NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
428842 |
2ike   |
15106 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ike
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 652
_Distance_constraint_stats_list.Viol_count 889
_Distance_constraint_stats_list.Viol_total 205.159
_Distance_constraint_stats_list.Viol_max 0.175
_Distance_constraint_stats_list.Viol_rms 0.0048
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0008
_Distance_constraint_stats_list.Viol_average_violations_only 0.0115
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 SER 0.144 0.019 7 0 "[ . 1 . 2]"
1 3 CYS 0.484 0.029 6 0 "[ . 1 . 2]"
1 4 LEU 0.642 0.038 7 0 "[ . 1 . 2]"
1 5 THR 0.588 0.038 6 0 "[ . 1 . 2]"
1 6 PRO 0.069 0.025 18 0 "[ . 1 . 2]"
1 7 ASP 0.191 0.104 18 0 "[ . 1 . 2]"
1 8 ASN 1.022 0.104 18 0 "[ . 1 . 2]"
1 9 LYS 0.083 0.013 1 0 "[ . 1 . 2]"
1 10 PRO 0.640 0.047 4 0 "[ . 1 . 2]"
1 11 GLY 0.924 0.077 7 0 "[ . 1 . 2]"
1 12 LYS 0.580 0.041 7 0 "[ . 1 . 2]"
1 13 CYS 0.116 0.019 18 0 "[ . 1 . 2]"
1 14 VAL 0.226 0.023 10 0 "[ . 1 . 2]"
1 15 ASN 0.029 0.016 12 0 "[ . 1 . 2]"
1 16 ILE 1.262 0.175 7 0 "[ . 1 . 2]"
1 17 LYS 1.480 0.175 7 0 "[ . 1 . 2]"
1 18 LYS 0.126 0.023 10 0 "[ . 1 . 2]"
1 19 CYS 0.292 0.030 19 0 "[ . 1 . 2]"
1 20 THR 0.160 0.040 9 0 "[ . 1 . 2]"
1 21 HIS 0.497 0.042 8 0 "[ . 1 . 2]"
1 22 LEU 0.829 0.042 8 0 "[ . 1 . 2]"
1 23 ALA 0.574 0.033 2 0 "[ . 1 . 2]"
1 24 GLU 0.802 0.035 9 0 "[ . 1 . 2]"
1 25 ILE 0.871 0.035 9 0 "[ . 1 . 2]"
1 26 GLU 0.303 0.033 8 0 "[ . 1 . 2]"
1 27 GLU 0.205 0.026 2 0 "[ . 1 . 2]"
1 28 ASP 0.151 0.057 20 0 "[ . 1 . 2]"
1 29 PRO 0.113 0.057 20 0 "[ . 1 . 2]"
1 30 ILE 0.288 0.059 16 0 "[ . 1 . 2]"
1 31 GLY 0.176 0.059 16 0 "[ . 1 . 2]"
1 32 GLU 0.042 0.016 12 0 "[ . 1 . 2]"
1 33 ASP 0.080 0.041 10 0 "[ . 1 . 2]"
1 34 GLU 0.338 0.041 10 0 "[ . 1 . 2]"
1 35 THR 0.471 0.031 12 0 "[ . 1 . 2]"
1 36 THR 0.359 0.019 1 0 "[ . 1 . 2]"
1 37 TYR 0.403 0.032 10 0 "[ . 1 . 2]"
1 38 LEU 0.747 0.032 13 0 "[ . 1 . 2]"
1 39 LYS 0.632 0.032 13 0 "[ . 1 . 2]"
1 40 ASN 0.169 0.035 19 0 "[ . 1 . 2]"
1 41 SER 0.164 0.035 19 0 "[ . 1 . 2]"
1 42 VAL 0.930 0.075 15 0 "[ . 1 . 2]"
1 43 CYS 0.700 0.081 15 0 "[ . 1 . 2]"
1 44 ALA 0.188 0.081 15 0 "[ . 1 . 2]"
1 45 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 GLU 0.081 0.032 3 0 "[ . 1 . 2]"
1 48 ASP 0.189 0.042 15 0 "[ . 1 . 2]"
1 49 ASN 0.215 0.042 15 0 "[ . 1 . 2]"
1 50 SER 0.133 0.049 11 0 "[ . 1 . 2]"
1 51 VAL 0.225 0.049 11 0 "[ . 1 . 2]"
1 52 CYS 0.046 0.008 5 0 "[ . 1 . 2]"
1 53 CYS 0.273 0.041 7 0 "[ . 1 . 2]"
1 54 GLY 0.136 0.077 7 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 LEU HA 1 1 LEU MD1 1.800 . 5.000 2.842 1.960 3.602 . 0 0 "[ . 1 . 2]" 1
2 1 1 LEU HA 1 1 LEU MD2 1.800 . 5.000 3.543 2.971 3.910 . 0 0 "[ . 1 . 2]" 1
3 1 1 LEU HA 1 2 SER H 1.800 . 2.500 2.301 2.281 2.312 . 0 0 "[ . 1 . 2]" 1
4 1 1 LEU HA 1 2 SER HA 1.800 . 4.500 4.347 4.329 4.369 . 0 0 "[ . 1 . 2]" 1
5 1 1 LEU QB 1 2 SER H 1.800 . 4.000 3.206 2.742 3.477 . 0 0 "[ . 1 . 2]" 1
6 1 1 LEU HG 1 2 SER H 1.800 . 3.500 2.559 1.989 3.456 . 0 0 "[ . 1 . 2]" 1
7 1 1 LEU QD 1 2 SER H 1.800 . 6.000 2.805 1.939 3.801 . 0 0 "[ . 1 . 2]" 1
8 1 1 LEU HA 1 13 CYS H 1.800 . 5.000 4.602 4.448 4.729 . 0 0 "[ . 1 . 2]" 1
9 1 1 LEU QB 1 13 CYS H 1.800 . 5.000 3.533 3.025 4.073 . 0 0 "[ . 1 . 2]" 1
10 1 1 LEU QB 1 13 CYS QB 1.800 . 5.000 2.428 1.943 3.161 . 0 0 "[ . 1 . 2]" 1
11 1 2 SER H 1 2 SER HA 1.800 . 3.000 2.910 2.882 2.935 . 0 0 "[ . 1 . 2]" 1
12 1 2 SER H 1 2 SER HB3 1.800 . 4.000 3.331 3.085 3.620 . 0 0 "[ . 1 . 2]" 1
13 1 2 SER H 1 2 SER HB2 1.800 . 4.000 3.345 2.952 3.494 . 0 0 "[ . 1 . 2]" 1
14 1 2 SER H 1 2 SER QB 1.800 . 3.500 2.949 2.816 3.038 . 0 0 "[ . 1 . 2]" 1
15 1 2 SER H 1 3 CYS H 1.800 . 4.500 4.475 4.398 4.519 0.019 7 0 "[ . 1 . 2]" 1
16 1 2 SER HA 1 3 CYS H 1.800 . 2.500 2.152 2.145 2.167 . 0 0 "[ . 1 . 2]" 1
17 1 2 SER HB2 1 3 CYS H 1.800 . 4.000 3.547 3.347 3.931 . 0 0 "[ . 1 . 2]" 1
18 1 2 SER HB3 1 3 CYS H 1.800 . 4.000 3.797 3.479 3.996 . 0 0 "[ . 1 . 2]" 1
19 1 2 SER QB 1 3 CYS H 1.800 . 3.500 3.237 3.146 3.319 . 0 0 "[ . 1 . 2]" 1
20 1 2 SER HA 1 3 CYS HA 1.800 . 4.500 4.397 4.392 4.402 . 0 0 "[ . 1 . 2]" 1
21 1 2 SER HA 1 3 CYS QB 1.800 . 5.000 4.203 4.003 4.440 . 0 0 "[ . 1 . 2]" 1
22 1 2 SER HB3 1 11 GLY H 1.800 . 5.000 4.750 4.049 5.003 0.003 20 0 "[ . 1 . 2]" 1
23 1 2 SER HB2 1 11 GLY H 1.800 . 5.000 4.577 4.094 5.003 0.003 4 0 "[ . 1 . 2]" 1
24 1 2 SER H 1 12 LYS HA 1.800 . 5.000 4.657 4.501 4.959 . 0 0 "[ . 1 . 2]" 1
25 1 2 SER HA 1 12 LYS HA 1.800 . 2.500 2.135 1.957 2.309 . 0 0 "[ . 1 . 2]" 1
26 1 2 SER HA 1 12 LYS QB 1.800 . 5.000 3.953 3.303 4.323 . 0 0 "[ . 1 . 2]" 1
27 1 2 SER HB3 1 12 LYS HA 1.800 . 5.000 4.079 3.823 4.298 . 0 0 "[ . 1 . 2]" 1
28 1 2 SER HB2 1 12 LYS HA 1.800 . 5.000 4.763 4.389 5.009 0.009 11 0 "[ . 1 . 2]" 1
29 1 2 SER H 1 13 CYS H 1.800 . 5.000 4.616 4.371 4.755 . 0 0 "[ . 1 . 2]" 1
30 1 2 SER HA 1 13 CYS H 1.800 . 3.500 3.356 3.168 3.511 0.011 7 0 "[ . 1 . 2]" 1
31 1 3 CYS H 1 3 CYS HA 1.800 . 3.000 2.945 2.936 2.949 . 0 0 "[ . 1 . 2]" 1
32 1 3 CYS H 1 4 LEU H 1.800 . 4.500 4.469 4.445 4.485 . 0 0 "[ . 1 . 2]" 1
33 1 3 CYS HA 1 4 LEU H 1.800 . 2.500 2.342 2.258 2.441 . 0 0 "[ . 1 . 2]" 1
34 1 3 CYS HB3 1 4 LEU H 1.800 . 4.000 3.819 3.535 3.990 . 0 0 "[ . 1 . 2]" 1
35 1 3 CYS HB2 1 4 LEU H 1.800 . 4.000 3.154 2.429 3.946 . 0 0 "[ . 1 . 2]" 1
36 1 3 CYS HA 1 4 LEU HA 1.800 . 4.500 4.368 4.347 4.410 . 0 0 "[ . 1 . 2]" 1
37 1 3 CYS H 1 11 GLY H 1.800 . 3.500 3.372 3.189 3.505 0.005 8 0 "[ . 1 . 2]" 1
38 1 3 CYS H 1 11 GLY HA3 1.800 . 5.000 4.096 3.840 4.286 . 0 0 "[ . 1 . 2]" 1
39 1 3 CYS H 1 11 GLY HA2 1.800 . 5.000 4.762 4.526 4.963 . 0 0 "[ . 1 . 2]" 1
40 1 3 CYS HA 1 11 GLY H 1.800 . 5.000 4.924 4.714 5.011 0.011 15 0 "[ . 1 . 2]" 1
41 1 3 CYS H 1 12 LYS H 1.800 . 4.000 3.901 3.776 4.007 0.007 2 0 "[ . 1 . 2]" 1
42 1 3 CYS H 1 12 LYS HA 1.800 . 2.500 2.478 2.315 2.529 0.029 6 0 "[ . 1 . 2]" 1
43 1 3 CYS H 1 12 LYS QB 1.800 . 5.000 4.480 4.205 4.608 . 0 0 "[ . 1 . 2]" 1
44 1 3 CYS HB3 1 12 LYS HA 1.800 . 6.000 4.305 3.599 4.731 . 0 0 "[ . 1 . 2]" 1
45 1 3 CYS HB2 1 12 LYS HA 1.800 . 6.000 5.165 3.984 5.844 . 0 0 "[ . 1 . 2]" 1
46 1 3 CYS QB 1 12 LYS HA 1.800 . 4.500 4.090 3.459 4.521 0.021 18 0 "[ . 1 . 2]" 1
47 1 3 CYS H 1 13 CYS H 1.800 . 4.500 3.630 3.501 3.821 . 0 0 "[ . 1 . 2]" 1
48 1 3 CYS H 1 13 CYS HB3 1.800 . 5.000 4.835 4.641 5.019 0.019 18 0 "[ . 1 . 2]" 1
49 1 3 CYS H 1 13 CYS HB2 1.800 . 5.000 4.059 3.661 4.388 . 0 0 "[ . 1 . 2]" 1
50 1 3 CYS HB3 1 13 CYS H 1.800 . 5.500 4.040 3.679 4.469 . 0 0 "[ . 1 . 2]" 1
51 1 3 CYS HB2 1 13 CYS H 1.800 . 5.500 4.808 3.618 5.514 0.014 14 0 "[ . 1 . 2]" 1
