 MET H 6.000 . 6.000 4.196 3.752 4.976 . 0 0 "[ . 1 . 2 . 3]" 1
101 1 12 PHE HA 1 15 PHE H 5.760 . 5.760 3.632 2.912 4.499 . 0 0 "[ . 1 . 2 . 3]" 1
102 1 12 PHE HA 1 15 PHE QD 6.000 . 6.000 3.373 1.945 4.264 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 12 PHE HA 1 23 ILE MD 5.200 . 5.200 3.234 2.423 3.890 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 12 PHE HA 1 64 PHE QE 6.000 . 6.000 3.749 2.805 4.919 . 0 0 "[ . 1 . 2 . 3]" 1
105 1 12 PHE HB2 1 13 ARG H 5.340 . 5.340 3.760 3.468 4.081 . 0 0 "[ . 1 . 2 . 3]" 1
106 1 12 PHE HB2 1 61 TYR QD 5.520 . 5.520 3.503 2.437 4.921 . 0 0 "[ . 1 . 2 . 3]" 1
107 1 12 PHE HB2 1 64 PHE HB2 5.400 . 5.400 4.715 3.723 5.401 0.001 5 0 "[ . 1 . 2 . 3]" 1
108 1 12 PHE HB2 1 64 PHE QD 5.770 . 5.770 3.262 2.072 4.460 . 0 0 "[ . 1 . 2 . 3]" 1
109 1 12 PHE HB3 1 13 ARG H 4.670 . 4.670 2.530 1.967 3.048 . 0 0 "[ . 1 . 2 . 3]" 1
110 1 12 PHE QD 1 13 ARG H 5.480 . 5.480 3.494 2.425 4.429 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 12 PHE QD 1 13 ARG HA 5.450 . 5.450 3.434 2.764 4.457 . 0 0 "[ . 1 . 2 . 3]" 1
112 1 12 PHE QD 1 23 ILE MD 5.050 . 5.050 3.031 2.008 3.742 . 0 0 "[ . 1 . 2 . 3]" 1
113 1 12 PHE QD 1 64 PHE HB2 5.460 . 5.460 2.832 2.115 3.637 . 0 0 "[ . 1 . 2 . 3]" 1
114 1 12 PHE QD 1 64 PHE HB3 4.990 . 4.990 3.409 2.743 4.290 . 0 0 "[ . 1 . 2 . 3]" 1
115 1 12 PHE QD 1 64 PHE QD 5.240 . 5.240 2.899 2.171 3.327 . 0 0 "[ . 1 . 2 . 3]" 1
116 1 12 PHE QE 1 21 GLY HA2 5.140 . 5.140 3.613 2.517 4.339 . 0 0 "[ . 1 . 2 . 3]" 1
117 1 12 PHE QE 1 21 GLY HA3 5.890 . 5.890 4.714 3.778 5.248 . 0 0 "[ . 1 . 2 . 3]" 1
118 1 12 PHE QE 1 22 TYR H 6.000 . 6.000 4.508 3.290 5.343 . 0 0 "[ . 1 . 2 . 3]" 1
119 1 12 PHE QE 1 22 TYR HA 5.280 . 5.280 3.330 2.396 3.963 . 0 0 "[ . 1 . 2 . 3]" 1
120 1 12 PHE QE 1 23 ILE H 5.860 . 5.860 3.990 2.575 4.949 . 0 0 "[ . 1 . 2 . 3]" 1
121 1 12 PHE QE 1 23 ILE MD 5.390 . 5.390 2.782 1.988 3.676 . 0 0 "[ . 1 . 2 . 3]" 1
122 1 12 PHE QE 1 23 ILE QG 5.910 . 5.910 3.186 2.165 4.239 . 0 0 "[ . 1 . 2 . 3]" 1
123 1 12 PHE QE 1 59 ILE MG 5.230 . 5.230 2.841 2.224 3.528 . 0 0 "[ . 1 . 2 . 3]" 1
124 1 12 PHE QE 1 60 ASP HA 6.000 . 6.000 3.739 2.935 5.112 . 0 0 "[ . 1 . 2 . 3]" 1
125 1 12 PHE QE 1 64 PHE HB2 5.220 . 5.220 2.660 1.911 3.535 . 0 0 "[ . 1 . 2 . 3]" 1
126 1 12 PHE QE 1 64 PHE HB3 5.340 . 5.340 4.093 3.305 4.752 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 12 PHE HZ 1 22 TYR HA 4.830 . 4.830 2.505 1.885 3.324 . 0 0 "[ . 1 . 2 . 3]" 1
128 1 12 PHE HZ 1 23 ILE H 5.800 . 5.800 3.347 1.870 4.580 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 12 PHE HZ 1 23 ILE MD 5.700 . 5.700 3.719 2.701 4.628 . 0 0 "[ . 1 . 2 . 3]" 1
130 1 12 PHE HZ 1 23 ILE QG 6.000 . 6.000 3.266 2.238 4.620 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 12 PHE HZ 1 59 ILE MG 5.460 . 5.460 4.023 3.008 4.525 . 0 0 "[ . 1 . 2 . 3]" 1
132 1 13 ARG H 1 13 ARG QG 4.500 . 4.500 2.743 1.864 3.994 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 13 ARG H 1 15 PHE H 5.450 . 5.450 4.305 3.707 5.068 . 0 0 "[ . 1 . 2 . 3]" 1
134 1 13 ARG HA 1 16 ASP H 5.090 . 5.090 4.037 3.347 4.833 . 0 0 "[ . 1 . 2 . 3]" 1
135 1 13 ARG HA 1 16 ASP HB2 5.400 . 5.400 3.846 2.369 5.053 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 13 ARG HA 1 16 ASP QB 4.630 . 4.630 3.268 2.205 4.095 . 0 0 "[ . 1 . 2 . 3]" 1
137 1 13 ARG HA 1 16 ASP HB3 5.400 . 5.400 3.706 2.264 5.098 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 13 ARG QG 1 14 MET H 5.190 . 5.190 3.000 1.848 4.470 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 13 ARG QG 1 14 MET HA 6.000 . 6.000 3.943 3.198 5.282 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 13 ARG HG2 1 14 MET H 6.000 . 6.000 3.463 1.874 5.108 . 0 0 "[ . 1 . 2 . 3]" 1
141 1 13 ARG HG3 1 14 MET H 6.000 . 6.000 3.654 1.867 5.272 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 14 MET H 1 15 PHE H 4.560 . 4.560 2.503 2.229 2.932 . 0 0 "[ . 1 . 2 . 3]" 1
143 1 14 MET QB 1 15 PHE H 5.120 . 5.120 2.605 2.116 3.689 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 15 PHE H 1 16 ASP H 4.260 . 4.260 2.743 2.110 3.186 . 0 0 "[ . 1 . 2 . 3]" 1
145 1 15 PHE H 1 31 MET ME 5.440 . 5.440 4.367 2.971 4.543 . 0 0 "[ . 1 . 2 . 3]" 1
146 1 15 PHE QB 1 23 ILE MD 4.710 . 4.710 2.287 1.706 3.195 0.094 26 0 "[ . 1 . 2 . 3]" 1
147 1 15 PHE QB 1 23 ILE QG 6.000 . 6.000 3.595 2.673 4.271 . 0 0 "[ . 1 . 2 . 3]" 1
148 1 15 PHE QB 1 23 ILE MG 6.000 . 6.000 3.942 3.256 4.452 . 0 0 "[ . 1 . 2 . 3]" 1
149 1 15 PHE QB 1 31 MET ME 4.360 . 4.360 2.503 1.830 3.230 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 15 PHE HB2 1 23 ILE MD 5.320 . 5.320 2.915 1.939 4.186 . 0 0 "[ . 1 . 2 . 3]" 1
151 1 15 PHE HB3 1 23 ILE MD 5.320 . 5.320 2.663 1.715 4.199 0.085 26 0 "[ . 1 . 2 . 3]" 1
152 1 15 PHE QD 1 23 ILE MD 5.330 . 5.330 3.078 1.816 3.957 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 15 PHE QD 1 31 MET ME 4.460 . 4.460 2.380 1.732 2.785 0.068 3 0 "[ . 1 . 2 . 3]" 1
154 1 15 PHE QE 1 31 MET ME 5.370 . 5.370 2.936 2.484 3.525 . 0 0 "[ . 1 . 2 . 3]" 1
155 1 16 ASP H 1 23 ILE MD 5.540 . 5.540 3.452 2.476 4.322 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 16 ASP H 1 23 ILE QG 5.730 . 5.730 3.715 2.918 4.388 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 16 ASP HA 1 17 LYS H 4.140 . 4.140 2.402 2.224 2.705 . 0 0 "[ . 1 . 2 . 3]" 1
158 1 16 ASP HA 1 18 ASN H 5.450 . 5.450 3.406 3.071 4.237 . 0 0 "[ . 1 . 2 . 3]" 1
159 1 16 ASP HA 1 23 ILE QG 5.880 . 5.880 2.457 1.883 3.548 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 16 ASP QB 1 18 ASN H 6.000 . 6.000 4.281 3.720 4.932 . 0 0 "[ . 1 . 2 . 3]" 1
161 1 16 ASP QB 1 23 ILE MD 5.320 . 5.320 3.361 2.321 3.953 . 0 0 "[ . 1 . 2 . 3]" 1
162 1 17 LYS H 1 18 ASN H 4.690 . 4.690 2.662 2.357 3.025 . 0 0 "[ . 1 . 2 . 3]" 1
163 1 17 LYS H 1 18 ASN QB 5.830 . 5.830 4.332 4.015 4.758 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 17 LYS H 1 27 GLU HB3 4.910 . 4.910 3.123 1.938 4.123 . 0 0 "[ . 1 . 2 . 3]" 1
165 1 17 LYS H 1 27 GLU QG 6.000 . 6.000 4.381 3.035 5.364 . 0 0 "[ . 1 . 2 . 3]" 1