52 1 3 CYS QB 1 13 CYS H 1.800 . 4.500 3.749 3.441 3.990 . 0 0 "[ . 1 . 2]" 1
53 1 3 CYS QB 1 13 CYS HA 1.800 . 4.500 3.716 3.188 4.239 . 0 0 "[ . 1 . 2]" 1
54 1 3 CYS QB 1 13 CYS QB 1.800 . 5.000 1.962 1.882 2.226 . 0 0 "[ . 1 . 2]" 1
55 1 3 CYS QB 1 52 CYS HA 1.800 . 4.500 3.725 3.057 4.508 0.008 5 0 "[ . 1 . 2]" 1
56 1 3 CYS QB 1 52 CYS QB 1.800 . 5.000 3.190 2.319 4.102 . 0 0 "[ . 1 . 2]" 1
57 1 3 CYS QB 1 53 CYS H 1.800 . 5.500 4.486 3.209 5.507 0.007 4 0 "[ . 1 . 2]" 1
58 1 4 LEU H 1 4 LEU HA 1.800 . 3.000 2.933 2.919 2.949 . 0 0 "[ . 1 . 2]" 1
59 1 4 LEU H 1 4 LEU QB 1.800 . 3.500 2.280 2.212 2.358 . 0 0 "[ . 1 . 2]" 1
60 1 4 LEU H 1 4 LEU HG 1.800 . 4.500 3.837 3.512 4.469 . 0 0 "[ . 1 . 2]" 1
61 1 4 LEU H 1 4 LEU MD1 1.800 . 5.500 2.716 2.185 3.297 . 0 0 "[ . 1 . 2]" 1
62 1 4 LEU H 1 4 LEU MD2 1.800 . 5.500 4.392 4.115 4.541 . 0 0 "[ . 1 . 2]" 1
63 1 4 LEU HA 1 4 LEU QD 1.800 . 6.000 2.873 2.542 2.991 . 0 0 "[ . 1 . 2]" 1
64 1 4 LEU H 1 5 THR H 1.800 . 4.500 4.409 4.325 4.453 . 0 0 "[ . 1 . 2]" 1
65 1 4 LEU HA 1 5 THR H 1.800 . 2.500 2.138 2.132 2.146 . 0 0 "[ . 1 . 2]" 1
66 1 4 LEU HB2 1 5 THR H 1.800 . 4.500 4.396 4.339 4.497 . 0 0 "[ . 1 . 2]" 1
67 1 4 LEU HB3 1 5 THR H 1.800 . 4.500 3.440 3.364 3.620 . 0 0 "[ . 1 . 2]" 1
68 1 4 LEU HG 1 5 THR H 1.800 . 5.000 4.045 3.502 4.285 . 0 0 "[ . 1 . 2]" 1
69 1 4 LEU MD1 1 5 THR H 1.800 . 6.000 4.895 4.381 5.179 . 0 0 "[ . 1 . 2]" 1
70 1 4 LEU MD2 1 5 THR H 1.800 . 6.000 4.346 3.569 4.919 . 0 0 "[ . 1 . 2]" 1
71 1 4 LEU HA 1 5 THR HA 1.800 . 4.500 4.372 4.362 4.378 . 0 0 "[ . 1 . 2]" 1
72 1 4 LEU HA 1 5 THR MG 1.800 . 5.500 3.871 3.475 4.460 . 0 0 "[ . 1 . 2]" 1
73 1 4 LEU HA 1 8 ASN HA 1.800 . 4.000 4.021 4.011 4.038 0.038 7 0 "[ . 1 . 2]" 1
74 1 4 LEU HB3 1 8 ASN HA 1.800 . 4.500 2.320 2.051 2.770 . 0 0 "[ . 1 . 2]" 1
75 1 4 LEU HB2 1 8 ASN HA 1.800 . 4.500 4.025 3.735 4.329 . 0 0 "[ . 1 . 2]" 1
76 1 4 LEU QB 1 8 ASN HA 1.800 . 4.000 2.305 2.042 2.740 . 0 0 "[ . 1 . 2]" 1
77 1 4 LEU HG 1 8 ASN HA 1.800 . 4.500 3.939 2.842 4.370 . 0 0 "[ . 1 . 2]" 1
78 1 4 LEU QD 1 8 ASN H 1.800 . 6.000 4.246 3.808 4.711 . 0 0 "[ . 1 . 2]" 1
79 1 4 LEU QD 1 8 ASN HA 1.800 . 6.000 2.348 1.923 2.915 . 0 0 "[ . 1 . 2]" 1
80 1 4 LEU QD 1 8 ASN QB 1.800 . 6.000 2.718 2.290 3.500 . 0 0 "[ . 1 . 2]" 1
81 1 4 LEU HA 1 9 LYS H 1.800 . 4.000 3.984 3.799 4.009 0.009 8 0 "[ . 1 . 2]" 1
82 1 4 LEU QD 1 9 LYS H 1.800 . 6.000 4.020 3.272 4.567 . 0 0 "[ . 1 . 2]" 1
83 1 4 LEU HA 1 10 PRO HA 1.800 . 3.500 3.435 3.117 3.513 0.013 1 0 "[ . 1 . 2]" 1
84 1 4 LEU HG 1 10 PRO HA 1.800 . 3.500 3.363 2.629 3.511 0.011 17 0 "[ . 1 . 2]" 1
85 1 4 LEU HA 1 11 GLY H 1.800 . 3.500 3.445 3.306 3.515 0.015 4 0 "[ . 1 . 2]" 1
86 1 4 LEU QD 1 11 GLY H 1.800 . 6.000 4.359 3.626 4.701 . 0 0 "[ . 1 . 2]" 1
87 1 5 THR H 1 5 THR HA 1.800 . 3.000 2.824 2.804 2.863 . 0 0 "[ . 1 . 2]" 1
88 1 5 THR H 1 5 THR HB 1.800 . 4.000 3.550 3.447 3.595 . 0 0 "[ . 1 . 2]" 1
89 1 5 THR H 1 5 THR MG 1.800 . 4.500 2.354 1.954 2.934 . 0 0 "[ . 1 . 2]" 1
90 1 5 THR H 1 6 PRO QD 1.800 . 5.000 4.391 4.360 4.420 . 0 0 "[ . 1 . 2]" 1
91 1 5 THR HA 1 6 PRO HA 1.800 . 4.500 4.404 4.398 4.414 . 0 0 "[ . 1 . 2]" 1
92 1 5 THR HA 1 6 PRO QG 1.800 . 5.000 4.064 4.001 4.183 . 0 0 "[ . 1 . 2]" 1
93 1 5 THR HA 1 6 PRO QD 1.800 . 3.000 2.201 2.138 2.307 . 0 0 "[ . 1 . 2]" 1
94 1 5 THR HB 1 6 PRO QG 1.800 . 5.000 3.597 3.062 3.930 . 0 0 "[ . 1 . 2]" 1
95 1 5 THR HB 1 6 PRO QD 1.800 . 4.000 1.841 1.791 1.938 0.009 7 0 "[ . 1 . 2]" 1
96 1 5 THR MG 1 6 PRO QD 1.800 . 5.500 2.857 2.121 3.312 . 0 0 "[ . 1 . 2]" 1
97 1 5 THR H 1 7 ASP H 1.800 . 5.000 4.701 4.608 4.999 . 0 0 "[ . 1 . 2]" 1
98 1 5 THR HA 1 7 ASP H 1.800 . 4.500 4.187 4.118 4.364 . 0 0 "[ . 1 . 2]" 1
99 1 5 THR HB 1 7 ASP H 1.800 . 4.000 2.835 2.390 3.356 . 0 0 "[ . 1 . 2]" 1
100 1 5 THR H 1 8 ASN H 1.800 . 4.000 3.972 3.748 4.020 0.020 11 0 "[ . 1 . 2]" 1
101 1 5 THR H 1 8 ASN HA 1.800 . 4.000 3.832 3.680 3.947 . 0 0 "[ . 1 . 2]" 1
102 1 5 THR HA 1 8 ASN H 1.800 . 4.500 4.498 4.339 4.528 0.028 12 0 "[ . 1 . 2]" 1
103 1 5 THR HB 1 8 ASN H 1.800 . 4.500 4.236 3.531 4.538 0.038 6 0 "[ . 1 . 2]" 1
104 1 5 THR MG 1 8 ASN H 1.800 . 5.500 4.813 4.408 5.010 . 0 0 "[ . 1 . 2]" 1
105 1 5 THR H 1 9 LYS H 1.800 . 3.500 2.625 2.410 2.803 . 0 0 "[ . 1 . 2]" 1
106 1 5 THR H 1 9 LYS QB 1.800 . 5.000 3.611 3.041 4.715 . 0 0 "[ . 1 . 2]" 1
107 1 5 THR HB 1 9 LYS H 1.800 . 5.000 3.829 3.393 4.629 . 0 0 "[ . 1 . 2]" 1
108 1 5 THR MG 1 9 LYS H 1.800 . 5.500 3.587 2.937 4.198 . 0 0 "[ . 1 . 2]" 1
109 1 5 THR MG 1 9 LYS QB 1.800 . 5.000 2.796 1.950 3.809 . 0 0 "[ . 1 . 2]" 1
110 1 5 THR H 1 10 PRO HA 1.800 . 4.500 4.478 4.281 4.523 0.023 18 0 "[ . 1 . 2]" 1
111 1 5 THR H 1 11 GLY H 1.800 . 4.500 4.323 4.071 4.507 0.007 6 0 "[ . 1 . 2]" 1
112 1 5 THR MG 1 11 GLY H 1.800 . 4.500 4.337 3.962 4.513 0.013 8 0 "[ . 1 . 2]" 1
113 1 5 THR MG 1 11 GLY HA3 1.800 . 5.500 3.235 2.832 4.133 . 0 0 "[ . 1 . 2]" 1
114 1 5 THR MG 1 11 GLY HA2 1.800 . 5.500 4.450 3.932 5.392 . 0 0 "[ . 1 . 2]" 1
115 1 5 THR HA 1 41 SER HA 1.800 . 5.000 4.438 3.695 4.882 . 0 0 "[ . 1 . 2]" 1
116 1 5 THR HA 1 52 CYS QB 1.800 . 5.000 3.799 2.946 4.734 . 0 0 "[ . 1 . 2]" 1
117 1 5 THR MG 1 54 GLY H 1.800 . 5.000 3.109 2.554 3.627 . 0 0 "[ . 1 . 2]" 1
118 1 5 THR MG 1 54 GLY HA3 1.800 . 5.000 2.404 1.844 3.719 . 0 0 "[ . 1 . 2]" 1
119 1 5 THR MG 1 54 GLY HA2 1.800 . 5.000 3.615 2.853 4.536 . 0 0 "[ . 1 . 2]" 1
120 1 6 PRO HA 1 6 PRO QD 1.800 . 4.000 3.279 3.119 3.368 . 0 0 "[ . 1 . 2]" 1
121 1 6 PRO HA 1 7 ASP H 1.800 . 3.500 3.498 3.491 3.525 0.025 18 0 "[ . 1 . 2]" 1
122 1 6 PRO QB 1 7 ASP H 1.800 . 4.500 2.959 2.579 3.219 . 0 0 "[ . 1 . 2]" 1
123 1 6 PRO QG 1 7 ASP H 1.800 . 4.500 3.549 2.792 4.002 . 0 0 "[ . 1 . 2]" 1
124 1 6 PRO HA 1 8 ASN H 1.800 . 4.000 3.747 3.677 4.007 0.007 18 0 "[ . 1 . 2]" 1
125 1 6 PRO QD 1 41 SER HA 1.800 . 4.500 3.171 2.230 3.924 . 0 0 "[ . 1 . 2]" 1
126 1 7 ASP H 1 7 ASP HA 1.800 . 3.000 2.917 2.863 2.929 . 0 0 "[ . 1 . 2]" 1
127 1 7 ASP H 1 7 ASP QB 1.800 . 3.500 2.204 2.155 2.575 . 0 0 "[ . 1 . 2]" 1
128 1 7 ASP H 1 8 ASN H 1.800 . 2.500 2.469 2.404 2.501 0.001 7 0 "[ . 1 . 2]" 1
129 1 7 ASP HA 1 8 ASN H 1.800 . 3.500 3.206 3.167 3.400 . 0 0 "[ . 1 . 2]" 1
130 1 7 ASP HB3 1 8 ASN H 1.800 . 4.000 3.969 3.536 4.104 0.104 18 0 "[ . 1 . 2]" 1
131 1 7 ASP HB2 1 8 ASN H 1.800 . 4.000 3.968 3.877 4.005 0.005 18 0 "[ . 1 . 2]" 1
132 1 7 ASP QB 1 9 LYS H 1.800 . 5.000 3.665 3.247 4.411 . 0 0 "[ . 1 . 2]" 1
133 1 7 ASP QB 1 9 LYS QB 1.800 . 5.000 3.213 2.945 3.829 . 0 0 "[ . 1 . 2]" 1
134 1 8 ASN H 1 8 ASN HA 1.800 . 3.000 2.272 2.266 2.306 . 0 0 "[ . 1 . 2]" 1
135 1 8 ASN H 1 9 LYS H 1.800 . 3.500 2.572 2.343 2.667 . 0 0 "[ . 1 . 2]" 1