166 1 17 LYS QB 1 18 ASN H 5.070 . 5.070 2.864 2.058 3.726 . 0 0 "[ . 1 . 2 . 3]" 1
167 1 17 LYS QB 1 27 GLU HB3 5.520 . 5.520 3.368 1.982 4.876 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 17 LYS HB2 1 18 ASN H 5.660 . 5.660 3.643 2.822 4.222 . 0 0 "[ . 1 . 2 . 3]" 1
169 1 17 LYS HB2 1 27 GLU HB3 6.000 . 6.000 3.910 2.218 5.990 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 17 LYS HB3 1 18 ASN H 5.660 . 5.660 3.084 2.072 4.176 . 0 0 "[ . 1 . 2 . 3]" 1
171 1 17 LYS HB3 1 27 GLU HB3 6.000 . 6.000 4.000 2.059 5.804 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 17 LYS QD 1 30 ILE MG 4.790 . 4.790 2.243 1.691 3.441 0.109 20 0 "[ . 1 . 2 . 3]" 1
173 1 17 LYS QE 1 30 ILE MG 5.290 . 5.290 3.227 1.949 3.890 . 0 0 "[ . 1 . 2 . 3]" 1
174 1 17 LYS QG 1 18 ASN H 6.000 . 6.000 4.137 2.273 4.707 . 0 0 "[ . 1 . 2 . 3]" 1
175 1 17 LYS QG 1 30 ILE MG 5.720 . 5.720 3.133 1.810 4.177 . 0 0 "[ . 1 . 2 . 3]" 1
176 1 17 LYS HG2 1 30 ILE MG 6.000 . 6.000 3.788 1.918 4.997 . 0 0 "[ . 1 . 2 . 3]" 1
177 1 17 LYS HG3 1 30 ILE MG 6.000 . 6.000 3.652 1.822 4.930 . 0 0 "[ . 1 . 2 . 3]" 1
178 1 17 LYS QZ 1 30 ILE MG 5.150 . 5.150 2.685 1.668 3.508 0.132 8 0 "[ . 1 . 2 . 3]" 1
179 1 18 ASN H 1 27 GLU HB3 6.000 . 6.000 3.621 3.159 4.256 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 18 ASN HA 1 19 ALA MB 5.670 . 5.670 3.774 3.634 3.900 . 0 0 "[ . 1 . 2 . 3]" 1
181 1 18 ASN HA 1 27 GLU HB3 6.000 . 6.000 5.961 5.679 6.033 0.033 9 0 "[ . 1 . 2 . 3]" 1
182 1 18 ASN HA 1 27 GLU QG 6.000 . 6.000 4.680 3.814 5.342 . 0 0 "[ . 1 . 2 . 3]" 1
183 1 18 ASN QB 1 20 ASP H 5.450 . 5.450 4.026 2.795 4.844 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 18 ASN QB 1 24 ASP H 6.000 . 6.000 4.572 4.063 5.233 . 0 0 "[ . 1 . 2 . 3]" 1
185 1 18 ASN QB 1 27 GLU HA 6.000 . 6.000 5.004 4.346 5.360 . 0 0 "[ . 1 . 2 . 3]" 1
186 1 18 ASN QB 1 27 GLU HB2 6.000 . 6.000 4.599 4.035 5.297 . 0 0 "[ . 1 . 2 . 3]" 1
187 1 18 ASN QB 1 27 GLU HB3 4.830 . 4.830 3.941 3.421 4.315 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 18 ASN QB 1 27 GLU QG 4.670 . 4.670 2.744 2.032 3.452 . 0 0 "[ . 1 . 2 . 3]" 1
189 1 19 ALA H 1 20 ASP H 4.780 . 4.780 3.262 2.766 3.698 . 0 0 "[ . 1 . 2 . 3]" 1
190 1 19 ALA MB 1 20 ASP H 5.430 . 5.430 3.684 3.544 3.738 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 19 ALA MB 1 20 ASP HA 6.000 . 6.000 4.172 4.094 4.258 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 20 ASP H 1 21 GLY H 4.300 . 4.300 1.890 1.842 2.103 . 0 0 "[ . 1 . 2 . 3]" 1
193 1 20 ASP H 1 21 GLY HA2 6.000 . 6.000 4.190 3.853 4.534 . 0 0 "[ . 1 . 2 . 3]" 1
194 1 20 ASP H 1 21 GLY HA3 6.000 . 6.000 4.566 4.303 4.848 . 0 0 "[ . 1 . 2 . 3]" 1
195 1 20 ASP H 1 22 TYR H 5.000 . 5.000 3.321 2.649 4.073 . 0 0 "[ . 1 . 2 . 3]" 1
196 1 20 ASP H 1 22 TYR QD 6.000 . 6.000 5.186 4.735 5.357 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 20 ASP HA 1 21 GLY HA3 5.580 . 5.580 4.517 4.459 4.567 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 20 ASP QB 1 22 TYR QD 5.510 . 5.510 3.698 2.728 4.384 . 0 0 "[ . 1 . 2 . 3]" 1
199 1 21 GLY H 1 22 TYR H 4.370 . 4.370 2.444 1.956 2.924 . 0 0 "[ . 1 . 2 . 3]" 1
200 1 22 TYR H 1 22 TYR QD 4.950 . 4.950 2.661 2.021 3.279 . 0 0 "[ . 1 . 2 . 3]" 1
201 1 22 TYR H 1 22 TYR QE 6.000 . 6.000 4.663 4.234 5.138 . 0 0 "[ . 1 . 2 . 3]" 1
202 1 22 TYR HA 1 22 TYR QE 6.000 . 6.000 4.640 4.494 4.801 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 22 TYR HA 1 23 ILE H 4.350 . 4.350 2.424 2.212 2.633 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 22 TYR QB 1 23 ILE H 4.850 . 4.850 2.683 2.222 3.381 . 0 0 "[ . 1 . 2 . 3]" 1
205 1 22 TYR QB 1 58 ARG HA 6.000 . 6.000 3.789 3.106 4.598 . 0 0 "[ . 1 . 2 . 3]" 1
206 1 22 TYR QB 1 58 ARG QB 4.700 . 4.700 3.037 1.798 3.722 0.002 29 0 "[ . 1 . 2 . 3]" 1
207 1 22 TYR QB 1 58 ARG QD 5.820 . 5.820 3.495 1.935 4.604 . 0 0 "[ . 1 . 2 . 3]" 1
208 1 22 TYR QB 1 59 ILE H 5.620 . 5.620 3.217 2.291 4.089 . 0 0 "[ . 1 . 2 . 3]" 1
209 1 22 TYR QD 1 23 ILE H 5.830 . 5.830 4.085 3.494 4.604 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 22 TYR QD 1 58 ARG QB 5.110 . 5.110 3.372 2.543 4.023 . 0 0 "[ . 1 . 2 . 3]" 1
211 1 22 TYR QD 1 60 ASP HA 5.280 . 5.280 2.745 1.973 4.114 . 0 0 "[ . 1 . 2 . 3]" 1
212 1 22 TYR QD 1 60 ASP QB 4.980 . 4.980 3.274 2.214 3.752 . 0 0 "[ . 1 . 2 . 3]" 1
213 1 22 TYR QE 1 60 ASP HA 6.000 . 6.000 3.770 3.061 5.017 . 0 0 "[ . 1 . 2 . 3]" 1
214 1 22 TYR QE 1 60 ASP HB2 5.750 . 5.750 3.868 2.420 5.064 . 0 0 "[ . 1 . 2 . 3]" 1
215 1 22 TYR QE 1 60 ASP QB 4.950 . 4.950 3.200 2.237 3.930 . 0 0 "[ . 1 . 2 . 3]" 1
216 1 22 TYR QE 1 60 ASP HB3 5.750 . 5.750 3.777 2.408 5.135 . 0 0 "[ . 1 . 2 . 3]" 1
217 1 23 ILE H 1 59 ILE H 5.000 . 5.000 2.777 2.085 3.789 . 0 0 "[ . 1 . 2 . 3]" 1
218 1 23 ILE H 1 59 ILE HB 5.340 . 5.340 2.765 2.142 3.343 . 0 0 "[ . 1 . 2 . 3]" 1
219 1 23 ILE H 1 59 ILE MG 5.880 . 5.880 3.957 3.246 4.587 . 0 0 "[ . 1 . 2 . 3]" 1
220 1 23 ILE HA 1 24 ASP H 4.120 . 4.120 2.239 2.214 2.305 . 0 0 "[ . 1 . 2 . 3]" 1
221 1 23 ILE HB 1 59 ILE HB 4.710 . 4.710 2.063 1.845 2.689 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 23 ILE HB 1 59 ILE MD 6.000 . 6.000 2.957 2.007 3.494 . 0 0 "[ . 1 . 2 . 3]" 1
223 1 23 ILE HB 1 59 ILE QG 5.730 . 5.730 3.749 2.995 4.179 . 0 0 "[ . 1 . 2 . 3]" 1
224 1 23 ILE HB 1 59 ILE MG 5.740 . 5.740 3.006 2.438 3.673 . 0 0 "[ . 1 . 2 . 3]" 1
225 1 23 ILE MD 1 31 MET ME 5.250 . 5.250 3.359 1.926 3.656 . 0 0 "[ . 1 . 2 . 3]" 1
226 1 23 ILE MD 1 59 ILE MD 5.280 . 5.280 3.529 2.925 3.679 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 23 ILE MD 1 64 PHE QD 6.000 . 6.000 3.480 2.430 4.331 . 0 0 "[ . 1 . 2 . 3]" 1
228 1 23 ILE MG 1 24 ASP H 4.730 . 4.730 2.629 2.024 3.294 . 0 0 "[ . 1 . 2 . 3]" 1
229 1 23 ILE MG 1 27 GLU H 5.560 . 5.560 4.034 3.606 4.426 . 0 0 "[ . 1 . 2 . 3]" 1
230 1 23 ILE MG 1 27 GLU HB2 5.600 . 5.600 2.323 1.859 2.712 . 0 0 "[ . 1 . 2 . 3]" 1
231 1 23 ILE MG 1 27 GLU HB3 4.520 . 4.520 3.225 2.687 3.588 . 0 0 "[ . 1 . 2 . 3]" 1
232 1 23 ILE MG 1 28 LEU H 5.070 . 5.070 3.263 2.750 3.692 . 0 0 "[ . 1 . 2 . 3]" 1
233 1 23 ILE MG 1 28 LEU HA 4.810 . 4.810 3.126 2.448 3.678 . 0 0 "[ . 1 . 2 . 3]" 1
234 1 23 ILE MG 1 28 LEU HG 4.290 . 4.290 1.935 1.763 2.356 0.037 16 0 "[ . 1 . 2 . 3]" 1
235 1 23 ILE MG 1 59 ILE MG 5.440 . 5.440 3.511 2.951 3.779 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 24 ASP H 1 26 ASP QB 6.000 . 6.000 5.134 4.681 5.358 . 0 0 "[ . 1 . 2 . 3]" 1
237 1 24 ASP H 1 27 GLU H 5.500 . 5.500 3.513 3.000 3.971 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 24 ASP H 1 27 GLU HB2 4.490 . 4.490 2.338 1.890 3.287 . 0 0 "[ . 1 . 2 . 3]" 1
239 1 24 ASP H 1 27 GLU HB3 5.370 . 5.370 3.667 3.108 4.143 . 0 0 "[ . 1 . 2 . 3]" 1
240 1 24 ASP H 1 27 GLU QG 5.030 . 5.030 2.999 2.026 4.048 . 0 0 "[ . 1 . 2 . 3]" 1
241 1 24 ASP HA 1 25 LEU H 4.480 . 4.480 2.573 2.318 2.829 . 0 0 "[ . 1 . 2 . 3]" 1
242 1 24 ASP HA 1 48 MET ME 4.220 . 4.220 3.192 2.466 3.522 . 0 0 "[ . 1 . 2 . 3]" 1
243 1 24 ASP QB 1 25 LEU H 4.050 . 4.050 2.578 2.074 3.529 . 0 0 "[ . 1 . 2 . 3]" 1
244 1 24 ASP HB2 1 25 LEU H 4.900 . 4.900 3.645 2.086 4.263 . 0 0 "[ . 1 . 2 . 3]" 1
245 1 24 ASP HB2 1 26 ASP H 5.570 . 5.570 3.860 2.910 4.976 . 0 0 "[ . 1 . 2 . 3]" 1
246 1 24 ASP HB3 1 25 LEU H 4.900 . 4.900 2.788 2.106 3.840 . 0 0 "[ . 1 . 2 . 3]" 1
247 1 24 ASP HB3 1 26 ASP H 5.570 . 5.570 2.897 2.139 4.712 . 0 0 "[ . 1 . 2 . 3]" 1
248 1 25 LEU H 1 25 LEU MD1 5.310 . 5.310 2.786 1.897 3.773 . 0 0 "[ . 1 . 2 . 3]" 1
249 1 25 LEU H 1 25 LEU HG 4.580 . 4.580 2.757 2.179 3.317 . 0 0 "[ . 1 . 2 . 3]" 1
250 1 25 LEU H 1 26 ASP H 4.430 . 4.430 2.680 2.474 3.122 . 0 0 "[ . 1 . 2 . 3]" 1
251 1 25 LEU H 1 48 MET ME 4.370 . 4.370 3.212 2.424 3.644 . 0 0 "[ . 1 . 2 . 3]" 1
252 1 25 LEU HA 1 25 LEU MD2 4.550 . 4.550 2.677 1.986 3.379 . 0 0 "[ . 1 . 2 . 3]" 1
253 1 25 LEU HA 1 28 LEU H 5.200 . 5.200 3.565 3.128 4.086 . 0 0 "[ . 1 . 2 . 3]" 1
254 1 25 LEU HA 1 28 LEU HB2 4.710 . 4.710 2.855 2.296 3.498 . 0 0 "[ . 1 . 2 . 3]" 1
255 1 25 LEU HA 1 28 LEU MD1 5.300 . 5.300 2.016 1.729 2.468 0.071 13 0 "[ . 1 . 2 . 3]" 1
256 1 25 LEU HA 1 29 LYS H 6.000 . 6.000 4.807 4.242 5.678 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 25 LEU HA 1 48 MET ME 4.510 . 4.510 3.140 2.755 3.604 . 0 0 "[ . 1 . 2 . 3]" 1
258 1 25 LEU QB 1 26 ASP H 4.530 . 4.530 2.667 2.052 3.134 . 0 0 "[ . 1 . 2 . 3]" 1
259 1 25 LEU QB 1 28 LEU HB2 5.720 . 5.720 4.502 4.153 5.011 . 0 0 "[ . 1 . 2 . 3]" 1
260 1 25 LEU QB 1 48 MET ME 5.270 . 5.270 3.829 3.482 3.917 . 0 0 "[ . 1 . 2 . 3]" 1
261 1 25 LEU MD1 1 26 ASP H 5.780 . 5.780 4.253 3.498 4.831 . 0 0 "[ . 1 . 2 . 3]" 1
262 1 25 LEU MD2 1 26 ASP H 6.000 . 6.000 4.797 4.369 5.026 . 0 0 "[ . 1 . 2 . 3]" 1
263 1 25 LEU MD2 1 45 GLU H 5.620 . 5.620 4.358 3.178 4.682 . 0 0 "[ . 1 . 2 . 3]" 1
264 1 25 LEU MD2 1 45 GLU HA 4.550 . 4.550 2.557 1.832 3.490 . 0 0 "[ . 1 . 2 . 3]" 1
265 1 25 LEU MD2 1 45 GLU HG2 5.400 . 5.400 2.725 1.816 4.350 . 0 0 "[ . 1 . 2 . 3]" 1
266 1 25 LEU MD2 1 45 GLU QG 4.850 . 4.850 2.543 1.783 3.617 0.017 22 0 "[ . 1 . 2 . 3]" 1
267 1 25 LEU MD2 1 45 GLU HG3 5.400 . 5.400 3.470 2.255 4.496 . 0 0 "[ . 1 . 2 . 3]" 1
268 1 25 LEU MD2 1 48 MET QB 5.510 . 5.510 2.289 1.747 3.085 0.053 10 0 "[ . 1 . 2 . 3]" 1
269 1 25 LEU MD2 1 48 MET ME 4.620 . 4.620 3.078 2.675 3.211 . 0 0 "[ . 1 . 2 . 3]" 1
270 1 25 LEU MD2 1 48 MET HG2 5.490 . 5.490 2.952 1.733 4.137 0.067 9 0 "[ . 1 . 2 . 3]" 1
271 1 25 LEU MD2 1 48 MET QG 4.930 . 4.930 2.307 1.685 3.519 0.115 20 0 "[ . 1 . 2 . 3]" 1
272 1 25 LEU MD2 1 48 MET HG3 5.490 . 5.490 2.814 1.813 4.173 . 0 0 "[ . 1 . 2 . 3]" 1
273 1 25 LEU HG 1 26 ASP H 5.720 . 5.720 4.665 4.337 4.885 . 0 0 "[ . 1 . 2 . 3]" 1
274 1 25 LEU HG 1 28 LEU MD1 6.000 . 6.000 3.036 2.228 3.666 . 0 0 "[ . 1 . 2 . 3]" 1
275 1 25 LEU HG 1 48 MET ME 3.480 . 3.480 2.079 1.842 2.553 . 0 0 "[ . 1 . 2 . 3]" 1
276 1 26 ASP H 1 27 GLU H 4.390 . 4.390 2.610 2.260 2.979 . 0 0 "[ . 1 . 2 . 3]" 1
277 1 26 ASP H 1 28 LEU H 5.570 . 5.570 4.039 3.647 4.518 . 0 0 "[ . 1 . 2 . 3]" 1
278 1 26 ASP HA 1 27 GLU HA 5.870 . 5.870 4.774 4.665 4.949 . 0 0 "[ . 1 . 2 . 3]" 1
279 1 26 ASP HA 1 28 LEU H 5.480 . 5.480 4.237 3.708 4.827 . 0 0 "[ . 1 . 2 . 3]" 1
280 1 26 ASP HA 1 29 LYS H 5.230 . 5.230 3.897 3.290 4.473 . 0 0 "[ . 1 . 2 . 3]" 1
281 1 26 ASP HA 1 29 LYS QB 5.320 . 5.320 3.893 2.510 4.753 . 0 0 "[ . 1 . 2 . 3]" 1
282 1 26 ASP HA 1 29 LYS QD 5.130 . 5.130 3.412 2.110 4.561 . 0 0 "[ . 1 . 2 . 3]" 1
283 1 26 ASP HA 1 29 LYS QG 5.330 . 5.330 3.613 2.245 4.773 . 0 0 "[ . 1 . 2 . 3]" 1
284 1 26 ASP QB 1 27 GLU H 4.120 . 4.120 2.697 2.265 3.095 . 0 0 "[ . 1 . 2 . 3]" 1
285 1 26 ASP QB 1 27 GLU HA 4.970 . 4.970 3.987 3.741 4.275 . 0 0 "[ . 1 . 2 . 3]" 1
286 1 26 ASP QB 1 27 GLU HB2 6.000 . 6.000 4.697 4.285 5.043 . 0 0 "[ . 1 . 2 . 3]" 1
287 1 26 ASP QB 1 27 GLU QG 4.720 . 4.720 2.925 2.561 3.297 . 0 0 "[ . 1 . 2 . 3]" 1
288 1 27 GLU H 1 27 GLU HB2 4.380 . 4.380 2.468 2.223 2.674 . 0 0 "[ . 1 . 2 . 3]" 1
289 1 27 GLU H 1 27 GLU HG2 5.250 . 5.250 3.279 2.379 4.208 . 0 0 "[ . 1 . 2 . 3]" 1
290 1 27 GLU H 1 27 GLU QG 4.560 . 4.560 2.049 1.832 3.034 . 0 0 "[ . 1 . 2 . 3]" 1
291 1 27 GLU H 1 27 GLU HG3 5.250 . 5.250 2.076 1.846 3.111 . 0 0 "[ . 1 . 2 . 3]" 1
292 1 27 GLU H 1 28 LEU H 4.700 . 4.700 2.512 2.197 2.979 . 0 0 "[ . 1 . 2 . 3]" 1
293 1 27 GLU H 1 28 LEU HG 5.880 . 5.880 4.245 3.651 5.200 . 0 0 "[ . 1 . 2 . 3]" 1
294 1 27 GLU H 1 30 ILE MD 6.000 . 6.000 4.307 3.373 4.892 . 0 0 "[ . 1 . 2 . 3]" 1
295 1 27 GLU HA 1 30 ILE H 5.430 . 5.430 3.464 2.949 4.140 . 0 0 "[ . 1 . 2 . 3]" 1
296 1 27 GLU HA 1 30 ILE HB 4.550 . 4.550 2.779 1.977 3.772 . 0 0 "[ . 1 . 2 . 3]" 1
297 1 27 GLU HA 1 30 ILE MD 5.010 . 5.010 2.600 1.826 3.354 . 0 0 "[ . 1 . 2 . 3]" 1
298 1 27 GLU HB2 1 28 LEU H 5.090 . 5.090 2.855 2.337 3.311 . 0 0 "[ . 1 . 2 . 3]" 1
299 1 27 GLU QG 1 30 ILE MD 6.000 . 6.000 3.627 2.913 4.430 . 0 0 "[ . 1 . 2 . 3]" 1
300 1 28 LEU H 1 28 LEU MD1 5.520 . 5.520 3.276 2.546 3.769 . 0 0 "[ . 1 . 2 . 3]" 1
301 1 28 LEU H 1 28 LEU HG 4.610 . 4.610 2.386 1.858 2.880 . 0 0 "[ . 1 . 2 . 3]" 1