136 1 8 ASN HA 1 9 LYS H 1.800 . 4.000 2.799 2.691 2.898 . 0 0 "[ . 1 . 2]" 1
137 1 8 ASN HB3 1 9 LYS H 1.800 . 4.500 4.387 4.208 4.513 0.013 1 0 "[ . 1 . 2]" 1
138 1 8 ASN HB2 1 9 LYS H 1.800 . 4.500 4.291 4.116 4.409 . 0 0 "[ . 1 . 2]" 1
139 1 9 LYS H 1 9 LYS HA 1.800 . 3.000 2.932 2.888 2.945 . 0 0 "[ . 1 . 2]" 1
140 1 9 LYS H 1 9 LYS QG 1.800 . 5.000 3.623 2.000 4.112 . 0 0 "[ . 1 . 2]" 1
141 1 9 LYS H 1 10 PRO HD3 1.800 . 6.000 4.700 4.272 5.125 . 0 0 "[ . 1 . 2]" 1
142 1 9 LYS H 1 10 PRO HD2 1.800 . 6.000 5.041 4.761 5.457 . 0 0 "[ . 1 . 2]" 1
143 1 9 LYS H 1 10 PRO QD 1.800 . 5.000 4.297 4.021 4.401 . 0 0 "[ . 1 . 2]" 1
144 1 9 LYS QB 1 10 PRO HD3 1.800 . 4.500 4.048 3.546 4.404 . 0 0 "[ . 1 . 2]" 1
145 1 9 LYS QB 1 10 PRO HD2 1.800 . 4.500 3.406 2.555 4.102 . 0 0 "[ . 1 . 2]" 1
146 1 9 LYS QG 1 10 PRO HD3 1.800 . 5.000 3.661 2.831 4.930 . 0 0 "[ . 1 . 2]" 1
147 1 9 LYS QG 1 10 PRO HD2 1.800 . 5.000 2.803 1.884 4.883 . 0 0 "[ . 1 . 2]" 1
148 1 10 PRO HA 1 10 PRO QD 1.800 . 4.000 3.313 3.181 3.492 . 0 0 "[ . 1 . 2]" 1
149 1 10 PRO HB2 1 11 GLY H 1.800 . 4.000 3.936 3.711 4.047 0.047 4 0 "[ . 1 . 2]" 1
150 1 10 PRO HB3 1 11 GLY H 1.800 . 4.000 3.771 3.590 4.040 0.040 7 0 "[ . 1 . 2]" 1
151 1 10 PRO HA 1 11 GLY H 1.800 . 2.500 2.141 2.122 2.159 . 0 0 "[ . 1 . 2]" 1
152 1 10 PRO HA 1 11 GLY HA3 1.800 . 4.500 4.394 4.379 4.455 . 0 0 "[ . 1 . 2]" 1
153 1 10 PRO HA 1 11 GLY HA2 1.800 . 4.500 4.395 4.380 4.405 . 0 0 "[ . 1 . 2]" 1
154 1 11 GLY H 1 11 GLY HA3 1.800 . 3.000 2.626 2.534 2.671 . 0 0 "[ . 1 . 2]" 1
155 1 11 GLY H 1 11 GLY HA2 1.800 . 3.000 2.926 2.908 2.946 . 0 0 "[ . 1 . 2]" 1
156 1 11 GLY H 1 12 LYS H 1.800 . 4.500 4.241 4.073 4.325 . 0 0 "[ . 1 . 2]" 1
157 1 11 GLY HA2 1 12 LYS H 1.800 . 3.500 2.845 2.739 2.993 . 0 0 "[ . 1 . 2]" 1
158 1 11 GLY HA3 1 12 LYS H 1.800 . 3.500 2.323 2.214 2.413 . 0 0 "[ . 1 . 2]" 1
159 1 11 GLY QA 1 12 LYS H 1.800 . 2.500 2.222 2.158 2.263 . 0 0 "[ . 1 . 2]" 1
160 1 11 GLY HA3 1 12 LYS HA 1.800 . 4.500 4.361 4.348 4.370 . 0 0 "[ . 1 . 2]" 1
161 1 11 GLY HA2 1 12 LYS HA 1.800 . 4.500 4.510 4.500 4.525 0.025 7 0 "[ . 1 . 2]" 1
162 1 11 GLY H 1 54 GLY HA3 1.800 . 5.000 4.950 4.104 5.004 0.004 3 0 "[ . 1 . 2]" 1
163 1 11 GLY H 1 54 GLY HA2 1.800 . 5.000 4.971 4.600 5.077 0.077 7 0 "[ . 1 . 2]" 1
164 1 11 GLY QA 1 54 GLY QA 1.800 . 4.000 2.112 1.827 2.282 . 0 0 "[ . 1 . 2]" 1
165 1 12 LYS H 1 12 LYS HA 1.800 . 3.000 2.936 2.931 2.940 . 0 0 "[ . 1 . 2]" 1
166 1 12 LYS H 1 12 LYS QG 1.800 . 5.000 3.248 2.062 4.197 . 0 0 "[ . 1 . 2]" 1
167 1 12 LYS HA 1 12 LYS QD 1.800 . 5.000 3.724 2.693 4.296 . 0 0 "[ . 1 . 2]" 1
168 1 12 LYS QB 1 12 LYS QE 1.800 . 5.000 3.120 1.978 3.678 . 0 0 "[ . 1 . 2]" 1
169 1 12 LYS H 1 13 CYS H 1.800 . 4.500 4.421 4.405 4.437 . 0 0 "[ . 1 . 2]" 1
170 1 12 LYS HA 1 13 CYS H 1.800 . 2.500 2.277 2.245 2.304 . 0 0 "[ . 1 . 2]" 1
171 1 12 LYS QB 1 13 CYS H 1.800 . 4.000 2.779 2.643 3.267 . 0 0 "[ . 1 . 2]" 1
172 1 12 LYS QG 1 13 CYS H 1.800 . 5.000 3.680 2.349 4.369 . 0 0 "[ . 1 . 2]" 1
173 1 12 LYS HA 1 13 CYS HA 1.800 . 4.500 4.384 4.379 4.393 . 0 0 "[ . 1 . 2]" 1
174 1 12 LYS HA 1 13 CYS QB 1.800 . 5.000 3.999 3.935 4.018 . 0 0 "[ . 1 . 2]" 1
175 1 12 LYS HB3 1 14 VAL QG 1.800 . 6.000 3.501 2.972 4.664 . 0 0 "[ . 1 . 2]" 1
176 1 12 LYS HB2 1 14 VAL QG 1.800 . 6.000 3.722 3.045 4.506 . 0 0 "[ . 1 . 2]" 1
177 1 12 LYS QG 1 14 VAL QG 1.800 . 6.000 3.989 2.812 4.717 . 0 0 "[ . 1 . 2]" 1
178 1 12 LYS H 1 53 CYS H 1.800 . 3.500 3.452 3.356 3.541 0.041 7 0 "[ . 1 . 2]" 1
179 1 12 LYS HA 1 53 CYS H 1.800 . 5.000 4.807 4.731 4.855 . 0 0 "[ . 1 . 2]" 1
180 1 12 LYS H 1 53 CYS HB3 1.800 . 5.000 4.804 4.102 5.014 0.014 10 0 "[ . 1 . 2]" 1
181 1 12 LYS H 1 53 CYS HB2 1.800 . 5.000 4.103 3.484 4.673 . 0 0 "[ . 1 . 2]" 1
182 1 12 LYS H 1 53 CYS QB 1.800 . 4.500 3.868 3.377 4.274 . 0 0 "[ . 1 . 2]" 1
183 1 12 LYS H 1 54 GLY H 1.800 . 5.000 4.465 4.172 4.816 . 0 0 "[ . 1 . 2]" 1
184 1 12 LYS H 1 54 GLY HA3 1.800 . 5.000 3.821 3.132 4.301 . 0 0 "[ . 1 . 2]" 1
185 1 12 LYS H 1 54 GLY HA2 1.800 . 5.000 2.853 2.407 4.770 . 0 0 "[ . 1 . 2]" 1
186 1 12 LYS H 1 54 GLY QA 1.800 . 4.000 2.714 2.372 3.253 . 0 0 "[ . 1 . 2]" 1
187 1 13 CYS H 1 13 CYS HA 1.800 . 3.000 2.943 2.941 2.946 . 0 0 "[ . 1 . 2]" 1
188 1 13 CYS H 1 13 CYS QB 1.800 . 3.500 2.406 2.369 2.437 . 0 0 "[ . 1 . 2]" 1
189 1 13 CYS H 1 14 VAL H 1.800 . 4.500 4.391 4.371 4.420 . 0 0 "[ . 1 . 2]" 1
190 1 13 CYS H 1 14 VAL QG 1.800 . 6.000 3.753 3.588 3.966 . 0 0 "[ . 1 . 2]" 1
191 1 13 CYS HA 1 14 VAL H 1.800 . 2.500 2.144 2.135 2.155 . 0 0 "[ . 1 . 2]" 1
192 1 13 CYS QB 1 14 VAL H 1.800 . 4.500 3.756 3.699 3.771 . 0 0 "[ . 1 . 2]" 1
193 1 13 CYS HA 1 14 VAL QG 1.800 . 6.000 3.304 3.230 3.380 . 0 0 "[ . 1 . 2]" 1
194 1 13 CYS QB 1 43 CYS QB 1.800 . 5.000 3.918 3.414 4.019 . 0 0 "[ . 1 . 2]" 1
195 1 13 CYS HA 1 51 VAL H 1.800 . 5.000 4.773 4.529 4.981 . 0 0 "[ . 1 . 2]" 1
196 1 13 CYS H 1 52 CYS HA 1.800 . 5.000 4.762 4.569 4.921 . 0 0 "[ . 1 . 2]" 1
197 1 13 CYS HA 1 52 CYS H 1.800 . 5.000 4.803 4.674 4.908 . 0 0 "[ . 1 . 2]" 1
198 1 13 CYS HA 1 52 CYS HA 1.800 . 2.500 2.140 2.004 2.289 . 0 0 "[ . 1 . 2]" 1
199 1 13 CYS HA 1 52 CYS HB3 1.800 . 6.000 4.655 4.199 5.297 . 0 0 "[ . 1 . 2]" 1
200 1 13 CYS HA 1 52 CYS HB2 1.800 . 6.000 4.733 3.994 5.193 . 0 0 "[ . 1 . 2]" 1
201 1 13 CYS HA 1 52 CYS QB 1.800 . 5.000 4.089 3.840 4.331 . 0 0 "[ . 1 . 2]" 1
202 1 13 CYS QB 1 52 CYS HA 1.800 . 5.000 3.300 2.775 3.566 . 0 0 "[ . 1 . 2]" 1
203 1 13 CYS H 1 53 CYS H 1.800 . 5.000 4.596 4.468 4.682 . 0 0 "[ . 1 . 2]" 1
204 1 13 CYS HA 1 53 CYS H 1.800 . 3.000 2.707 2.525 2.884 . 0 0 "[ . 1 . 2]" 1
205 1 14 VAL H 1 14 VAL HA 1.800 . 3.000 2.930 2.922 2.947 . 0 0 "[ . 1 . 2]" 1
206 1 14 VAL H 1 14 VAL HB 1.800 . 4.000 3.842 3.773 3.882 . 0 0 "[ . 1 . 2]" 1
207 1 14 VAL H 1 14 VAL MG1 1.800 . 5.000 3.176 3.061 3.340 . 0 0 "[ . 1 . 2]" 1
208 1 14 VAL H 1 14 VAL MG2 1.800 . 5.000 2.186 2.017 2.374 . 0 0 "[ . 1 . 2]" 1
209 1 14 VAL H 1 15 ASN H 1.800 . 4.500 4.421 4.409 4.465 . 0 0 "[ . 1 . 2]" 1
210 1 14 VAL HA 1 15 ASN H 1.800 . 2.500 2.339 2.324 2.344 . 0 0 "[ . 1 . 2]" 1
211 1 14 VAL HA 1 15 ASN HA 1.800 . 4.500 4.299 4.295 4.304 . 0 0 "[ . 1 . 2]" 1
212 1 14 VAL HB 1 15 ASN H 1.800 . 3.000 2.549 2.532 2.595 . 0 0 "[ . 1 . 2]" 1
213 1 14 VAL QG 1 15 ASN H 1.800 . 6.000 3.230 3.184 3.249 . 0 0 "[ . 1 . 2]" 1
214 1 14 VAL QG 1 18 LYS H 1.800 . 6.000 3.776 3.418 4.470 . 0 0 "[ . 1 . 2]" 1
215 1 14 VAL HB 1 18 LYS QB 1.800 . 4.000 2.262 1.927 4.023 0.023 10 0 "[ . 1 . 2]" 1
216 1 14 VAL HB 1 18 LYS QG 1.800 . 5.000 3.109 1.913 4.000 . 0 0 "[ . 1 . 2]" 1
217 1 14 VAL HB 1 18 LYS QD 1.800 . 5.000 3.141 1.865 4.532 . 0 0 "[ . 1 . 2]" 1
218 1 14 VAL QG 1 18 LYS QB 1.800 . 6.000 2.504 2.020 3.945 . 0 0 "[ . 1 . 2]" 1