302 1 28 LEU H 1 29 LYS H 4.890 . 4.890 2.679 2.341 2.968 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 28 LEU HA 1 28 LEU MD2 4.380 . 4.380 2.178 1.823 2.674 . 0 0 "[ . 1 . 2 . 3]" 1
304 1 28 LEU HA 1 29 LYS HA 5.850 . 5.850 4.775 4.678 4.947 . 0 0 "[ . 1 . 2 . 3]" 1
305 1 28 LEU HB2 1 29 LYS H 4.370 . 4.370 2.744 2.205 3.239 . 0 0 "[ . 1 . 2 . 3]" 1
306 1 28 LEU HB3 1 29 LYS H 5.810 . 5.810 3.545 2.664 4.110 . 0 0 "[ . 1 . 2 . 3]" 1
307 1 28 LEU MD1 1 29 LYS H 6.000 . 6.000 4.433 3.900 4.773 . 0 0 "[ . 1 . 2 . 3]" 1
308 1 28 LEU MD1 1 48 MET H 5.110 . 5.110 4.039 3.413 4.271 . 0 0 "[ . 1 . 2 . 3]" 1
309 1 28 LEU MD1 1 48 MET HA 5.310 . 5.310 2.956 2.446 3.442 . 0 0 "[ . 1 . 2 . 3]" 1
310 1 28 LEU MD1 1 48 MET QB 5.280 . 5.280 3.160 2.454 3.930 . 0 0 "[ . 1 . 2 . 3]" 1
311 1 28 LEU MD1 1 48 MET ME 4.740 . 4.740 2.223 1.711 2.738 0.089 20 0 "[ . 1 . 2 . 3]" 1
312 1 28 LEU MD1 1 59 ILE MD 4.080 . 4.080 1.744 1.562 2.046 0.238 27 0 "[ . 1 . 2 . 3]" 1
313 1 28 LEU MD2 1 51 GLY QA 6.000 . 6.000 4.234 3.731 4.451 . 0 0 "[ . 1 . 2 . 3]" 1
314 1 28 LEU MD2 1 59 ILE MD 4.300 . 4.300 2.116 1.778 2.599 0.022 20 0 "[ . 1 . 2 . 3]" 1
315 1 28 LEU MD2 1 59 ILE MG 4.880 . 4.880 3.371 3.222 3.421 . 0 0 "[ . 1 . 2 . 3]" 1
316 1 29 LYS H 1 29 LYS QD 5.250 . 5.250 3.831 2.319 4.447 . 0 0 "[ . 1 . 2 . 3]" 1
317 1 29 LYS H 1 29 LYS QG 4.390 . 4.390 2.677 1.830 3.961 . 0 0 "[ . 1 . 2 . 3]" 1
318 1 29 LYS H 1 30 ILE H 4.650 . 4.650 2.559 2.285 3.189 . 0 0 "[ . 1 . 2 . 3]" 1
319 1 29 LYS H 1 44 ILE MG 4.960 . 4.960 3.680 2.904 4.139 . 0 0 "[ . 1 . 2 . 3]" 1
320 1 29 LYS HA 1 32 LEU H 5.530 . 5.530 3.913 3.384 4.398 . 0 0 "[ . 1 . 2 . 3]" 1
321 1 29 LYS HA 1 32 LEU HB2 5.910 . 5.910 3.524 2.486 4.384 . 0 0 "[ . 1 . 2 . 3]" 1
322 1 29 LYS HA 1 32 LEU HB3 5.910 . 5.910 4.732 3.458 5.625 . 0 0 "[ . 1 . 2 . 3]" 1
323 1 29 LYS HA 1 44 ILE HA 5.860 . 5.860 5.143 4.357 5.776 . 0 0 "[ . 1 . 2 . 3]" 1
324 1 29 LYS HA 1 44 ILE MD 4.730 . 4.730 3.111 2.396 3.826 . 0 0 "[ . 1 . 2 . 3]" 1
325 1 29 LYS HA 1 44 ILE MG 4.800 . 4.800 3.647 2.061 4.007 . 0 0 "[ . 1 . 2 . 3]" 1
326 1 29 LYS QB 1 44 ILE MD 4.570 . 4.570 2.332 1.727 3.386 0.073 22 0 "[ . 1 . 2 . 3]" 1
327 1 29 LYS QB 1 44 ILE MG 5.520 . 5.520 2.265 1.741 3.252 0.059 27 0 "[ . 1 . 2 . 3]" 1
328 1 29 LYS QD 1 30 ILE MD 5.620 . 5.620 3.720 2.080 4.176 . 0 0 "[ . 1 . 2 . 3]" 1
329 1 29 LYS QE 1 30 ILE MD 5.380 . 5.380 3.382 2.316 3.998 . 0 0 "[ . 1 . 2 . 3]" 1
330 1 29 LYS QG 1 30 ILE H 5.170 . 5.170 2.583 1.854 4.092 . 0 0 "[ . 1 . 2 . 3]" 1
331 1 29 LYS QG 1 30 ILE HA 5.800 . 5.800 3.531 2.966 4.501 . 0 0 "[ . 1 . 2 . 3]" 1
332 1 29 LYS QG 1 44 ILE MD 5.350 . 5.350 3.288 1.843 3.974 . 0 0 "[ . 1 . 2 . 3]" 1
333 1 29 LYS HG2 1 30 ILE HA 6.000 . 6.000 4.429 3.015 5.735 . 0 0 "[ . 1 . 2 . 3]" 1
334 1 29 LYS HG3 1 30 ILE HA 6.000 . 6.000 4.115 3.113 5.974 . 0 0 "[ . 1 . 2 . 3]" 1
335 1 30 ILE H 1 30 ILE HB 4.180 . 4.180 2.290 2.140 2.586 . 0 0 "[ . 1 . 2 . 3]" 1
336 1 30 ILE H 1 30 ILE MD 5.510 . 5.510 3.127 1.847 3.779 . 0 0 "[ . 1 . 2 . 3]" 1
337 1 30 ILE H 1 30 ILE QG 4.440 . 4.440 2.502 2.014 3.350 . 0 0 "[ . 1 . 2 . 3]" 1
338 1 30 ILE H 1 31 MET H 4.560 . 4.560 2.450 2.268 2.815 . 0 0 "[ . 1 . 2 . 3]" 1
339 1 30 ILE HA 1 31 MET HA 6.000 . 6.000 4.854 4.706 4.959 . 0 0 "[ . 1 . 2 . 3]" 1
340 1 30 ILE HA 1 32 LEU H 6.000 . 6.000 4.102 3.642 4.901 . 0 0 "[ . 1 . 2 . 3]" 1
341 1 30 ILE HA 1 33 GLN H 5.700 . 5.700 3.355 2.923 3.867 . 0 0 "[ . 1 . 2 . 3]" 1
342 1 30 ILE HA 1 33 GLN HG2 6.000 . 6.000 4.262 2.314 5.519 . 0 0 "[ . 1 . 2 . 3]" 1
343 1 30 ILE HA 1 33 GLN QG 5.340 . 5.340 3.050 1.870 4.749 . 0 0 "[ . 1 . 2 . 3]" 1
344 1 30 ILE HA 1 33 GLN HG3 6.000 . 6.000 3.208 1.877 5.179 . 0 0 "[ . 1 . 2 . 3]" 1
345 1 30 ILE HA 1 37 GLU QG 5.230 . 5.230 4.385 3.113 4.698 . 0 0 "[ . 1 . 2 . 3]" 1
346 1 30 ILE HB 1 31 MET H 4.520 . 4.520 2.813 2.255 3.129 . 0 0 "[ . 1 . 2 . 3]" 1
347 1 30 ILE HB 1 31 MET HA 5.670 . 5.670 4.469 4.218 4.746 . 0 0 "[ . 1 . 2 . 3]" 1
348 1 30 ILE MG 1 31 MET H 5.190 . 5.190 3.470 2.743 3.830 . 0 0 "[ . 1 . 2 . 3]" 1
349 1 31 MET H 1 32 LEU H 4.670 . 4.670 2.663 2.306 2.918 . 0 0 "[ . 1 . 2 . 3]" 1
350 1 31 MET QB 1 32 LEU H 4.740 . 4.740 2.957 2.173 3.611 . 0 0 "[ . 1 . 2 . 3]" 1
351 1 31 MET QB 1 32 LEU QD 5.940 . 5.940 3.286 2.127 3.931 . 0 0 "[ . 1 . 2 . 3]" 1
352 1 32 LEU H 1 32 LEU QD 4.890 . 4.890 2.727 2.039 3.231 . 0 0 "[ . 1 . 2 . 3]" 1
353 1 32 LEU H 1 32 LEU HG 4.990 . 4.990 3.747 2.109 4.448 . 0 0 "[ . 1 . 2 . 3]" 1
354 1 32 LEU H 1 33 GLN H 4.720 . 4.720 2.430 2.297 2.665 . 0 0 "[ . 1 . 2 . 3]" 1
355 1 32 LEU H 1 37 GLU QG 6.000 . 6.000 3.998 2.851 5.259 . 0 0 "[ . 1 . 2 . 3]" 1
356 1 32 LEU HA 1 35 THR H 5.960 . 5.960 3.748 3.038 4.366 . 0 0 "[ . 1 . 2 . 3]" 1
357 1 32 LEU HA 1 35 THR MG 5.440 . 5.440 3.648 2.155 4.546 . 0 0 "[ . 1 . 2 . 3]" 1
358 1 32 LEU QB 1 33 GLN H 5.200 . 5.200 3.059 2.871 3.217 . 0 0 "[ . 1 . 2 . 3]" 1
359 1 32 LEU QB 1 37 GLU H 5.240 . 5.240 3.744 2.691 4.533 . 0 0 "[ . 1 . 2 . 3]" 1
360 1 32 LEU QB 1 37 GLU QB 3.910 . 3.910 2.233 1.768 3.116 0.032 6 0 "[ . 1 . 2 . 3]" 1
361 1 32 LEU QB 1 37 GLU QG 5.250 . 5.250 2.574 1.795 4.117 0.005 12 0 "[ . 1 . 2 . 3]" 1
362 1 33 GLN H 1 33 GLN HG2 5.630 . 5.630 3.813 2.111 4.587 . 0 0 "[ . 1 . 2 . 3]" 1
363 1 33 GLN H 1 33 GLN QG 4.790 . 4.790 3.167 1.896 3.949 . 0 0 "[ . 1 . 2 . 3]" 1
364 1 33 GLN H 1 33 GLN HG3 5.630 . 5.630 3.479 2.146 4.428 . 0 0 "[ . 1 . 2 . 3]" 1
365 1 33 GLN H 1 34 ALA H 4.430 . 4.430 2.878 2.716 3.164 . 0 0 "[ . 1 . 2 . 3]" 1
366 1 33 GLN H 1 36 GLY H 5.890 . 5.890 5.232 4.870 5.716 . 0 0 "[ . 1 . 2 . 3]" 1
367 1 33 GLN H 1 37 GLU QG 4.610 . 4.610 2.980 2.224 4.000 . 0 0 "[ . 1 . 2 . 3]" 1
368 1 33 GLN HA 1 36 GLY H 5.210 . 5.210 3.209 2.598 4.091 . 0 0 "[ . 1 . 2 . 3]" 1
369 1 33 GLN HA 1 37 GLU H 5.680 . 5.680 2.886 1.834 4.190 . 0 0 "[ . 1 . 2 . 3]" 1
370 1 33 GLN HA 1 37 GLU HA 6.000 . 6.000 4.737 3.923 5.521 . 0 0 "[ . 1 . 2 . 3]" 1
371 1 33 GLN HA 1 37 GLU QB 5.880 . 5.880 3.007 1.794 4.136 0.006 13 0 "[ . 1 . 2 . 3]" 1
372 1 33 GLN QG 1 37 GLU QG 3.940 . 3.940 2.813 2.066 3.172 . 0 0 "[ . 1 . 2 . 3]" 1
373 1 34 ALA H 1 35 THR H 4.090 . 4.090 2.751 2.360 3.029 . 0 0 "[ . 1 . 2 . 3]" 1
374 1 34 ALA MB 1 35 THR H 5.070 . 5.070 2.854 2.420 3.209 . 0 0 "[ . 1 . 2 . 3]" 1
375 1 35 THR H 1 35 THR MG 4.760 . 4.760 2.532 1.840 3.833 . 0 0 "[ . 1 . 2 . 3]" 1
376 1 35 THR H 1 36 GLY H 4.450 . 4.450 2.365 2.008 2.758 . 0 0 "[ . 1 . 2 . 3]" 1
377 1 36 GLY QA 1 37 GLU HA 6.000 . 6.000 4.361 4.138 4.611 . 0 0 "[ . 1 . 2 . 3]" 1
378 1 36 GLY QA 1 38 THR H 4.870 . 4.870 4.123 3.491 4.367 . 0 0 "[ . 1 . 2 . 3]" 1
379 1 36 GLY QA 1 38 THR MG 5.090 . 5.090 3.297 2.289 3.781 . 0 0 "[ . 1 . 2 . 3]" 1
380 1 37 GLU H 1 38 THR H 5.730 . 5.730 3.832 2.680 4.245 . 0 0 "[ . 1 . 2 . 3]" 1
381 1 37 GLU HA 1 38 THR H 4.320 . 4.320 2.479 2.315 2.969 . 0 0 "[ . 1 . 2 . 3]" 1
382 1 38 THR H 1 39 ILE H 5.290 . 5.290 4.029 3.969 4.211 . 0 0 "[ . 1 . 2 . 3]" 1
383 1 38 THR H 1 39 ILE HB 6.000 . 6.000 5.649 4.299 6.071 0.071 9 0 "[ . 1 . 2 . 3]" 1
384 1 38 THR H 1 39 ILE MG 5.440 . 5.440 3.473 3.017 4.547 . 0 0 "[ . 1 . 2 . 3]" 1
385 1 38 THR HA 1 39 ILE H 4.570 . 4.570 2.312 2.304 2.321 . 0 0 "[ . 1 . 2 . 3]" 1
386 1 38 THR MG 1 39 ILE H 5.590 . 5.590 4.174 4.009 4.340 . 0 0 "[ . 1 . 2 . 3]" 1
387 1 39 ILE H 1 40 THR H 5.940 . 5.940 4.470 4.455 4.480 . 0 0 "[ . 1 . 2 . 3]" 1
388 1 39 ILE HB 1 40 THR H 5.280 . 5.280 2.964 2.462 4.011 . 0 0 "[ . 1 . 2 . 3]" 1
389 1 39 ILE QG 1 43 ASP QB 5.210 . 5.210 2.465 1.689 3.674 0.111 7 0 "[ . 1 . 2 . 3]" 1
390 1 39 ILE QG 1 44 ILE H 5.800 . 5.800 3.982 3.114 4.965 . 0 0 "[ . 1 . 2 . 3]" 1
391 1 39 ILE QG 1 44 ILE MD 4.850 . 4.850 2.598 1.924 3.518 . 0 0 "[ . 1 . 2 . 3]" 1
392 1 39 ILE MG 1 40 THR H 5.260 . 5.260 3.780 3.278 4.062 . 0 0 "[ . 1 . 2 . 3]" 1
393 1 39 ILE MG 1 43 ASP HB2 5.660 . 5.660 4.174 2.879 4.723 . 0 0 "[ . 1 . 2 . 3]" 1
394 1 39 ILE MG 1 43 ASP HB3 5.660 . 5.660 3.711 2.552 4.643 . 0 0 "[ . 1 . 2 . 3]" 1
395 1 40 THR H 1 40 THR MG 4.600 . 4.600 2.857 1.852 3.702 . 0 0 "[ . 1 . 2 . 3]" 1
396 1 40 THR H 1 43 ASP H 5.870 . 5.870 4.254 3.658 4.792 . 0 0 "[ . 1 . 2 . 3]" 1
397 1 40 THR H 1 43 ASP QB 4.970 . 4.970 2.969 2.311 3.472 . 0 0 "[ . 1 . 2 . 3]" 1
398 1 40 THR HA 1 41 GLU H 4.070 . 4.070 2.388 2.242 2.735 . 0 0 "[ . 1 . 2 . 3]" 1
399 1 40 THR MG 1 41 GLU H 5.600 . 5.600 3.035 1.998 3.950 . 0 0 "[ . 1 . 2 . 3]" 1
400 1 40 THR MG 1 42 ASP H 5.450 . 5.450 3.198 1.915 4.431 . 0 0 "[ . 1 . 2 . 3]" 1
401 1 40 THR MG 1 43 ASP H 5.740 . 5.740 3.733 1.899 4.779 . 0 0 "[ . 1 . 2 . 3]" 1
402 1 41 GLU H 1 41 GLU QG 5.120 . 5.120 3.136 1.920 3.946 . 0 0 "[ . 1 . 2 . 3]" 1
403 1 41 GLU H 1 42 ASP H 4.930 . 4.930 2.695 2.361 3.022 . 0 0 "[ . 1 . 2 . 3]" 1
404 1 41 GLU HA 1 43 ASP H 5.610 . 5.610 3.893 3.591 4.624 . 0 0 "[ . 1 . 2 . 3]" 1
405 1 41 GLU HA 1 44 ILE H 5.100 . 5.100 3.518 3.161 4.163 . 0 0 "[ . 1 . 2 . 3]" 1
406 1 41 GLU HA 1 44 ILE HB 5.160 . 5.160 3.732 2.986 4.695 . 0 0 "[ . 1 . 2 . 3]" 1
407 1 41 GLU HA 1 44 ILE MD 4.910 . 4.910 3.668 2.350 4.037 . 0 0 "[ . 1 . 2 . 3]" 1
408 1 41 GLU HA 1 44 ILE QG 4.960 . 4.960 2.261 1.849 2.701 . 0 0 "[ . 1 . 2 . 3]" 1
409 1 41 GLU QB 1 42 ASP H 5.100 . 5.100 3.025 2.230 3.708 . 0 0 "[ . 1 . 2 . 3]" 1
410 1 41 GLU QB 1 44 ILE QG 5.190 . 5.190 3.831 3.408 4.130 . 0 0 "[ . 1 . 2 . 3]" 1
411 1 41 GLU HB2 1 42 ASP H 5.760 . 5.760 3.983 3.684 4.239 . 0 0 "[ . 1 . 2 . 3]" 1
412 1 41 GLU HB3 1 42 ASP H 5.760 . 5.760 3.244 2.248 4.168 . 0 0 "[ . 1 . 2 . 3]" 1
413 1 41 GLU QG 1 42 ASP QB 5.590 . 5.590 3.755 2.850 4.440 . 0 0 "[ . 1 . 2 . 3]" 1
414 1 41 GLU QG 1 43 ASP H 6.000 . 6.000 4.441 4.037 4.884 . 0 0 "[ . 1 . 2 . 3]" 1
415 1 41 GLU QG 1 44 ILE QG 6.000 . 6.000 3.933 2.610 4.775 . 0 0 "[ . 1 . 2 . 3]" 1
416 1 41 GLU HG2 1 43 ASP H 6.000 . 6.000 4.978 4.195 5.993 . 0 0 "[ . 1 . 2 . 3]" 1
417 1 41 GLU HG3 1 43 ASP H 6.000 . 6.000 5.208 4.235 5.973 . 0 0 "[ . 1 . 2 . 3]" 1
418 1 42 ASP H 1 43 ASP H 4.570 . 4.570 2.589 2.330 2.895 . 0 0 "[ . 1 . 2 . 3]" 1
419 1 42 ASP H 1 44 ILE H 5.400 . 5.400 4.151 3.818 4.333 . 0 0 "[ . 1 . 2 . 3]" 1
420 1 42 ASP HA 1 45 GLU H 4.920 . 4.920 4.054 3.490 4.369 . 0 0 "[ . 1 . 2 . 3]" 1
421 1 42 ASP QB 1 43 ASP H 4.550 . 4.550 2.973 2.543 3.695 . 0 0 "[ . 1 . 2 . 3]" 1
422 1 43 ASP H 1 44 ILE H 4.130 . 4.130 2.427 2.235 2.822 . 0 0 "[ . 1 . 2 . 3]" 1
423 1 43 ASP H 1 44 ILE HB 6.000 . 6.000 4.622 4.275 4.989 . 0 0 "[ . 1 . 2 . 3]" 1
424 1 43 ASP H 1 44 ILE MD 6.000 . 6.000 4.617 3.935 4.992 . 0 0 "[ . 1 . 2 . 3]" 1
425 1 43 ASP H 1 45 GLU H 5.700 . 5.700 4.559 4.020 5.406 . 0 0 "[ . 1 . 2 . 3]" 1
426 1 43 ASP HA 1 46 GLU H 5.160 . 5.160 3.356 2.743 3.924 . 0 0 "[ . 1 . 2 . 3]" 1
427 1 43 ASP HA 1 46 GLU QB 4.510 . 4.510 2.515 1.806 3.488 . 0 0 "[ . 1 . 2 . 3]" 1
428 1 43 ASP QB 1 44 ILE H 4.660 . 4.660 3.019 2.683 3.166 . 0 0 "[ . 1 . 2 . 3]" 1
429 1 43 ASP HB2 1 44 ILE H 5.400 . 5.400 3.356 2.827 3.939 . 0 0 "[ . 1 . 2 . 3]" 1
430 1 43 ASP HB2 1 44 ILE MD 6.000 . 6.000 4.403 3.627 5.000 . 0 0 "[ . 1 . 2 . 3]" 1
431 1 43 ASP HB3 1 44 ILE H 5.400 . 5.400 3.528 2.939 3.906 . 0 0 "[ . 1 . 2 . 3]" 1
432 1 43 ASP HB3 1 44 ILE MD 6.000 . 6.000 3.996 2.492 4.979 . 0 0 "[ . 1 . 2 . 3]" 1
433 1 44 ILE H 1 44 ILE MD 5.360 . 5.360 3.186 2.527 3.649 . 0 0 "[ . 1 . 2 . 3]" 1
434 1 44 ILE H 1 44 ILE QG 4.060 . 4.060 1.934 1.846 2.157 . 0 0 "[ . 1 . 2 . 3]" 1
435 1 44 ILE HA 1 46 GLU H 5.940 . 5.940 4.058 3.733 4.402 . 0 0 "[ . 1 . 2 . 3]" 1
436 1 44 ILE HA 1 47 LEU QB 5.110 . 5.110 3.923 2.988 4.560 . 0 0 "[ . 1 . 2 . 3]" 1
437 1 44 ILE HA 1 47 LEU HG 5.040 . 5.040 4.869 4.132 5.054 0.014 30 0 "[ . 1 . 2 . 3]" 1
438 1 44 ILE HB 1 45 GLU H 4.560 . 4.560 2.431 1.923 3.043 . 0 0 "[ . 1 . 2 . 3]" 1
439 1 44 ILE HB 1 45 GLU QG 4.160 . 4.160 3.322 2.765 3.703 . 0 0 "[ . 1 . 2 . 3]" 1
440 1 44 ILE QG 1 45 GLU H 5.610 . 5.610 3.897 3.552 4.212 . 0 0 "[ . 1 . 2 . 3]" 1
441 1 44 ILE MG 1 46 GLU H 6.000 . 6.000 4.734 4.463 4.998 . 0 0 "[ . 1 . 2 . 3]" 1
442 1 45 GLU H 1 45 GLU HG2 4.850 . 4.850 3.332 1.882 4.162 . 0 0 "[ . 1 . 2 . 3]" 1
443 1 45 GLU H 1 45 GLU QG 4.100 . 4.100 2.422 1.873 2.965 . 0 0 "[ . 1 . 2 . 3]" 1
444 1 45 GLU H 1 45 GLU HG3 4.850 . 4.850 2.577 1.928 3.389 . 0 0 "[ . 1 . 2 . 3]" 1