219 1 14 VAL QG 1 18 LYS QG 1.800 . 6.000 2.735 2.264 3.479 . 0 0 "[ . 1 . 2]" 1
220 1 14 VAL QG 1 18 LYS QD 1.800 . 6.000 2.975 1.981 4.173 . 0 0 "[ . 1 . 2]" 1
221 1 14 VAL HB 1 19 CYS H 1.800 . 4.000 3.822 3.448 4.005 0.005 9 0 "[ . 1 . 2]" 1
222 1 14 VAL QG 1 19 CYS H 1.800 . 5.000 2.540 2.166 3.307 . 0 0 "[ . 1 . 2]" 1
223 1 14 VAL QG 1 19 CYS HA 1.800 . 6.000 2.835 2.381 3.160 . 0 0 "[ . 1 . 2]" 1
224 1 14 VAL QG 1 19 CYS QB 1.800 . 6.000 2.121 1.810 3.146 . 0 0 "[ . 1 . 2]" 1
225 1 14 VAL H 1 51 VAL H 1.800 . 3.500 3.456 3.222 3.513 0.013 13 0 "[ . 1 . 2]" 1
226 1 14 VAL H 1 51 VAL HA 1.800 . 5.500 5.102 4.868 5.193 . 0 0 "[ . 1 . 2]" 1
227 1 14 VAL H 1 51 VAL HB 1.800 . 4.500 3.948 3.602 4.148 . 0 0 "[ . 1 . 2]" 1
228 1 14 VAL H 1 51 VAL QG 1.800 . 6.000 4.264 4.053 4.386 . 0 0 "[ . 1 . 2]" 1
229 1 14 VAL HA 1 51 VAL H 1.800 . 5.000 4.682 4.346 4.911 . 0 0 "[ . 1 . 2]" 1
230 1 14 VAL QG 1 51 VAL QG 1.800 . 6.000 3.752 3.500 3.894 . 0 0 "[ . 1 . 2]" 1
231 1 14 VAL H 1 52 CYS H 1.800 . 5.500 4.950 4.768 5.082 . 0 0 "[ . 1 . 2]" 1
232 1 14 VAL H 1 52 CYS HA 1.800 . 4.000 3.311 3.116 3.501 . 0 0 "[ . 1 . 2]" 1
233 1 14 VAL H 1 53 CYS H 1.800 . 4.000 3.719 3.528 4.002 0.002 7 0 "[ . 1 . 2]" 1
234 1 14 VAL H 1 53 CYS HB3 1.800 . 6.000 6.002 5.946 6.017 0.017 7 0 "[ . 1 . 2]" 1
235 1 14 VAL H 1 53 CYS HB2 1.800 . 6.000 4.448 4.194 4.755 . 0 0 "[ . 1 . 2]" 1
236 1 14 VAL H 1 53 CYS QB 1.800 . 5.000 4.333 4.115 4.583 . 0 0 "[ . 1 . 2]" 1
237 1 14 VAL QG 1 53 CYS H 1.800 . 6.000 3.614 3.144 4.126 . 0 0 "[ . 1 . 2]" 1
238 1 14 VAL QG 1 53 CYS HB3 1.800 . 6.000 3.949 3.664 4.314 . 0 0 "[ . 1 . 2]" 1
239 1 14 VAL QG 1 53 CYS HB2 1.800 . 6.000 2.870 2.546 3.390 . 0 0 "[ . 1 . 2]" 1
240 1 15 ASN H 1 15 ASN HA 1.800 . 3.000 2.771 2.750 2.804 . 0 0 "[ . 1 . 2]" 1
241 1 15 ASN H 1 15 ASN QD 1.800 . 5.000 3.883 2.045 4.720 . 0 0 "[ . 1 . 2]" 1
242 1 15 ASN HA 1 15 ASN QD 1.800 . 5.000 3.199 1.982 4.225 . 0 0 "[ . 1 . 2]" 1
243 1 15 ASN HA 1 16 ILE H 1.800 . 3.000 2.614 2.474 2.764 . 0 0 "[ . 1 . 2]" 1
244 1 15 ASN QB 1 16 ILE H 1.800 . 4.000 2.176 1.928 2.726 . 0 0 "[ . 1 . 2]" 1
245 1 15 ASN H 1 17 LYS H 1.800 . 5.000 4.549 4.321 4.726 . 0 0 "[ . 1 . 2]" 1
246 1 15 ASN HA 1 17 LYS H 1.800 . 4.500 4.223 4.052 4.516 0.016 12 0 "[ . 1 . 2]" 1
247 1 15 ASN QB 1 17 LYS H 1.800 . 3.500 2.493 2.053 3.352 . 0 0 "[ . 1 . 2]" 1
248 1 15 ASN QB 1 17 LYS QD 1.800 . 5.000 3.727 2.440 5.002 0.002 8 0 "[ . 1 . 2]" 1
249 1 15 ASN QB 1 18 LYS H 1.800 . 5.000 4.061 3.413 4.763 . 0 0 "[ . 1 . 2]" 1
250 1 15 ASN HA 1 50 SER HA 1.800 . 3.000 2.346 1.997 2.739 . 0 0 "[ . 1 . 2]" 1
251 1 15 ASN HA 1 51 VAL H 1.800 . 3.500 3.266 2.890 3.501 0.001 5 0 "[ . 1 . 2]" 1
252 1 15 ASN HA 1 51 VAL QG 1.800 . 6.000 3.944 3.424 4.699 . 0 0 "[ . 1 . 2]" 1
253 1 16 ILE H 1 16 ILE HA 1.800 . 3.000 2.907 2.879 2.931 . 0 0 "[ . 1 . 2]" 1
254 1 16 ILE H 1 16 ILE HB 1.800 . 4.000 3.310 2.467 3.706 . 0 0 "[ . 1 . 2]" 1
255 1 16 ILE H 1 16 ILE QG 1.800 . 5.000 2.785 2.067 4.093 . 0 0 "[ . 1 . 2]" 1
256 1 16 ILE H 1 16 ILE MD 1.800 . 5.000 3.969 3.180 4.390 . 0 0 "[ . 1 . 2]" 1
257 1 16 ILE H 1 16 ILE MG 1.800 . 4.000 2.280 1.964 3.805 . 0 0 "[ . 1 . 2]" 1
258 1 16 ILE HA 1 16 ILE MD 1.800 . 4.500 3.424 2.316 4.178 . 0 0 "[ . 1 . 2]" 1
259 1 16 ILE HA 1 16 ILE MG 1.800 . 4.500 2.667 2.159 3.205 . 0 0 "[ . 1 . 2]" 1
260 1 16 ILE H 1 17 LYS H 1.800 . 3.500 2.772 2.427 3.507 0.007 12 0 "[ . 1 . 2]" 1
261 1 16 ILE HA 1 17 LYS H 1.800 . 5.000 3.031 2.564 3.282 . 0 0 "[ . 1 . 2]" 1
262 1 16 ILE HB 1 17 LYS H 1.800 . 5.000 4.455 4.315 4.648 . 0 0 "[ . 1 . 2]" 1
263 1 16 ILE MD 1 17 LYS H 1.800 . 5.000 4.381 3.751 5.016 0.016 17 0 "[ . 1 . 2]" 1
264 1 16 ILE MG 1 17 LYS H 1.800 . 4.000 3.948 3.355 4.175 0.175 7 0 "[ . 1 . 2]" 1
265 1 16 ILE H 1 17 LYS QD 1.800 . 5.000 4.167 2.865 4.886 . 0 0 "[ . 1 . 2]" 1
266 1 16 ILE HA 1 18 LYS H 1.800 . 4.000 3.774 3.521 3.997 . 0 0 "[ . 1 . 2]" 1
267 1 16 ILE HA 1 19 CYS H 1.800 . 4.500 4.249 3.661 4.512 0.012 16 0 "[ . 1 . 2]" 1
268 1 16 ILE HA 1 19 CYS HB3 1.800 . 6.000 4.817 4.323 5.659 . 0 0 "[ . 1 . 2]" 1
269 1 16 ILE HA 1 19 CYS HB2 1.800 . 6.000 4.598 3.177 5.233 . 0 0 "[ . 1 . 2]" 1
270 1 16 ILE HA 1 19 CYS QB 1.800 . 5.000 4.123 3.128 4.664 . 0 0 "[ . 1 . 2]" 1
271 1 16 ILE HA 1 22 LEU QB 1.800 . 5.000 3.800 3.366 4.723 . 0 0 "[ . 1 . 2]" 1
272 1 16 ILE HA 1 22 LEU HG 1.800 . 4.500 3.172 1.992 4.511 0.011 14 0 "[ . 1 . 2]" 1
273 1 16 ILE HA 1 22 LEU QD 1.800 . 6.000 2.954 1.806 3.825 . 0 0 "[ . 1 . 2]" 1
274 1 16 ILE HB 1 22 LEU HG 1.800 . 5.000 3.772 2.351 5.000 0.000 11 0 "[ . 1 . 2]" 1
275 1 16 ILE HB 1 22 LEU QD 1.800 . 6.000 3.111 1.905 4.383 . 0 0 "[ . 1 . 2]" 1
276 1 16 ILE MG 1 22 LEU HG 1.800 . 6.000 4.184 2.778 5.694 . 0 0 "[ . 1 . 2]" 1
277 1 16 ILE MG 1 22 LEU QD 1.800 . 6.000 3.335 1.937 4.552 . 0 0 "[ . 1 . 2]" 1
278 1 16 ILE MG 1 49 ASN QD 1.800 . 6.000 4.075 2.497 5.364 . 0 0 "[ . 1 . 2]" 1
279 1 16 ILE H 1 49 ASN HB3 1.800 . 6.000 4.451 3.378 5.418 . 0 0 "[ . 1 . 2]" 1
280 1 16 ILE H 1 49 ASN HB2 1.800 . 6.000 5.611 3.741 6.013 0.013 1 0 "[ . 1 . 2]" 1
281 1 16 ILE H 1 49 ASN QB 1.800 . 5.000 4.214 3.335 5.003 0.003 13 0 "[ . 1 . 2]" 1
282 1 16 ILE QG 1 49 ASN QB 1.800 . 5.000 3.990 2.276 5.005 0.005 16 0 "[ . 1 . 2]" 1
283 1 16 ILE MD 1 49 ASN QB 1.800 . 6.000 4.679 3.364 5.700 . 0 0 "[ . 1 . 2]" 1
284 1 16 ILE H 1 50 SER HA 1.800 . 4.500 3.845 3.352 4.268 . 0 0 "[ . 1 . 2]" 1
285 1 16 ILE H 1 51 VAL H 1.800 . 5.000 4.897 4.706 5.006 0.006 13 0 "[ . 1 . 2]" 1
286 1 16 ILE H 1 51 VAL QG 1.800 . 6.000 3.793 3.408 4.560 . 0 0 "[ . 1 . 2]" 1
287 1 16 ILE HA 1 51 VAL HB 1.800 . 4.000 3.891 3.710 4.011 0.011 2 0 "[ . 1 . 2]" 1
288 1 16 ILE HA 1 51 VAL QG 1.800 . 6.000 2.568 2.124 2.850 . 0 0 "[ . 1 . 2]" 1
289 1 16 ILE HB 1 51 VAL QG 1.800 . 6.000 3.168 2.376 4.678 . 0 0 "[ . 1 . 2]" 1
290 1 16 ILE QG 1 51 VAL QG 1.800 . 6.000 3.786 2.024 4.401 . 0 0 "[ . 1 . 2]" 1
291 1 16 ILE MG 1 51 VAL QG 1.800 . 6.000 2.502 1.790 4.083 0.010 1 0 "[ . 1 . 2]" 1
292 1 17 LYS H 1 17 LYS HA 1.800 . 3.000 2.910 2.811 2.947 . 0 0 "[ . 1 . 2]" 1
293 1 17 LYS H 1 17 LYS QG 1.800 . 5.000 3.084 1.980 4.299 . 0 0 "[ . 1 . 2]" 1
294 1 17 LYS H 1 17 LYS QD 1.800 . 5.000 3.823 2.717 4.604 . 0 0 "[ . 1 . 2]" 1
295 1 17 LYS HA 1 17 LYS QG 1.800 . 4.000 2.717 2.002 3.367 . 0 0 "[ . 1 . 2]" 1
296 1 17 LYS HA 1 17 LYS QD 1.800 . 5.000 3.848 2.503 4.320 . 0 0 "[ . 1 . 2]" 1
297 1 17 LYS QB 1 17 LYS QE 1.800 . 5.000 3.084 2.349 3.692 . 0 0 "[ . 1 . 2]" 1
298 1 17 LYS H 1 18 LYS H 1.800 . 2.500 2.293 1.963 2.515 0.015 1 0 "[ . 1 . 2]" 1
299 1 17 LYS HA 1 18 LYS H 1.800 . 3.000 2.926 2.704 3.013 0.013 3 0 "[ . 1 . 2]" 1
300 1 17 LYS QB 1 18 LYS H 1.800 . 4.500 3.874 3.690 4.047 . 0 0 "[ . 1 . 2]" 1
301 1 17 LYS QG 1 18 LYS H 1.800 . 5.000 4.207 3.509 4.835 . 0 0 "[ . 1 . 2]" 1
302 1 17 LYS H 1 18 LYS QB 1.800 . 5.000 3.523 3.272 4.078 . 0 0 "[ . 1 . 2]" 1
303 1 17 LYS H 1 19 CYS H 1.800 . 4.000 3.848 3.334 4.030 0.030 19 0 "[ . 1 . 2]" 1
304 1 17 LYS HA 1 19 CYS H 1.800 . 5.000 4.654 4.433 4.897 . 0 0 "[ . 1 . 2]" 1
305 1 18 LYS H 1 18 LYS HA 1.800 . 3.000 2.925 2.857 2.946 . 0 0 "[ . 1 . 2]" 1
306 1 18 LYS H 1 18 LYS QG 1.800 . 5.000 4.016 2.348 4.304 . 0 0 "[ . 1 . 2]" 1
307 1 18 LYS HA 1 18 LYS QD 1.800 . 5.000 3.552 2.193 4.406 . 0 0 "[ . 1 . 2]" 1
308 1 18 LYS QB 1 18 LYS QE 1.800 . 5.000 3.053 2.082 3.656 . 0 0 "[ . 1 . 2]" 1
309 1 18 LYS H 1 19 CYS H 1.800 . 2.500 1.954 1.847 2.109 . 0 0 "[ . 1 . 2]" 1
310 1 18 LYS HA 1 19 CYS H 1.800 . 4.000 3.543 3.523 3.563 . 0 0 "[ . 1 . 2]" 1
311 1 18 LYS QB 1 19 CYS H 1.800 . 4.000 2.610 2.333 3.536 . 0 0 "[ . 1 . 2]" 1
312 1 18 LYS QG 1 19 CYS H 1.800 . 5.000 3.760 1.946 4.215 . 0 0 "[ . 1 . 2]" 1
313 1 18 LYS H 1 19 CYS HB3 1.800 . 5.000 4.451 4.043 4.998 . 0 0 "[ . 1 . 2]" 1
314 1 18 LYS H 1 19 CYS HB2 1.800 . 5.000 4.000 3.529 4.300 . 0 0 "[ . 1 . 2]" 1
315 1 18 LYS H 1 19 CYS QB 1.800 . 4.000 3.691 3.444 3.793 . 0 0 "[ . 1 . 2]" 1
316 1 18 LYS QG 1 19 CYS HA 1.800 . 4.500 4.116 3.165 4.506 0.006 3 0 "[ . 1 . 2]" 1
317 1 19 CYS H 1 19 CYS HA 1.800 . 3.000 2.817 2.750 2.867 . 0 0 "[ . 1 . 2]" 1
318 1 19 CYS H 1 19 CYS QB 1.800 . 3.500 2.174 2.053 2.256 . 0 0 "[ . 1 . 2]" 1
319 1 19 CYS HA 1 21 HIS H 1.800 . 4.500 3.819 3.653 4.095 . 0 0 "[ . 1 . 2]" 1
320 1 19 CYS QB 1 21 HIS H 1.800 . 5.000 3.397 2.534 3.865 . 0 0 "[ . 1 . 2]" 1
321 1 19 CYS H 1 22 LEU QB 1.800 . 5.000 3.831 3.442 4.193 . 0 0 "[ . 1 . 2]" 1
322 1 19 CYS HB3 1 22 LEU H 1.800 . 4.500 2.588 2.304 2.789 . 0 0 "[ . 1 . 2]" 1
323 1 19 CYS HB2 1 22 LEU H 1.800 . 4.500 4.204 3.781 4.501 0.001 7 0 "[ . 1 . 2]" 1
324 1 19 CYS HB3 1 22 LEU QB 1.800 . 5.000 2.518 1.931 3.713 . 0 0 "[ . 1 . 2]" 1
325 1 19 CYS HB2 1 22 LEU QB 1.800 . 5.000 3.699 2.911 4.317 . 0 0 "[ . 1 . 2]" 1
326 1 19 CYS QB 1 22 LEU HG 1.800 . 5.000 3.987 3.562 4.625 . 0 0 "[ . 1 . 2]" 1
327 1 19 CYS QB 1 22 LEU QD 1.800 . 6.000 2.749 1.802 3.755 . 0 0 "[ . 1 . 2]" 1
328 1 19 CYS QB 1 23 ALA H 1.800 . 5.000 4.391 3.966 4.855 . 0 0 "[ . 1 . 2]" 1
329 1 19 CYS HB3 1 51 VAL HB 1.800 . 6.000 4.496 3.811 5.112 . 0 0 "[ . 1 . 2]" 1
330 1 19 CYS HB2 1 51 VAL HB 1.800 . 6.000 3.933 2.829 4.526 . 0 0 "[ . 1 . 2]" 1
331 1 19 CYS QB 1 51 VAL HB 1.800 . 5.000 3.686 2.757 4.166 . 0 0 "[ . 1 . 2]" 1
332 1 19 CYS QB 1 51 VAL QG 1.800 . 6.000 3.571 2.719 3.956 . 0 0 "[ . 1 . 2]" 1
333 1 19 CYS QB 1 53 CYS QB 1.800 . 5.000 3.815 3.376 4.155 . 0 0 "[ . 1 . 2]" 1
334 1 20 THR HA 1 20 THR MG 1.800 . 3.500 2.362 2.064 3.226 . 0 0 "[ . 1 . 2]" 1
335 1 20 THR HA 1 21 HIS H 1.800 . 3.500 3.500 3.486 3.540 0.040 9 0 "[ . 1 . 2]" 1
336 1 20 THR HB 1 21 HIS H 1.800 . 4.000 3.463 2.640 3.994 . 0 0 "[ . 1 . 2]" 1
337 1 20 THR MG 1 21 HIS H 1.800 . 6.000 3.833 2.127 4.227 . 0 0 "[ . 1 . 2]" 1
338 1 20 THR HA 1 22 LEU H 1.800 . 4.500 4.134 3.935 4.500 0.000 8 0 "[ . 1 . 2]" 1
339 1 20 THR HA 1 23 ALA MB 1.800 . 5.000 2.704 2.522 3.078 . 0 0 "[ . 1 . 2]" 1
340 1 20 THR HA 1 23 ALA H 1.800 . 3.500 3.305 3.208 3.495 . 0 0 "[ . 1 . 2]" 1
341 1 20 THR HA 1 24 GLU H 1.800 . 4.500 4.444 4.281 4.512 0.012 18 0 "[ . 1 . 2]" 1
342 1 21 HIS H 1 21 HIS HA 1.800 . 3.000 2.797 2.779 2.827 . 0 0 "[ . 1 . 2]" 1
343 1 21 HIS H 1 22 LEU H 1.800 . 3.000 2.691 2.631 2.775 . 0 0 "[ . 1 . 2]" 1
344 1 21 HIS HA 1 22 LEU H 1.800 . 3.500 3.514 3.499 3.542 0.042 8 0 "[ . 1 . 2]" 1
345 1 21 HIS HB3 1 22 LEU H 1.800 . 4.000 3.228 2.656 3.858 . 0 0 "[ . 1 . 2]" 1
346 1 21 HIS HB2 1 22 LEU H 1.800 . 4.000 3.175 2.617 4.015 0.015 9 0 "[ . 1 . 2]" 1
347 1 21 HIS HA 1 23 ALA H 1.800 . 4.500 4.385 4.321 4.499 . 0 0 "[ . 1 . 2]" 1
348 1 21 HIS HA 1 24 GLU H 1.800 . 3.500 3.461 3.382 3.518 0.018 19 0 "[ . 1 . 2]" 1
349 1 21 HIS HA 1 24 GLU QB 1.800 . 4.000 2.734 2.560 2.893 . 0 0 "[ . 1 . 2]" 1
350 1 21 HIS HA 1 25 ILE H 1.800 . 4.500 4.447 4.044 4.512 0.012 8 0 "[ . 1 . 2]" 1
351 1 22 LEU H 1 22 LEU HA 1.800 . 3.000 2.828 2.797 2.845 . 0 0 "[ . 1 . 2]" 1
352 1 22 LEU H 1 22 LEU QB 1.800 . 4.000 2.105 2.045 2.217 . 0 0 "[ . 1 . 2]" 1
353 1 22 LEU H 1 22 LEU HG 1.800 . 4.500 4.246 3.504 4.506 0.006 17 0 "[ . 1 . 2]" 1
354 1 22 LEU H 1 22 LEU QD 1.800 . 6.000 2.837 1.979 3.759 . 0 0 "[ . 1 . 2]" 1
355 1 22 LEU HA 1 22 LEU HG 1.800 . 4.000 3.338 2.164 3.670 . 0 0 "[ . 1 . 2]" 1
356 1 22 LEU HA 1 22 LEU MD1 1.800 . 5.000 2.360 1.959 3.810 . 0 0 "[ . 1 . 2]" 1
357 1 22 LEU HA 1 22 LEU MD2 1.800 . 5.000 2.470 1.965 3.800 . 0 0 "[ . 1 . 2]" 1
358 1 22 LEU H 1 23 ALA H 1.800 . 3.000 2.601 2.544 2.696 . 0 0 "[ . 1 . 2]" 1
359 1 22 LEU HA 1 23 ALA H 1.800 . 3.500 3.521 3.513 3.533 0.033 2 0 "[ . 1 . 2]" 1
360 1 22 LEU QB 1 23 ALA H 1.800 . 4.000 2.664 2.521 2.753 . 0 0 "[ . 1 . 2]" 1
361 1 22 LEU QD 1 23 ALA H 1.800 . 6.000 3.841 3.443 4.059 . 0 0 "[ . 1 . 2]" 1
362 1 22 LEU H 1 24 GLU H 1.800 . 4.500 4.012 3.915 4.090 . 0 0 "[ . 1 . 2]" 1
363 1 22 LEU HA 1 24 GLU H 1.800 . 4.500 4.182 4.115 4.286 . 0 0 "[ . 1 . 2]" 1
364 1 22 LEU HA 1 25 ILE H 1.800 . 3.500 3.480 3.401 3.518 0.018 2 0 "[ . 1 . 2]" 1
365 1 22 LEU HA 1 25 ILE HB 1.800 . 4.000 3.349 3.042 4.002 0.002 15 0 "[ . 1 . 2]" 1
366 1 22 LEU HA 1 25 ILE QG 1.800 . 5.000 3.552 2.807 4.975 . 0 0 "[ . 1 . 2]" 1
367 1 22 LEU HA 1 25 ILE MD 1.800 . 6.000 3.566 1.938 5.310 . 0 0 "[ . 1 . 2]" 1
368 1 22 LEU HA 1 26 GLU H 1.800 . 4.500 4.324 4.087 4.490 . 0 0 "[ . 1 . 2]" 1
369 1 22 LEU HG 1 51 VAL QG 1.800 . 6.000 3.196 2.404 4.155 . 0 0 "[ . 1 . 2]" 1
370 1 22 LEU QD 1 51 VAL QG 1.800 . 6.000 2.004 1.796 2.549 0.004 11 0 "[ . 1 . 2]" 1
371 1 23 ALA H 1 23 ALA HA 1.800 . 3.000 2.822 2.818 2.825 . 0 0 "[ . 1 . 2]" 1
372 1 23 ALA H 1 23 ALA MB 1.800 . 4.000 2.146 2.096 2.239 . 0 0 "[ . 1 . 2]" 1
373 1 23 ALA H 1 24 GLU H 1.800 . 3.000 2.604 2.592 2.617 . 0 0 "[ . 1 . 2]" 1
374 1 23 ALA MB 1 24 GLU H 1.800 . 4.500 2.759 2.679 2.828 . 0 0 "[ . 1 . 2]" 1
375 1 23 ALA HA 1 24 GLU H 1.800 . 3.500 3.503 3.489 3.508 0.008 20 0 "[ . 1 . 2]" 1
376 1 23 ALA H 1 25 ILE H 1.800 . 4.500 4.233 4.156 4.319 . 0 0 "[ . 1 . 2]" 1
377 1 23 ALA HA 1 25 ILE H 1.800 . 4.500 4.417 4.319 4.509 0.009 15 0 "[ . 1 . 2]" 1
378 1 23 ALA HA 1 26 GLU H 1.800 . 3.500 3.463 3.381 3.520 0.020 8 0 "[ . 1 . 2]" 1
379 1 23 ALA HA 1 26 GLU QB 1.800 . 4.000 2.724 2.484 3.769 . 0 0 "[ . 1 . 2]" 1
380 1 23 ALA HA 1 26 GLU QG 1.800 . 5.000 4.164 1.921 4.762 . 0 0 "[ . 1 . 2]" 1
381 1 23 ALA HA 1 27 GLU H 1.800 . 4.500 4.333 4.062 4.507 0.007 2 0 "[ . 1 . 2]" 1