445 1 45 GLU H 1 46 GLU H 4.200 . 4.200 2.589 2.263 2.936 . 0 0 "[ . 1 . 2 . 3]" 1
446 1 45 GLU H 1 46 GLU QB 5.510 . 5.510 4.215 3.811 4.849 . 0 0 "[ . 1 . 2 . 3]" 1
447 1 45 GLU HA 1 47 LEU H 5.680 . 5.680 4.095 3.605 5.217 . 0 0 "[ . 1 . 2 . 3]" 1
448 1 45 GLU HA 1 48 MET H 5.160 . 5.160 3.291 2.816 3.708 . 0 0 "[ . 1 . 2 . 3]" 1
449 1 45 GLU HA 1 48 MET HB2 5.110 . 5.110 2.814 1.946 3.793 . 0 0 "[ . 1 . 2 . 3]" 1
450 1 45 GLU HA 1 48 MET QB 4.490 . 4.490 2.546 1.931 3.333 . 0 0 "[ . 1 . 2 . 3]" 1
451 1 45 GLU HA 1 48 MET HB3 5.110 . 5.110 3.310 2.551 4.191 . 0 0 "[ . 1 . 2 . 3]" 1
452 1 45 GLU HA 1 49 LYS H 6.000 . 6.000 4.669 3.494 5.380 . 0 0 "[ . 1 . 2 . 3]" 1
453 1 45 GLU QB 1 48 MET QB 6.000 . 6.000 3.792 3.184 4.337 . 0 0 "[ . 1 . 2 . 3]" 1
454 1 46 GLU H 1 47 LEU QB 6.000 . 6.000 4.582 4.129 5.007 . 0 0 "[ . 1 . 2 . 3]" 1
455 1 46 GLU H 1 47 LEU QD 6.000 . 6.000 4.162 3.168 4.455 . 0 0 "[ . 1 . 2 . 3]" 1
456 1 46 GLU H 1 47 LEU HG 5.800 . 5.800 4.766 4.318 5.306 . 0 0 "[ . 1 . 2 . 3]" 1
457 1 46 GLU QB 1 47 LEU H 4.320 . 4.320 2.632 2.039 3.118 . 0 0 "[ . 1 . 2 . 3]" 1
458 1 46 GLU QB 1 47 LEU HG 6.000 . 6.000 3.166 2.646 3.943 . 0 0 "[ . 1 . 2 . 3]" 1
459 1 46 GLU QG 1 47 LEU H 6.000 . 6.000 4.124 3.205 4.596 . 0 0 "[ . 1 . 2 . 3]" 1
460 1 47 LEU H 1 47 LEU HG 4.800 . 4.800 2.546 1.941 3.241 . 0 0 "[ . 1 . 2 . 3]" 1
461 1 47 LEU H 1 48 MET H 4.730 . 4.730 2.539 2.265 2.944 . 0 0 "[ . 1 . 2 . 3]" 1
462 1 47 LEU HA 1 49 LYS H 5.830 . 5.830 4.179 3.553 4.694 . 0 0 "[ . 1 . 2 . 3]" 1
463 1 47 LEU HA 1 50 ASP H 5.220 . 5.220 3.765 3.242 4.287 . 0 0 "[ . 1 . 2 . 3]" 1
464 1 47 LEU HA 1 50 ASP HB2 5.690 . 5.690 3.586 2.647 4.768 . 0 0 "[ . 1 . 2 . 3]" 1
465 1 47 LEU QB 1 48 MET H 5.620 . 5.620 2.672 2.226 3.127 . 0 0 "[ . 1 . 2 . 3]" 1
466 1 47 LEU QB 1 67 PHE QE 6.000 . 6.000 2.692 1.884 4.097 . 0 0 "[ . 1 . 2 . 3]" 1
467 1 48 MET H 1 49 LYS H 4.570 . 4.570 2.742 2.396 3.095 . 0 0 "[ . 1 . 2 . 3]" 1
468 1 48 MET HA 1 48 MET ME 5.320 . 5.320 3.462 2.466 4.294 . 0 0 "[ . 1 . 2 . 3]" 1
469 1 48 MET HA 1 51 GLY H 4.920 . 4.920 3.238 2.776 3.973 . 0 0 "[ . 1 . 2 . 3]" 1
470 1 48 MET HA 1 59 ILE MD 4.970 . 4.970 2.927 2.160 3.387 . 0 0 "[ . 1 . 2 . 3]" 1
471 1 48 MET QB 1 49 LYS H 4.490 . 4.490 2.666 2.265 3.072 . 0 0 "[ . 1 . 2 . 3]" 1
472 1 48 MET QB 1 50 ASP H 6.000 . 6.000 4.799 4.305 5.285 . 0 0 "[ . 1 . 2 . 3]" 1
473 1 48 MET ME 1 52 ASP H 6.000 . 6.000 4.664 4.173 4.993 . 0 0 "[ . 1 . 2 . 3]" 1
474 1 48 MET ME 1 52 ASP HB2 4.970 . 4.970 2.618 1.988 3.315 . 0 0 "[ . 1 . 2 . 3]" 1
475 1 48 MET ME 1 52 ASP HB3 5.830 . 5.830 3.255 2.388 4.204 . 0 0 "[ . 1 . 2 . 3]" 1
476 1 48 MET ME 1 58 ARG H 5.630 . 5.630 3.783 3.065 4.612 . 0 0 "[ . 1 . 2 . 3]" 1
477 1 48 MET ME 1 58 ARG HA 4.560 . 4.560 3.657 2.961 3.807 . 0 0 "[ . 1 . 2 . 3]" 1
478 1 48 MET ME 1 59 ILE H 4.850 . 4.850 3.721 2.861 4.017 . 0 0 "[ . 1 . 2 . 3]" 1
479 1 48 MET ME 1 59 ILE MD 4.300 . 4.300 1.989 1.751 2.571 0.049 7 0 "[ . 1 . 2 . 3]" 1
480 1 48 MET ME 1 59 ILE QG . . 3.430 1.838 1.711 2.041 0.089 14 0 "[ . 1 . 2 . 3]" 1
481 1 48 MET ME 1 59 ILE MG 5.520 . 5.520 3.793 3.654 3.842 . 0 0 "[ . 1 . 2 . 3]" 1
482 1 48 MET QG 1 59 ILE MD 5.880 . 5.880 2.961 1.838 4.363 . 0 0 "[ . 1 . 2 . 3]" 1
483 1 49 LYS H 1 49 LYS QG 4.770 . 4.770 2.609 1.909 3.910 . 0 0 "[ . 1 . 2 . 3]" 1
484 1 49 LYS H 1 50 ASP H 5.770 . 5.770 2.887 2.599 3.178 . 0 0 "[ . 1 . 2 . 3]" 1
485 1 49 LYS H 1 52 ASP H 5.890 . 5.890 4.614 4.182 5.036 . 0 0 "[ . 1 . 2 . 3]" 1
486 1 49 LYS HA 1 52 ASP H 5.090 . 5.090 3.689 2.969 4.062 . 0 0 "[ . 1 . 2 . 3]" 1
487 1 49 LYS HA 1 52 ASP HB2 6.000 . 6.000 5.193 4.367 6.001 0.001 19 0 "[ . 1 . 2 . 3]" 1
488 1 49 LYS HA 1 52 ASP HB3 6.000 . 6.000 4.445 3.056 5.521 . 0 0 "[ . 1 . 2 . 3]" 1
489 1 49 LYS HA 1 53 LYS QG 5.530 . 5.530 3.978 3.277 4.542 . 0 0 "[ . 1 . 2 . 3]" 1
490 1 49 LYS QB 1 50 ASP H 5.150 . 5.150 2.729 2.130 3.561 . 0 0 "[ . 1 . 2 . 3]" 1
491 1 49 LYS QB 1 52 ASP H 6.000 . 6.000 4.905 4.358 5.321 . 0 0 "[ . 1 . 2 . 3]" 1
492 1 49 LYS QB 1 53 LYS QG 4.970 . 4.970 3.877 3.490 3.962 . 0 0 "[ . 1 . 2 . 3]" 1
493 1 49 LYS HB2 1 50 ASP H 5.730 . 5.730 2.998 2.229 3.945 . 0 0 "[ . 1 . 2 . 3]" 1
494 1 49 LYS HB3 1 50 ASP H 5.730 . 5.730 3.285 2.397 4.063 . 0 0 "[ . 1 . 2 . 3]" 1
495 1 50 ASP H 1 50 ASP HB2 4.170 . 4.170 2.158 1.950 2.434 . 0 0 "[ . 1 . 2 . 3]" 1
496 1 50 ASP H 1 51 GLY H 4.500 . 4.500 2.502 2.143 2.860 . 0 0 "[ . 1 . 2 . 3]" 1
497 1 50 ASP H 1 51 GLY QA 5.820 . 5.820 4.457 4.144 4.793 . 0 0 "[ . 1 . 2 . 3]" 1
498 1 50 ASP H 1 52 ASP H 4.910 . 4.910 3.832 3.476 4.821 . 0 0 "[ . 1 . 2 . 3]" 1
499 1 50 ASP HB2 1 51 GLY H 4.970 . 4.970 2.995 2.314 3.737 . 0 0 "[ . 1 . 2 . 3]" 1
500 1 50 ASP HB2 1 51 GLY QA 5.950 . 5.950 4.385 3.846 5.101 . 0 0 "[ . 1 . 2 . 3]" 1
501 1 50 ASP HB2 1 67 PHE QB 6.000 . 6.000 4.716 3.822 5.347 . 0 0 "[ . 1 . 2 . 3]" 1
502 1 50 ASP HB2 1 67 PHE QE 6.000 . 6.000 3.718 2.619 5.094 . 0 0 "[ . 1 . 2 . 3]" 1
503 1 50 ASP HB3 1 51 GLY QA 6.000 . 6.000 3.984 3.638 4.366 . 0 0 "[ . 1 . 2 . 3]" 1
504 1 50 ASP HB3 1 67 PHE HB2 6.000 . 6.000 3.984 3.021 5.199 . 0 0 "[ . 1 . 2 . 3]" 1
505 1 50 ASP HB3 1 67 PHE QB 6.000 . 6.000 3.821 2.980 4.863 . 0 0 "[ . 1 . 2 . 3]" 1
506 1 50 ASP HB3 1 67 PHE HB3 6.000 . 6.000 5.009 4.388 5.999 . 0 0 "[ . 1 . 2 . 3]" 1
507 1 50 ASP HB3 1 67 PHE QE 6.000 . 6.000 4.193 2.818 5.301 . 0 0 "[ . 1 . 2 . 3]" 1
508 1 51 GLY H 1 59 ILE MD 5.610 . 5.610 4.226 3.310 4.647 . 0 0 "[ . 1 . 2 . 3]" 1
509 1 51 GLY QA 1 52 ASP HB2 6.000 . 6.000 3.789 3.551 4.029 . 0 0 "[ . 1 . 2 . 3]" 1
510 1 51 GLY QA 1 59 ILE MD 4.790 . 4.790 2.752 1.828 3.126 . 0 0 "[ . 1 . 2 . 3]" 1
511 1 51 GLY QA 1 59 ILE QG 6.000 . 6.000 3.759 2.852 4.529 . 0 0 "[ . 1 . 2 . 3]" 1
512 1 51 GLY QA 1 59 ILE MG 4.620 . 4.620 2.783 2.066 3.434 . 0 0 "[ . 1 . 2 . 3]" 1
513 1 51 GLY QA 1 67 PHE QB 4.720 . 4.720 2.062 1.770 3.010 0.030 11 0 "[ . 1 . 2 . 3]" 1
514 1 51 GLY QA 1 67 PHE QD 5.060 . 5.060 2.841 1.863 3.928 . 0 0 "[ . 1 . 2 . 3]" 1
515 1 51 GLY HA2 1 59 ILE MD 5.400 . 5.400 4.131 3.261 4.505 . 0 0 "[ . 1 . 2 . 3]" 1