382 1 24 GLU H 1 24 GLU HA 1.800 . 3.000 2.836 2.820 2.848 . 0 0 "[ . 1 . 2]" 1
383 1 24 GLU H 1 24 GLU QG 1.800 . 5.000 3.443 2.434 4.071 . 0 0 "[ . 1 . 2]" 1
384 1 24 GLU HA 1 24 GLU QG 1.800 . 4.000 2.261 2.006 2.801 . 0 0 "[ . 1 . 2]" 1
385 1 24 GLU H 1 25 ILE H 1.800 . 3.000 2.591 2.534 2.641 . 0 0 "[ . 1 . 2]" 1
386 1 24 GLU HA 1 25 ILE H 1.800 . 3.500 3.525 3.515 3.535 0.035 9 0 "[ . 1 . 2]" 1
387 1 24 GLU QB 1 25 ILE H 1.800 . 4.000 2.632 2.503 2.759 . 0 0 "[ . 1 . 2]" 1
388 1 24 GLU QG 1 25 ILE H 1.800 . 5.000 4.221 3.752 4.466 . 0 0 "[ . 1 . 2]" 1
389 1 24 GLU H 1 26 GLU H 1.800 . 4.500 3.992 3.910 4.150 . 0 0 "[ . 1 . 2]" 1
390 1 24 GLU HA 1 26 GLU H 1.800 . 4.500 4.327 4.261 4.466 . 0 0 "[ . 1 . 2]" 1
391 1 24 GLU HA 1 27 GLU H 1.800 . 3.500 3.499 3.455 3.526 0.026 2 0 "[ . 1 . 2]" 1
392 1 24 GLU HA 1 27 GLU QB 1.800 . 4.000 2.934 2.612 3.907 . 0 0 "[ . 1 . 2]" 1
393 1 25 ILE H 1 25 ILE HA 1.800 . 3.000 2.836 2.825 2.846 . 0 0 "[ . 1 . 2]" 1
394 1 25 ILE H 1 25 ILE HB 1.800 . 3.000 2.608 2.570 2.628 . 0 0 "[ . 1 . 2]" 1
395 1 25 ILE H 1 25 ILE HG12 1.800 . 5.000 3.203 1.994 4.666 . 0 0 "[ . 1 . 2]" 1
396 1 25 ILE H 1 25 ILE HG13 1.800 . 5.000 3.026 1.984 4.681 . 0 0 "[ . 1 . 2]" 1
397 1 25 ILE H 1 25 ILE MG 1.800 . 5.000 3.430 2.029 3.775 . 0 0 "[ . 1 . 2]" 1
398 1 25 ILE HA 1 25 ILE QG 1.800 . 4.000 2.665 2.333 3.019 . 0 0 "[ . 1 . 2]" 1
399 1 25 ILE HA 1 25 ILE MG 1.800 . 4.500 2.511 2.240 3.208 . 0 0 "[ . 1 . 2]" 1
400 1 25 ILE HA 1 25 ILE MD 1.800 . 5.000 3.060 1.964 3.928 . 0 0 "[ . 1 . 2]" 1
401 1 25 ILE H 1 26 GLU H 1.800 . 3.000 2.568 2.533 2.633 . 0 0 "[ . 1 . 2]" 1
402 1 25 ILE HA 1 26 GLU H 1.800 . 3.500 3.511 3.505 3.533 0.033 8 0 "[ . 1 . 2]" 1
403 1 25 ILE HB 1 26 GLU H 1.800 . 4.000 2.975 2.590 3.985 . 0 0 "[ . 1 . 2]" 1
404 1 25 ILE HG13 1 26 GLU H 1.800 . 6.000 4.456 4.007 5.085 . 0 0 "[ . 1 . 2]" 1
405 1 25 ILE HG12 1 26 GLU H 1.800 . 6.000 4.644 4.054 5.129 . 0 0 "[ . 1 . 2]" 1
406 1 25 ILE QG 1 26 GLU H 1.800 . 5.000 3.943 3.782 4.331 . 0 0 "[ . 1 . 2]" 1
407 1 25 ILE MG 1 26 GLU H 1.800 . 5.000 3.353 2.038 3.725 . 0 0 "[ . 1 . 2]" 1
408 1 25 ILE MD 1 26 GLU H 1.800 . 6.000 4.461 3.189 4.964 . 0 0 "[ . 1 . 2]" 1
409 1 25 ILE H 1 27 GLU H 1.800 . 4.500 4.031 3.947 4.126 . 0 0 "[ . 1 . 2]" 1
410 1 25 ILE HA 1 27 GLU H 1.800 . 4.500 4.176 4.019 4.370 . 0 0 "[ . 1 . 2]" 1
411 1 26 GLU H 1 26 GLU HA 1.800 . 3.000 2.835 2.814 2.845 . 0 0 "[ . 1 . 2]" 1
412 1 26 GLU H 1 26 GLU QG 1.800 . 5.000 3.525 1.972 4.015 . 0 0 "[ . 1 . 2]" 1
413 1 26 GLU HA 1 26 GLU QG 1.800 . 4.000 2.259 2.028 3.336 . 0 0 "[ . 1 . 2]" 1
414 1 26 GLU H 1 27 GLU H 1.800 . 3.000 2.556 2.527 2.611 . 0 0 "[ . 1 . 2]" 1
415 1 26 GLU HA 1 27 GLU H 1.800 . 3.500 3.498 3.491 3.511 0.011 16 0 "[ . 1 . 2]" 1
416 1 26 GLU HB3 1 27 GLU H 1.800 . 4.000 3.119 2.804 3.997 . 0 0 "[ . 1 . 2]" 1
417 1 26 GLU HB2 1 27 GLU H 1.800 . 4.000 3.480 2.894 4.000 . 0 0 "[ . 1 . 2]" 1
418 1 26 GLU QG 1 27 GLU H 1.800 . 5.000 4.230 2.186 4.570 . 0 0 "[ . 1 . 2]" 1
419 1 27 GLU H 1 27 GLU HA 1.800 . 3.000 2.869 2.831 2.899 . 0 0 "[ . 1 . 2]" 1
420 1 27 GLU H 1 27 GLU QG 1.800 . 5.000 3.427 2.035 4.070 . 0 0 "[ . 1 . 2]" 1
421 1 27 GLU HA 1 27 GLU QG 1.800 . 4.000 2.314 2.049 3.337 . 0 0 "[ . 1 . 2]" 1
422 1 27 GLU H 1 28 ASP H 1.800 . 4.500 2.440 2.310 2.581 . 0 0 "[ . 1 . 2]" 1
423 1 27 GLU HA 1 28 ASP H 1.800 . 3.500 3.491 3.364 3.522 0.022 13 0 "[ . 1 . 2]" 1
424 1 27 GLU QB 1 28 ASP H 1.800 . 4.500 2.855 2.603 3.476 . 0 0 "[ . 1 . 2]" 1
425 1 27 GLU QG 1 28 ASP H 1.800 . 5.000 4.289 2.205 4.630 . 0 0 "[ . 1 . 2]" 1
426 1 28 ASP H 1 28 ASP HA 1.800 . 3.000 2.872 2.276 2.948 . 0 0 "[ . 1 . 2]" 1
427 1 28 ASP HA 1 29 PRO HA 1.800 . 5.000 4.513 4.393 4.707 . 0 0 "[ . 1 . 2]" 1
428 1 28 ASP HA 1 29 PRO QD 1.800 . 4.000 2.091 1.913 2.304 . 0 0 "[ . 1 . 2]" 1
429 1 28 ASP HB3 1 29 PRO HA 1.800 . 6.000 5.019 4.672 6.057 0.057 20 0 "[ . 1 . 2]" 1
430 1 28 ASP HB2 1 29 PRO HA 1.800 . 6.000 5.587 4.943 5.998 . 0 0 "[ . 1 . 2]" 1
431 1 28 ASP QB 1 29 PRO HA 1.800 . 5.000 4.617 4.495 4.807 . 0 0 "[ . 1 . 2]" 1
432 1 28 ASP QB 1 29 PRO QD 1.800 . 5.000 2.990 1.954 3.863 . 0 0 "[ . 1 . 2]" 1
433 1 29 PRO HA 1 29 PRO QD 1.800 . 4.000 3.383 3.148 3.532 . 0 0 "[ . 1 . 2]" 1
434 1 29 PRO HA 1 30 ILE H 1.800 . 3.000 2.412 2.149 3.002 0.002 12 0 "[ . 1 . 2]" 1
435 1 29 PRO QB 1 30 ILE H 1.800 . 4.500 3.136 1.941 4.008 . 0 0 "[ . 1 . 2]" 1
436 1 29 PRO HA 1 30 ILE MG 1.800 . 6.000 4.532 3.666 5.874 . 0 0 "[ . 1 . 2]" 1
437 1 29 PRO QB 1 30 ILE MG 1.800 . 6.000 4.626 3.572 5.478 . 0 0 "[ . 1 . 2]" 1
438 1 30 ILE H 1 30 ILE HA 1.800 . 3.000 2.862 2.275 2.950 . 0 0 "[ . 1 . 2]" 1
439 1 30 ILE H 1 30 ILE HB 1.800 . 4.000 3.320 2.657 3.942 . 0 0 "[ . 1 . 2]" 1
440 1 30 ILE H 1 30 ILE HG12 1.800 . 5.000 3.543 1.987 4.569 . 0 0 "[ . 1 . 2]" 1
441 1 30 ILE H 1 30 ILE HG13 1.800 . 5.000 3.342 2.097 4.580 . 0 0 "[ . 1 . 2]" 1
442 1 30 ILE H 1 30 ILE QG 1.800 . 4.000 2.840 1.960 4.042 0.042 2 0 "[ . 1 . 2]" 1
443 1 30 ILE H 1 30 ILE MG 1.800 . 5.000 3.099 1.992 3.991 . 0 0 "[ . 1 . 2]" 1
444 1 30 ILE HA 1 30 ILE MG 1.800 . 4.500 2.500 2.114 3.204 . 0 0 "[ . 1 . 2]" 1
445 1 30 ILE HA 1 30 ILE MD 1.800 . 5.000 3.620 2.017 4.170 . 0 0 "[ . 1 . 2]" 1
446 1 30 ILE H 1 31 GLY H 1.800 . 4.500 4.439 4.225 4.559 0.059 16 0 "[ . 1 . 2]" 1
447 1 30 ILE HA 1 31 GLY H 1.800 . 3.000 2.326 2.138 2.597 . 0 0 "[ . 1 . 2]" 1
448 1 30 ILE HB 1 31 GLY H 1.800 . 4.000 3.283 1.988 4.012 0.012 16 0 "[ . 1 . 2]" 1
449 1 30 ILE HG13 1 31 GLY H 1.800 . 5.000 3.885 1.999 4.999 . 0 0 "[ . 1 . 2]" 1
450 1 30 ILE HG12 1 31 GLY H 1.800 . 5.000 4.193 2.364 5.014 0.014 14 0 "[ . 1 . 2]" 1
451 1 30 ILE MG 1 31 GLY H 1.800 . 6.000 3.101 1.915 3.983 . 0 0 "[ . 1 . 2]" 1
452 1 30 ILE MD 1 31 GLY H 1.800 . 6.000 4.116 2.956 5.257 . 0 0 "[ . 1 . 2]" 1
453 1 31 GLY H 1 31 GLY HA3 1.800 . 3.000 2.813 2.551 2.957 . 0 0 "[ . 1 . 2]" 1
454 1 31 GLY H 1 31 GLY HA2 1.800 . 3.000 2.600 2.298 2.950 . 0 0 "[ . 1 . 2]" 1
455 1 32 GLU H 1 32 GLU HA 1.800 . 3.000 2.807 2.775 2.831 . 0 0 "[ . 1 . 2]" 1
456 1 32 GLU H 1 32 GLU QG 1.800 . 5.000 2.801 1.992 4.013 . 0 0 "[ . 1 . 2]" 1
457 1 32 GLU HA 1 33 ASP H 1.800 . 3.500 3.488 3.454 3.505 0.005 17 0 "[ . 1 . 2]" 1
458 1 32 GLU QB 1 33 ASP H 1.800 . 4.000 3.013 2.709 3.529 . 0 0 "[ . 1 . 2]" 1
459 1 32 GLU QG 1 33 ASP H 1.800 . 5.000 3.791 2.013 4.629 . 0 0 "[ . 1 . 2]" 1
460 1 32 GLU HA 1 34 GLU H 1.800 . 4.500 4.041 3.691 4.327 . 0 0 "[ . 1 . 2]" 1
461 1 32 GLU HA 1 35 THR H 1.800 . 3.500 3.343 3.156 3.502 0.002 3 0 "[ . 1 . 2]" 1
462 1 32 GLU HA 1 35 THR HB 1.800 . 4.000 3.425 2.883 4.001 0.001 20 0 "[ . 1 . 2]" 1
463 1 32 GLU HA 1 35 THR MG 1.800 . 5.500 3.980 1.919 4.808 . 0 0 "[ . 1 . 2]" 1
464 1 32 GLU HA 1 36 THR H 1.800 . 4.500 4.393 4.131 4.516 0.016 12 0 "[ . 1 . 2]" 1
465 1 33 ASP H 1 33 ASP HA 1.800 . 3.000 2.821 2.776 2.852 . 0 0 "[ . 1 . 2]" 1
466 1 33 ASP H 1 34 GLU H 1.800 . 3.000 2.604 2.501 2.758 . 0 0 "[ . 1 . 2]" 1
467 1 33 ASP HA 1 34 GLU H 1.800 . 3.500 3.494 3.478 3.541 0.041 10 0 "[ . 1 . 2]" 1
468 1 33 ASP QB 1 34 GLU H 1.800 . 4.000 3.128 2.752 3.572 . 0 0 "[ . 1 . 2]" 1
469 1 33 ASP H 1 35 THR H 1.800 . 4.500 4.158 3.994 4.480 . 0 0 "[ . 1 . 2]" 1
470 1 33 ASP HA 1 35 THR H 1.800 . 4.500 4.292 4.198 4.443 . 0 0 "[ . 1 . 2]" 1
471 1 33 ASP HA 1 36 THR H 1.800 . 3.500 3.443 3.288 3.504 0.004 17 0 "[ . 1 . 2]" 1
472 1 33 ASP HA 1 36 THR HB 1.800 . 3.500 3.086 2.727 3.515 0.015 4 0 "[ . 1 . 2]" 1
473 1 33 ASP HA 1 36 THR MG 1.800 . 5.500 4.103 1.908 4.455 . 0 0 "[ . 1 . 2]" 1
474 1 33 ASP HA 1 37 TYR H 1.800 . 4.500 4.237 3.933 4.495 . 0 0 "[ . 1 . 2]" 1
475 1 34 GLU H 1 34 GLU HA 1.800 . 3.000 2.847 2.820 2.863 . 0 0 "[ . 1 . 2]" 1
476 1 34 GLU H 1 34 GLU QG 1.800 . 5.000 3.418 2.149 4.055 . 0 0 "[ . 1 . 2]" 1
477 1 34 GLU HA 1 34 GLU QG 1.800 . 4.000 2.496 2.093 3.366 . 0 0 "[ . 1 . 2]" 1
478 1 34 GLU H 1 35 THR H 1.800 . 3.000 2.531 2.459 2.646 . 0 0 "[ . 1 . 2]" 1
479 1 34 GLU HA 1 35 THR H 1.800 . 3.500 3.510 3.494 3.531 0.031 12 0 "[ . 1 . 2]" 1
480 1 34 GLU HB3 1 35 THR H 1.800 . 4.000 3.217 2.682 3.976 . 0 0 "[ . 1 . 2]" 1
481 1 34 GLU HB2 1 35 THR H 1.800 . 4.000 3.370 2.712 3.986 . 0 0 "[ . 1 . 2]" 1
482 1 34 GLU QG 1 35 THR H 1.800 . 5.000 4.018 1.904 4.594 . 0 0 "[ . 1 . 2]" 1
483 1 34 GLU H 1 36 THR H 1.800 . 4.500 3.990 3.858 4.083 . 0 0 "[ . 1 . 2]" 1
484 1 34 GLU HA 1 36 THR H 1.800 . 4.500 4.288 4.111 4.411 . 0 0 "[ . 1 . 2]" 1
485 1 34 GLU HA 1 37 TYR H 1.800 . 3.500 3.473 3.370 3.516 0.016 4 0 "[ . 1 . 2]" 1
486 1 34 GLU HA 1 37 TYR QB 1.800 . 4.000 2.744 2.504 2.955 . 0 0 "[ . 1 . 2]" 1
487 1 34 GLU HA 1 38 LEU H 1.800 . 4.500 4.362 4.104 4.507 0.007 8 0 "[ . 1 . 2]" 1
488 1 35 THR H 1 35 THR HA 1.800 . 3.000 2.849 2.839 2.858 . 0 0 "[ . 1 . 2]" 1
489 1 35 THR H 1 35 THR HB 1.800 . 3.500 2.726 2.503 2.956 . 0 0 "[ . 1 . 2]" 1
490 1 35 THR H 1 35 THR MG 1.800 . 5.000 3.479 2.021 3.761 . 0 0 "[ . 1 . 2]" 1
491 1 35 THR H 1 36 THR H 1.800 . 3.000 2.513 2.481 2.558 . 0 0 "[ . 1 . 2]" 1
492 1 35 THR HA 1 36 THR H 1.800 . 3.500 3.503 3.483 3.518 0.018 19 0 "[ . 1 . 2]" 1
493 1 35 THR HB 1 36 THR H 1.800 . 4.000 2.972 2.665 4.011 0.011 3 0 "[ . 1 . 2]" 1
494 1 35 THR MG 1 36 THR H 1.800 . 5.500 3.654 2.015 4.102 . 0 0 "[ . 1 . 2]" 1
495 1 35 THR H 1 37 TYR H 1.800 . 4.500 4.002 3.940 4.075 . 0 0 "[ . 1 . 2]" 1
496 1 35 THR HA 1 37 TYR H 1.800 . 4.500 4.284 4.236 4.410 . 0 0 "[ . 1 . 2]" 1
497 1 35 THR HA 1 38 LEU H 1.800 . 3.500 3.500 3.444 3.528 0.028 10 0 "[ . 1 . 2]" 1
498 1 35 THR HA 1 38 LEU QB 1.800 . 4.000 2.883 2.659 3.582 . 0 0 "[ . 1 . 2]" 1
499 1 35 THR HA 1 38 LEU QD 1.800 . 6.000 3.365 1.869 4.487 . 0 0 "[ . 1 . 2]" 1
500 1 35 THR HA 1 39 LYS H 1.800 . 4.500 4.387 4.101 4.506 0.006 20 0 "[ . 1 . 2]" 1
501 1 36 THR H 1 36 THR HA 1.800 . 3.000 2.852 2.839 2.866 . 0 0 "[ . 1 . 2]" 1
502 1 36 THR H 1 36 THR HB 1.800 . 3.500 2.679 2.427 3.145 . 0 0 "[ . 1 . 2]" 1
503 1 36 THR H 1 36 THR MG 1.800 . 5.000 3.659 2.354 3.765 . 0 0 "[ . 1 . 2]" 1
504 1 36 THR HA 1 36 THR MG 1.800 . 4.000 2.313 1.993 3.218 . 0 0 "[ . 1 . 2]" 1
505 1 36 THR H 1 37 TYR H 1.800 . 3.000 2.504 2.439 2.547 . 0 0 "[ . 1 . 2]" 1
506 1 36 THR HA 1 37 TYR H 1.800 . 3.500 3.505 3.500 3.519 0.019 1 0 "[ . 1 . 2]" 1
507 1 36 THR HB 1 37 TYR H 1.800 . 4.000 2.833 2.667 3.856 . 0 0 "[ . 1 . 2]" 1
508 1 36 THR MG 1 37 TYR H 1.800 . 5.500 3.797 2.277 4.227 . 0 0 "[ . 1 . 2]" 1
509 1 36 THR H 1 38 LEU H 1.800 . 4.500 4.034 3.911 4.151 . 0 0 "[ . 1 . 2]" 1
510 1 36 THR HA 1 38 LEU H 1.800 . 4.500 4.265 4.200 4.458 . 0 0 "[ . 1 . 2]" 1
511 1 36 THR HA 1 39 LYS H 1.800 . 3.500 3.472 3.384 3.511 0.011 19 0 "[ . 1 . 2]" 1
512 1 36 THR HA 1 39 LYS QB 1.800 . 3.500 2.838 2.614 3.077 . 0 0 "[ . 1 . 2]" 1
513 1 36 THR HA 1 40 ASN H 1.800 . 4.500 4.347 4.051 4.507 0.007 17 0 "[ . 1 . 2]" 1
514 1 36 THR MG 1 40 ASN HD21 1.800 . 5.500 3.619 2.101 5.336 . 0 0 "[ . 1 . 2]" 1
515 1 36 THR MG 1 40 ASN HD22 1.800 . 5.500 3.764 2.074 5.419 . 0 0 "[ . 1 . 2]" 1
516 1 37 TYR H 1 37 TYR HA 1.800 . 3.000 2.839 2.827 2.852 . 0 0 "[ . 1 . 2]" 1
517 1 37 TYR H 1 37 TYR QB 1.800 . 3.500 2.119 2.057 2.249 . 0 0 "[ . 1 . 2]" 1
518 1 37 TYR H 1 38 LEU H 1.800 . 3.000 2.552 2.498 2.611 . 0 0 "[ . 1 . 2]" 1
519 1 37 TYR HA 1 38 LEU H 1.800 . 3.500 3.509 3.501 3.532 0.032 10 0 "[ . 1 . 2]" 1
520 1 37 TYR QB 1 38 LEU H 1.800 . 4.000 2.773 2.624 2.853 . 0 0 "[ . 1 . 2]" 1
521 1 37 TYR H 1 39 LYS H 1.800 . 4.500 4.104 3.983 4.235 . 0 0 "[ . 1 . 2]" 1
522 1 37 TYR HA 1 39 LYS H 1.800 . 4.500 4.375 4.271 4.505 0.005 13 0 "[ . 1 . 2]" 1
523 1 37 TYR HA 1 40 ASN H 1.800 . 3.500 3.438 3.303 3.514 0.014 19 0 "[ . 1 . 2]" 1
524 1 37 TYR HA 1 40 ASN QB 1.800 . 4.500 2.717 2.287 4.125 . 0 0 "[ . 1 . 2]" 1
525 1 37 TYR HA 1 40 ASN QD 1.800 . 5.000 3.810 1.905 5.002 0.002 10 0 "[ . 1 . 2]" 1
526 1 37 TYR HA 1 41 SER H 1.800 . 4.500 4.273 3.878 4.509 0.009 8 0 "[ . 1 . 2]" 1
527 1 38 LEU H 1 38 LEU HA 1.800 . 3.000 2.838 2.815 2.852 . 0 0 "[ . 1 . 2]" 1
528 1 38 LEU H 1 38 LEU QB 1.800 . 4.000 2.151 2.045 2.352 . 0 0 "[ . 1 . 2]" 1
529 1 38 LEU H 1 38 LEU HG 1.800 . 5.000 4.069 2.589 4.580 . 0 0 "[ . 1 . 2]" 1
530 1 38 LEU H 1 38 LEU QD 1.800 . 6.000 3.251 2.204 3.745 . 0 0 "[ . 1 . 2]" 1
531 1 38 LEU HA 1 38 LEU HG 1.800 . 4.000 2.694 2.197 3.701 . 0 0 "[ . 1 . 2]" 1
532 1 38 LEU HA 1 38 LEU MD1 1.800 . 5.000 2.875 2.054 3.857 . 0 0 "[ . 1 . 2]" 1
533 1 38 LEU HA 1 38 LEU MD2 1.800 . 5.000 3.245 2.050 4.108 . 0 0 "[ . 1 . 2]" 1
534 1 38 LEU H 1 39 LYS H 1.800 . 3.000 2.570 2.512 2.678 . 0 0 "[ . 1 . 2]" 1
535 1 38 LEU QD 1 39 LYS H 1.800 . 6.000 3.841 2.830 4.176 . 0 0 "[ . 1 . 2]" 1
536 1 38 LEU HA 1 39 LYS H 1.800 . 3.500 3.518 3.503 3.532 0.032 13 0 "[ . 1 . 2]" 1
537 1 38 LEU QB 1 39 LYS H 1.800 . 4.000 2.697 2.557 3.482 . 0 0 "[ . 1 . 2]" 1
538 1 38 LEU HG 1 39 LYS H 1.800 . 5.000 4.623 2.093 5.015 0.015 19 0 "[ . 1 . 2]" 1
539 1 38 LEU H 1 40 ASN H 1.800 . 4.500 3.944 3.866 4.219 . 0 0 "[ . 1 . 2]" 1
540 1 38 LEU HA 1 40 ASN H 1.800 . 4.500 4.187 4.004 4.319 . 0 0 "[ . 1 . 2]" 1
541 1 38 LEU HA 1 41 SER H 1.800 . 3.500 3.400 3.280 3.515 0.015 8 0 "[ . 1 . 2]" 1
542 1 38 LEU HA 1 41 SER QB 1.800 . 4.500 3.286 2.790 4.239 . 0 0 "[ . 1 . 2]" 1
543 1 38 LEU HA 1 51 VAL QG 1.800 . 6.000 3.631 3.199 4.126 . 0 0 "[ . 1 . 2]" 1
544 1 38 LEU QD 1 51 VAL QG 1.800 . 6.000 2.528 1.900 3.283 . 0 0 "[ . 1 . 2]" 1