516 1 51 GLY HA2 1 59 ILE MG 5.460 . 5.460 3.478 2.669 4.348 . 0 0 "[ . 1 . 2 . 3]" 1
517 1 51 GLY HA2 1 67 PHE QD 5.780 . 5.780 3.314 2.399 4.343 . 0 0 "[ . 1 . 2 . 3]" 1
518 1 51 GLY HA3 1 59 ILE MD 5.400 . 5.400 2.796 1.837 3.189 . 0 0 "[ . 1 . 2 . 3]" 1
519 1 51 GLY HA3 1 59 ILE MG 5.460 . 5.460 2.939 2.102 3.630 . 0 0 "[ . 1 . 2 . 3]" 1
520 1 51 GLY HA3 1 67 PHE QD 5.780 . 5.780 3.203 1.895 4.482 . 0 0 "[ . 1 . 2 . 3]" 1
521 1 52 ASP H 1 53 LYS H 5.200 . 5.200 3.038 2.481 3.892 . 0 0 "[ . 1 . 2 . 3]" 1
522 1 52 ASP H 1 59 ILE MD 5.610 . 5.610 4.184 2.942 4.680 . 0 0 "[ . 1 . 2 . 3]" 1
523 1 52 ASP HA 1 53 LYS H 4.140 . 4.140 2.613 2.261 2.880 . 0 0 "[ . 1 . 2 . 3]" 1
524 1 52 ASP HA 1 54 ASN H 5.460 . 5.460 3.183 3.026 3.684 . 0 0 "[ . 1 . 2 . 3]" 1
525 1 52 ASP HB2 1 53 LYS H 5.910 . 5.910 4.600 4.319 4.696 . 0 0 "[ . 1 . 2 . 3]" 1
526 1 52 ASP HB2 1 55 ASN H 6.000 . 6.000 4.655 4.154 5.122 . 0 0 "[ . 1 . 2 . 3]" 1
527 1 52 ASP HB3 1 55 ASN H 5.430 . 5.430 3.188 2.596 3.561 . 0 0 "[ . 1 . 2 . 3]" 1
528 1 52 ASP HB3 1 55 ASN QB 5.550 . 5.550 4.839 4.085 4.982 . 0 0 "[ . 1 . 2 . 3]" 1
529 1 52 ASP HB3 1 59 ILE MD 5.950 . 5.950 4.359 3.483 4.964 . 0 0 "[ . 1 . 2 . 3]" 1
530 1 53 LYS H 1 53 LYS QD 6.000 . 6.000 4.292 2.563 4.868 . 0 0 "[ . 1 . 2 . 3]" 1
531 1 53 LYS H 1 53 LYS QE 6.000 . 6.000 4.722 3.051 5.349 . 0 0 "[ . 1 . 2 . 3]" 1
532 1 53 LYS H 1 53 LYS QG 4.670 . 4.670 3.125 2.151 3.630 . 0 0 "[ . 1 . 2 . 3]" 1
533 1 53 LYS H 1 54 ASN H 4.400 . 4.400 2.727 2.484 2.877 . 0 0 "[ . 1 . 2 . 3]" 1
534 1 53 LYS H 1 54 ASN HA 6.000 . 6.000 5.362 5.137 5.504 . 0 0 "[ . 1 . 2 . 3]" 1
535 1 53 LYS H 1 63 GLU HB3 5.310 . 5.310 4.562 3.766 5.324 0.014 6 0 "[ . 1 . 2 . 3]" 1
536 1 53 LYS QB 1 54 ASN H 4.720 . 4.720 2.957 2.541 3.249 . 0 0 "[ . 1 . 2 . 3]" 1
537 1 53 LYS QB 1 55 ASN H 6.000 . 6.000 4.564 4.362 4.888 . 0 0 "[ . 1 . 2 . 3]" 1
538 1 53 LYS HB2 1 54 ASN H 5.430 . 5.430 3.302 2.881 3.721 . 0 0 "[ . 1 . 2 . 3]" 1
539 1 53 LYS HB3 1 54 ASN H 5.430 . 5.430 3.397 2.660 3.900 . 0 0 "[ . 1 . 2 . 3]" 1
540 1 54 ASN H 1 55 ASN H 4.380 . 4.380 2.480 2.039 2.917 . 0 0 "[ . 1 . 2 . 3]" 1
541 1 54 ASN H 1 55 ASN HA 5.910 . 5.910 4.780 4.363 4.984 . 0 0 "[ . 1 . 2 . 3]" 1
542 1 54 ASN QB 1 56 ASP H 5.450 . 5.450 3.651 2.403 4.879 . 0 0 "[ . 1 . 2 . 3]" 1
543 1 55 ASN H 1 56 ASP H 4.660 . 4.660 3.195 2.638 4.251 . 0 0 "[ . 1 . 2 . 3]" 1
544 1 55 ASN HA 1 57 GLY H 5.290 . 5.290 3.330 2.983 3.779 . 0 0 "[ . 1 . 2 . 3]" 1
545 1 56 ASP H 1 57 GLY H 4.260 . 4.260 2.479 1.856 3.666 . 0 0 "[ . 1 . 2 . 3]" 1
546 1 56 ASP QB 1 58 ARG H 5.720 . 5.720 3.352 2.112 4.016 . 0 0 "[ . 1 . 2 . 3]" 1
547 1 57 GLY H 1 58 ARG H 4.420 . 4.420 2.285 1.903 2.766 . 0 0 "[ . 1 . 2 . 3]" 1
548 1 57 GLY QA 1 58 ARG HA 5.590 . 5.590 4.077 4.051 4.125 . 0 0 "[ . 1 . 2 . 3]" 1
549 1 58 ARG HA 1 58 ARG QD 5.090 . 5.090 3.813 2.128 4.304 . 0 0 "[ . 1 . 2 . 3]" 1
550 1 58 ARG HA 1 59 ILE H 4.290 . 4.290 2.263 2.214 2.441 . 0 0 "[ . 1 . 2 . 3]" 1
551 1 58 ARG QB 1 59 ILE H 4.810 . 4.810 3.216 2.587 3.739 . 0 0 "[ . 1 . 2 . 3]" 1
552 1 58 ARG HB2 1 59 ILE H 5.620 . 5.620 3.988 2.624 4.539 . 0 0 "[ . 1 . 2 . 3]" 1
553 1 58 ARG HB3 1 59 ILE H 5.620 . 5.620 3.632 2.951 4.365 . 0 0 "[ . 1 . 2 . 3]" 1
554 1 58 ARG QG 1 59 ILE H 5.830 . 5.830 3.645 2.804 4.643 . 0 0 "[ . 1 . 2 . 3]" 1
555 1 59 ILE HA 1 60 ASP H 4.030 . 4.030 2.251 2.206 2.328 . 0 0 "[ . 1 . 2 . 3]" 1
556 1 59 ILE HA 1 63 GLU HB2 5.370 . 5.370 3.628 2.978 4.264 . 0 0 "[ . 1 . 2 . 3]" 1
557 1 59 ILE HA 1 63 GLU HB3 5.640 . 5.640 4.036 3.231 5.181 . 0 0 "[ . 1 . 2 . 3]" 1
558 1 59 ILE MD 1 64 PHE QD 6.000 . 6.000 4.243 3.564 4.456 . 0 0 "[ . 1 . 2 . 3]" 1
559 1 59 ILE MG 1 60 ASP H 4.360 . 4.360 3.068 2.379 3.515 . 0 0 "[ . 1 . 2 . 3]" 1
560 1 59 ILE MG 1 63 GLU H 5.560 . 5.560 4.470 4.120 4.649 . 0 0 "[ . 1 . 2 . 3]" 1
561 1 59 ILE MG 1 63 GLU HB2 4.670 . 4.670 3.114 2.385 3.819 . 0 0 "[ . 1 . 2 . 3]" 1
562 1 59 ILE MG 1 63 GLU HB3 4.670 . 4.670 3.189 2.362 3.869 . 0 0 "[ . 1 . 2 . 3]" 1
563 1 59 ILE MG 1 64 PHE H 5.000 . 5.000 3.567 3.207 4.014 . 0 0 "[ . 1 . 2 . 3]" 1
564 1 59 ILE MG 1 64 PHE HA 4.930 . 4.930 3.169 2.495 3.825 . 0 0 "[ . 1 . 2 . 3]" 1
565 1 59 ILE MG 1 64 PHE HB2 4.320 . 4.320 3.150 2.476 3.597 . 0 0 "[ . 1 . 2 . 3]" 1
566 1 59 ILE MG 1 64 PHE HB3 5.950 . 5.950 4.550 3.966 4.962 . 0 0 "[ . 1 . 2 . 3]" 1
567 1 59 ILE MG 1 64 PHE QD 4.920 . 4.920 2.939 2.029 3.630 . 0 0 "[ . 1 . 2 . 3]" 1
568 1 59 ILE MG 1 67 PHE QB 6.000 . 6.000 3.987 3.131 4.455 . 0 0 "[ . 1 . 2 . 3]" 1
569 1 60 ASP H 1 63 GLU H 5.690 . 5.690 3.835 3.108 4.367 . 0 0 "[ . 1 . 2 . 3]" 1
570 1 60 ASP H 1 63 GLU HB2 4.590 . 4.590 2.642 1.924 3.233 . 0 0 "[ . 1 . 2 . 3]" 1
571 1 60 ASP H 1 63 GLU HB3 5.430 . 5.430 3.894 3.006 4.649 . 0 0 "[ . 1 . 2 . 3]" 1
572 1 60 ASP H 1 63 GLU QG 5.620 . 5.620 3.928 2.729 4.905 . 0 0 "[ . 1 . 2 . 3]" 1
573 1 60 ASP HA 1 61 TYR H 4.560 . 4.560 2.561 2.348 2.807 . 0 0 "[ . 1 . 2 . 3]" 1
574 1 60 ASP QB 1 61 TYR H 4.560 . 4.560 2.603 2.015 3.504 . 0 0 "[ . 1 . 2 . 3]" 1
575 1 60 ASP QB 1 62 ASP H 4.930 . 4.930 3.212 2.653 3.951 . 0 0 "[ . 1 . 2 . 3]" 1
576 1 60 ASP HB2 1 61 TYR H 5.260 . 5.260 3.120 2.026 4.057 . 0 0 "[ . 1 . 2 . 3]" 1
577 1 60 ASP HB3 1 61 TYR H 5.260 . 5.260 3.286 2.081 4.101 . 0 0 "[ . 1 . 2 . 3]" 1
578 1 61 TYR H 1 61 TYR HB2 4.390 . 4.390 2.462 1.948 2.758 . 0 0 "[ . 1 . 2 . 3]" 1
579 1 61 TYR H 1 61 TYR HB3 4.390 . 4.390 2.455 2.139 3.257 . 0 0 "[ . 1 . 2 . 3]" 1
580 1 61 TYR H 1 62 ASP H 4.850 . 4.850 2.770 2.335 3.255 . 0 0 "[ . 1 . 2 . 3]" 1
581 1 61 TYR QB 1 62 ASP H 4.630 . 4.630 2.398 1.874 3.007 . 0 0 "[ . 1 . 2 . 3]" 1
582 1 61 TYR QB 1 64 PHE HB3 5.370 . 5.370 4.518 4.182 4.824 . 0 0 "[ . 1 . 2 . 3]" 1
583 1 61 TYR HB2 1 64 PHE HB3 6.000 . 6.000 4.975 4.501 5.725 . 0 0 "[ . 1 . 2 . 3]" 1
584 1 61 TYR HB3 1 64 PHE HB3 6.000 . 6.000 5.226 4.644 5.537 . 0 0 "[ . 1 . 2 . 3]" 1
585 1 61 TYR QD 1 64 PHE HB3 5.360 . 5.360 3.051 1.867 4.635 . 0 0 "[ . 1 . 2 . 3]" 1
586 1 61 TYR QD 1 64 PHE QD 5.610 . 5.610 3.419 2.609 4.279 . 0 0 "[ . 1 . 2 . 3]" 1
587 1 61 TYR QD 1 65 LEU QD 5.240 . 5.240 3.175 2.235 3.473 . 0 0 "[ . 1 . 2 . 3]" 1
588 1 61 TYR QE 1 65 LEU QD 4.980 . 4.980 2.523 1.838 3.254 . 0 0 "[ . 1 . 2 . 3]" 1
589 1 62 ASP H 1 63 GLU H 4.430 . 4.430 2.846 2.517 3.005 . 0 0 "[ . 1 . 2 . 3]" 1
590 1 62 ASP H 1 65 LEU H 6.000 . 6.000 5.335 5.057 5.582 . 0 0 "[ . 1 . 2 . 3]" 1
591 1 62 ASP HA 1 65 LEU H 5.930 . 5.930 4.060 3.399 4.507 . 0 0 "[ . 1 . 2 . 3]" 1
592 1 62 ASP HA 1 65 LEU QB 5.710 . 5.710 3.692 2.994 4.308 . 0 0 "[ . 1 . 2 . 3]" 1
593 1 62 ASP HA 1 65 LEU QD 4.990 . 4.990 3.376 2.710 3.696 . 0 0 "[ . 1 . 2 . 3]" 1
594 1 62 ASP QB 1 63 GLU H 4.460 . 4.460 2.646 2.054 3.421 . 0 0 "[ . 1 . 2 . 3]" 1
595 1 62 ASP HB2 1 63 GLU H 5.220 . 5.220 3.417 2.625 4.099 . 0 0 "[ . 1 . 2 . 3]" 1
596 1 62 ASP HB3 1 63 GLU H 5.220 . 5.220 2.861 2.085 3.974 . 0 0 "[ . 1 . 2 . 3]" 1
597 1 63 GLU H 1 63 GLU QG 4.430 . 4.430 2.614 1.947 3.446 . 0 0 "[ . 1 . 2 . 3]" 1
598 1 63 GLU H 1 64 PHE H 4.750 . 4.750 2.457 2.247 2.799 . 0 0 "[ . 1 . 2 . 3]" 1
599 1 63 GLU HA 1 65 LEU H 6.000 . 6.000 3.954 3.601 4.751 . 0 0 "[ . 1 . 2 . 3]" 1
600 1 63 GLU HB2 1 64 PHE H 5.110 . 5.110 2.953 2.578 3.421 . 0 0 "[ . 1 . 2 . 3]" 1
601 1 63 GLU HB3 1 64 PHE H 5.370 . 5.370 3.680 3.242 4.101 . 0 0 "[ . 1 . 2 . 3]" 1
602 1 63 GLU QG 1 64 PHE H 6.000 . 6.000 4.270 3.942 4.567 . 0 0 "[ . 1 . 2 . 3]" 1
603 1 64 PHE H 1 65 LEU H 5.190 . 5.190 2.727 2.442 2.995 . 0 0 "[ . 1 . 2 . 3]" 1
604 1 64 PHE HA 1 67 PHE HB2 5.140 . 5.140 3.084 2.255 3.872 . 0 0 "[ . 1 . 2 . 3]" 1
605 1 64 PHE HA 1 67 PHE QB 4.500 . 4.500 2.574 2.094 3.128 . 0 0 "[ . 1 . 2 . 3]" 1
606 1 64 PHE HA 1 67 PHE HB3 5.140 . 5.140 2.906 2.113 3.755 . 0 0 "[ . 1 . 2 . 3]" 1
607 1 64 PHE HB2 1 67 PHE QB 5.890 . 5.890 4.721 4.241 5.243 . 0 0 "[ . 1 . 2 . 3]" 1
608 1 64 PHE HB3 1 65 LEU H 4.950 . 4.950 2.740 2.127 3.115 . 0 0 "[ . 1 . 2 . 3]" 1
609 1 64 PHE HB3 1 65 LEU HA 5.490 . 5.490 4.235 3.976 4.441 . 0 0 "[ . 1 . 2 . 3]" 1
610 1 64 PHE QD 1 65 LEU H 5.760 . 5.760 4.097 3.565 4.508 . 0 0 "[ . 1 . 2 . 3]" 1
611 1 64 PHE QD 1 65 LEU HA 5.560 . 5.560 4.153 3.505 4.710 . 0 0 "[ . 1 . 2 . 3]" 1
612 1 64 PHE QD 1 65 LEU QD 5.250 . 5.250 2.904 2.195 3.458 . 0 0 "[ . 1 . 2 . 3]" 1
613 1 64 PHE QE 1 68 MET ME 5.570 . 5.570 3.137 2.196 4.106 . 0 0 "[ . 1 . 2 . 3]" 1
614 1 64 PHE HZ 1 68 MET ME 5.090 . 5.090 2.864 1.957 4.014 . 0 0 "[ . 1 . 2 . 3]" 1
615 1 65 LEU H 1 65 LEU HG 4.980 . 4.980 3.675 1.878 4.342 . 0 0 "[ . 1 . 2 . 3]" 1
616 1 65 LEU H 1 66 GLU H 5.200 . 5.200 2.840 2.568 3.292 . 0 0 "[ . 1 . 2 . 3]" 1
617 1 65 LEU HA 1 65 LEU QD 4.210 . 4.210 1.805 1.660 1.994 0.140 26 0 "[ . 1 . 2 . 3]" 1
618 1 65 LEU HA 1 68 MET H 5.760 . 5.760 3.687 3.147 4.161 . 0 0 "[ . 1 . 2 . 3]" 1
619 1 65 LEU HA 1 68 MET QG 5.230 . 5.230 3.345 2.346 3.810 . 0 0 "[ . 1 . 2 . 3]" 1
620 1 65 LEU QB 1 66 GLU H 4.980 . 4.980 2.406 2.088 2.830 . 0 0 "[ . 1 . 2 . 3]" 1
621 1 65 LEU HB2 1 66 GLU H 5.810 . 5.810 2.660 2.193 3.161 . 0 0 "[ . 1 . 2 . 3]" 1
622 1 65 LEU HB3 1 66 GLU H 5.810 . 5.810 2.887 2.204 3.718 . 0 0 "[ . 1 . 2 . 3]" 1
623 1 65 LEU QD 1 68 MET H 6.000 . 6.000 4.384 4.019 4.474 . 0 0 "[ . 1 . 2 . 3]" 1
624 1 65 LEU QD 1 68 MET QG 5.890 . 5.890 3.559 3.008 3.896 . 0 0 "[ . 1 . 2 . 3]" 1
625 1 66 GLU H 1 67 PHE H 4.720 . 4.720 2.717 2.453 2.889 . 0 0 "[ . 1 . 2 . 3]" 1
626 1 66 GLU H 1 69 LYS H 6.000 . 6.000 4.916 4.502 5.496 . 0 0 "[ . 1 . 2 . 3]" 1
627 1 66 GLU HA 1 68 MET H 6.000 . 6.000 4.617 3.662 5.225 . 0 0 "[ . 1 . 2 . 3]" 1
628 1 66 GLU HA 1 69 LYS H 5.560 . 5.560 3.628 3.078 4.497 . 0 0 "[ . 1 . 2 . 3]" 1
629 1 66 GLU HA 1 69 LYS QB 5.110 . 5.110 2.949 1.858 4.446 . 0 0 "[ . 1 . 2 . 3]" 1
630 1 67 PHE H 1 68 MET H 4.870 . 4.870 2.715 2.345 3.165 . 0 0 "[ . 1 . 2 . 3]" 1
631 1 67 PHE H 1 68 MET QG 5.690 . 5.690 4.056 3.555 4.637 . 0 0 "[ . 1 . 2 . 3]" 1
632 1 67 PHE H 1 69 LYS H 5.810 . 5.810 3.866 3.295 4.810 . 0 0 "[ . 1 . 2 . 3]" 1
633 1 67 PHE HA 1 68 MET HA 5.740 . 5.740 4.720 4.610 4.876 . 0 0 "[ . 1 . 2 . 3]" 1
634 1 67 PHE QB 1 68 MET H 4.890 . 4.890 2.363 1.959 2.795 . 0 0 "[ . 1 . 2 . 3]" 1
635 1 67 PHE QD 1 68 MET QB 6.000 . 6.000 3.959 2.277 4.777 . 0 0 "[ . 1 . 2 . 3]" 1
636 1 67 PHE QD 1 68 MET QG 6.000 . 6.000 2.958 1.896 4.440 . 0 0 "[ . 1 . 2 . 3]" 1
637 1 68 MET H 1 68 MET HG2 5.380 . 5.380 2.152 1.849 2.962 . 0 0 "[ . 1 . 2 . 3]" 1
638 1 68 MET H 1 68 MET HG3 5.380 . 5.380 3.087 2.021 3.796 . 0 0 "[ . 1 . 2 . 3]" 1
639 1 68 MET H 1 69 LYS H 4.980 . 4.980 2.464 2.130 2.918 . 0 0 "[ . 1 . 2 . 3]" 1
640 1 68 MET H 1 70 GLY H 5.810 . 5.810 4.842 3.839 5.863 0.053 30 0 "[ . 1 . 2 . 3]" 1
641 1 68 MET H 1 71 VAL QG 6.000 . 6.000 4.196 3.622 4.460 . 0 0 "[ . 1 . 2 . 3]" 1
642 1 68 MET HA 1 68 MET ME 5.490 . 5.490 3.510 1.998 4.253 . 0 0 "[ . 1 . 2 . 3]" 1
643 1 68 MET HA 1 71 VAL H 6.000 . 6.000 4.051 2.814 5.685 . 0 0 "[ . 1 . 2 . 3]" 1
644 1 68 MET HA 1 71 VAL QG 5.300 . 5.300 2.113 1.740 3.149 0.060 22 0 "[ . 1 . 2 . 3]" 1
645 1 68 MET QB 1 68 MET ME 4.350 . 4.350 2.495 1.754 3.230 0.046 2 0 "[ . 1 . 2 . 3]" 1
646 1 68 MET QB 1 71 VAL QG 5.490 . 5.490 2.728 1.707 3.642 0.093 6 0 "[ . 1 . 2 . 3]" 1
647 1 69 LYS H 1 70 GLY H 4.890 . 4.890 3.109 2.435 4.179 . 0 0 "[ . 1 . 2 . 3]" 1
648 1 69 LYS H 1 71 VAL H 5.450 . 5.450 4.818 3.946 5.465 0.015 26 0 "[ . 1 . 2 . 3]" 1
649 1 69 LYS HA 1 70 GLY QA 5.680 . 5.680 4.205 3.987 4.450 . 0 0 "[ . 1 . 2 . 3]" 1
650 1 69 LYS HB2 1 70 GLY H 6.000 . 6.000 3.961 2.037 4.680 . 0 0 "[ . 1 . 2 . 3]" 1
651 1 69 LYS HB3 1 70 GLY H 6.000 . 6.000 3.579 1.852 4.462 . 0 0 "[ . 1 . 2 . 3]" 1
652 1 70 GLY H 1 71 VAL H 5.150 . 5.150 2.628 1.855 3.634 . 0 0 "[ . 1 . 2 . 3]" 1
653 1 71 VAL HA 1 72 GLU H 4.550 . 4.550 2.724 2.210 3.541 . 0 0 "[ . 1 . 2 . 3]" 1
654 1 71 VAL HA 1 72 GLU HA 5.600 . 5.600 4.616 4.424 4.968 . 0 0 "[ . 1 . 2 . 3]" 1
655 1 71 VAL QG 1 72 GLU H 5.160 . 5.160 3.023 1.794 3.736 0.006 1 0 "[ . 1 . 2 . 3]" 1
656 1 71 VAL MG1 1 72 GLU H 5.780 . 5.780 3.509 2.012 4.354 . 0 0 "[ . 1 . 2 . 3]" 1
657 1 71 VAL MG2 1 72 GLU H 5.780 . 5.780 3.739 1.803 4.349 . 0 0 "[ . 1 . 2 . 3]" 1
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