545 1 39 LYS H 1 39 LYS HA 1.800 . 3.000 2.841 2.812 2.850 . 0 0 "[ . 1 . 2]" 1
546 1 39 LYS H 1 39 LYS QG 1.800 . 5.000 3.236 2.224 4.041 . 0 0 "[ . 1 . 2]" 1
547 1 39 LYS HA 1 39 LYS QG 1.800 . 4.000 2.248 2.003 2.585 . 0 0 "[ . 1 . 2]" 1
548 1 39 LYS HA 1 39 LYS QD 1.800 . 5.000 3.445 2.443 4.093 . 0 0 "[ . 1 . 2]" 1
549 1 39 LYS QB 1 39 LYS QE 1.800 . 5.000 3.201 2.088 3.821 . 0 0 "[ . 1 . 2]" 1
550 1 39 LYS H 1 40 ASN H 1.800 . 3.000 2.536 2.492 2.676 . 0 0 "[ . 1 . 2]" 1
551 1 39 LYS HA 1 40 ASN H 1.800 . 3.500 3.491 3.468 3.529 0.029 19 0 "[ . 1 . 2]" 1
552 1 39 LYS QB 1 40 ASN H 1.800 . 4.000 2.843 2.713 2.969 . 0 0 "[ . 1 . 2]" 1
553 1 39 LYS QG 1 40 ASN H 1.800 . 5.000 4.368 4.001 4.618 . 0 0 "[ . 1 . 2]" 1
554 1 39 LYS HA 1 41 SER H 1.800 . 4.500 4.197 3.887 4.442 . 0 0 "[ . 1 . 2]" 1
555 1 39 LYS HA 1 42 VAL H 1.800 . 4.500 4.395 4.223 4.509 0.009 19 0 "[ . 1 . 2]" 1
556 1 39 LYS HA 1 42 VAL HB 1.800 . 4.500 3.517 2.676 4.521 0.021 3 0 "[ . 1 . 2]" 1
557 1 39 LYS HA 1 42 VAL QG 1.800 . 6.000 2.821 1.832 4.052 . 0 0 "[ . 1 . 2]" 1
558 1 40 ASN H 1 40 ASN HA 1.800 . 3.000 2.873 2.832 2.906 . 0 0 "[ . 1 . 2]" 1
559 1 40 ASN H 1 40 ASN QD 1.800 . 5.000 3.681 2.374 4.551 . 0 0 "[ . 1 . 2]" 1
560 1 40 ASN HA 1 40 ASN QD 1.800 . 5.000 3.440 1.940 4.264 . 0 0 "[ . 1 . 2]" 1
561 1 40 ASN H 1 41 SER H 1.800 . 3.000 2.412 2.281 2.545 . 0 0 "[ . 1 . 2]" 1
562 1 40 ASN HA 1 41 SER H 1.800 . 3.500 3.479 3.445 3.502 0.002 10 0 "[ . 1 . 2]" 1
563 1 40 ASN HB3 1 41 SER H 1.800 . 4.000 3.459 2.977 4.035 0.035 19 0 "[ . 1 . 2]" 1
564 1 40 ASN HB2 1 41 SER H 1.800 . 4.000 3.271 2.815 4.006 0.006 19 0 "[ . 1 . 2]" 1
565 1 40 ASN H 1 42 VAL H 1.800 . 4.500 4.456 4.255 4.512 0.012 8 0 "[ . 1 . 2]" 1
566 1 40 ASN HA 1 42 VAL H 1.800 . 4.500 3.736 3.511 4.074 . 0 0 "[ . 1 . 2]" 1
567 1 41 SER H 1 41 SER HA 1.800 . 3.000 2.930 2.919 2.948 . 0 0 "[ . 1 . 2]" 1
568 1 41 SER H 1 42 VAL H 1.800 . 3.000 2.989 2.893 3.008 0.008 1 0 "[ . 1 . 2]" 1
569 1 41 SER HA 1 42 VAL H 1.800 . 3.000 2.813 2.725 2.905 . 0 0 "[ . 1 . 2]" 1
570 1 41 SER QB 1 42 VAL H 1.800 . 4.500 3.910 3.810 4.071 . 0 0 "[ . 1 . 2]" 1
571 1 41 SER QB 1 51 VAL QG 1.800 . 6.000 2.969 2.081 3.638 . 0 0 "[ . 1 . 2]" 1
572 1 41 SER H 1 52 CYS H 1.800 . 5.500 5.415 5.108 5.504 0.004 19 0 "[ . 1 . 2]" 1
573 1 41 SER HA 1 52 CYS H 1.800 . 5.000 4.346 3.610 4.837 . 0 0 "[ . 1 . 2]" 1
574 1 41 SER QB 1 52 CYS H 1.800 . 4.500 3.138 2.483 3.932 . 0 0 "[ . 1 . 2]" 1
575 1 41 SER HA 1 52 CYS QB 1.800 . 4.000 3.045 2.665 3.501 . 0 0 "[ . 1 . 2]" 1
576 1 41 SER HB3 1 52 CYS QB 1.800 . 5.000 3.366 2.149 4.580 . 0 0 "[ . 1 . 2]" 1
577 1 41 SER HB2 1 52 CYS QB 1.800 . 5.000 3.757 2.011 4.691 . 0 0 "[ . 1 . 2]" 1
578 1 42 VAL H 1 42 VAL HA 1.800 . 3.000 2.909 2.844 2.948 . 0 0 "[ . 1 . 2]" 1
579 1 42 VAL H 1 42 VAL HB 1.800 . 4.000 2.957 2.600 3.657 . 0 0 "[ . 1 . 2]" 1
580 1 42 VAL H 1 42 VAL MG1 1.800 . 5.000 2.263 1.946 3.837 . 0 0 "[ . 1 . 2]" 1
581 1 42 VAL H 1 42 VAL MG2 1.800 . 5.000 3.281 1.937 3.898 . 0 0 "[ . 1 . 2]" 1
582 1 42 VAL H 1 43 CYS H 1.800 . 4.500 4.526 4.459 4.575 0.075 15 0 "[ . 1 . 2]" 1
583 1 42 VAL HA 1 43 CYS H 1.800 . 2.500 2.227 2.142 2.523 0.023 6 0 "[ . 1 . 2]" 1
584 1 42 VAL HB 1 43 CYS H 1.800 . 4.500 3.764 2.109 4.220 . 0 0 "[ . 1 . 2]" 1
585 1 42 VAL MG1 1 43 CYS H 1.800 . 5.500 3.617 1.905 3.960 . 0 0 "[ . 1 . 2]" 1
586 1 42 VAL MG2 1 43 CYS H 1.800 . 5.500 2.685 1.942 3.981 . 0 0 "[ . 1 . 2]" 1
587 1 42 VAL H 1 44 ALA H 1.800 . 5.000 4.712 4.282 5.000 0.000 4 0 "[ . 1 . 2]" 1
588 1 42 VAL HA 1 44 ALA H 1.800 . 4.500 4.182 3.811 4.526 0.026 3 0 "[ . 1 . 2]" 1
589 1 42 VAL HA 1 51 VAL HA 1.800 . 3.500 2.505 1.971 2.924 . 0 0 "[ . 1 . 2]" 1
590 1 42 VAL HB 1 51 VAL HA 1.800 . 5.000 4.670 3.678 5.007 0.007 18 0 "[ . 1 . 2]" 1
591 1 42 VAL H 1 52 CYS H 1.800 . 5.500 4.785 4.114 5.269 . 0 0 "[ . 1 . 2]" 1
592 1 42 VAL HA 1 52 CYS H 1.800 . 4.000 3.315 2.285 3.935 . 0 0 "[ . 1 . 2]" 1
593 1 42 VAL HA 1 52 CYS QB 1.800 . 5.000 4.151 3.384 4.921 . 0 0 "[ . 1 . 2]" 1
594 1 43 CYS H 1 43 CYS HA 1.800 . 3.000 2.898 2.843 2.927 . 0 0 "[ . 1 . 2]" 1
595 1 43 CYS QB 1 44 ALA H 1.800 . 4.500 3.845 3.625 3.985 . 0 0 "[ . 1 . 2]" 1
596 1 43 CYS HA 1 44 ALA H 1.800 . 3.000 2.774 2.503 3.081 0.081 15 0 "[ . 1 . 2]" 1
597 1 43 CYS H 1 44 ALA H 1.800 . 5.000 3.169 2.690 3.713 . 0 0 "[ . 1 . 2]" 1
598 1 43 CYS H 1 50 SER QB 1.800 . 5.000 3.476 2.406 4.465 . 0 0 "[ . 1 . 2]" 1
599 1 43 CYS H 1 51 VAL HA 1.800 . 4.000 2.696 1.976 3.741 . 0 0 "[ . 1 . 2]" 1
600 1 43 CYS H 1 52 CYS H 1.800 . 4.500 4.083 3.430 4.507 0.007 15 0 "[ . 1 . 2]" 1
601 1 44 ALA H 1 44 ALA HA 1.800 . 3.000 2.549 2.275 2.863 . 0 0 "[ . 1 . 2]" 1
602 1 44 ALA H 1 44 ALA MB 1.800 . 4.000 2.580 2.026 2.904 . 0 0 "[ . 1 . 2]" 1
603 1 44 ALA H 1 45 GLY H 1.800 . 5.000 3.996 2.729 4.645 . 0 0 "[ . 1 . 2]" 1
604 1 44 ALA HA 1 45 GLY H 1.800 . 3.000 2.467 2.184 2.893 . 0 0 "[ . 1 . 2]" 1
605 1 44 ALA MB 1 45 GLY H 1.800 . 4.500 2.948 1.967 3.721 . 0 0 "[ . 1 . 2]" 1
606 1 45 GLY H 1 45 GLY HA3 1.800 . 3.000 2.718 2.294 2.958 . 0 0 "[ . 1 . 2]" 1
607 1 45 GLY H 1 45 GLY HA2 1.800 . 3.000 2.665 2.294 2.954 . 0 0 "[ . 1 . 2]" 1
608 1 46 PRO HA 1 46 PRO QD 1.800 . 4.000 3.388 3.340 3.477 . 0 0 "[ . 1 . 2]" 1
609 1 46 PRO HA 1 47 GLU H 1.800 . 5.000 3.260 2.149 3.573 . 0 0 "[ . 1 . 2]" 1
610 1 46 PRO QG 1 47 GLU H 1.800 . 5.000 3.291 1.983 4.750 . 0 0 "[ . 1 . 2]" 1
611 1 47 GLU H 1 47 GLU HA 1.800 . 3.000 2.778 2.273 2.948 . 0 0 "[ . 1 . 2]" 1
612 1 47 GLU H 1 47 GLU QG 1.800 . 5.000 3.241 1.988 4.426 . 0 0 "[ . 1 . 2]" 1
613 1 47 GLU H 1 48 ASP H 1.800 . 5.000 3.979 1.991 4.619 . 0 0 "[ . 1 . 2]" 1
614 1 47 GLU HB2 1 48 ASP H 1.800 . 4.500 3.486 1.978 4.346 . 0 0 "[ . 1 . 2]" 1
615 1 47 GLU HB3 1 48 ASP H 1.800 . 4.500 3.038 1.987 4.334 . 0 0 "[ . 1 . 2]" 1
616 1 47 GLU QB 1 48 ASP H 1.800 . 3.500 2.679 1.963 3.532 0.032 3 0 "[ . 1 . 2]" 1
617 1 47 GLU HA 1 48 ASP H 1.800 . 4.000 2.669 2.139 3.574 . 0 0 "[ . 1 . 2]" 1
618 1 48 ASP H 1 48 ASP HA 1.800 . 3.000 2.854 2.272 2.945 . 0 0 "[ . 1 . 2]" 1
619 1 48 ASP QB 1 49 ASN H 1.800 . 4.500 3.148 2.033 4.034 . 0 0 "[ . 1 . 2]" 1
620 1 48 ASP H 1 49 ASN QB 1.800 . 4.500 4.199 3.297 4.542 0.042 15 0 "[ . 1 . 2]" 1
621 1 49 ASN H 1 49 ASN HA 1.800 . 3.000 2.547 2.272 2.942 . 0 0 "[ . 1 . 2]" 1
622 1 49 ASN HA 1 49 ASN QD 1.800 . 5.000 3.285 2.145 4.040 . 0 0 "[ . 1 . 2]" 1
623 1 49 ASN QB 1 50 SER H 1.800 . 5.000 3.598 1.880 4.045 . 0 0 "[ . 1 . 2]" 1
624 1 49 ASN HA 1 50 SER H 1.800 . 3.500 2.659 2.157 3.518 0.018 4 0 "[ . 1 . 2]" 1
625 1 49 ASN H 1 50 SER H 1.800 . 4.000 3.135 1.978 4.038 0.038 17 0 "[ . 1 . 2]" 1
626 1 50 SER H 1 50 SER HA 1.800 . 3.000 2.892 2.272 2.948 . 0 0 "[ . 1 . 2]" 1
627 1 50 SER H 1 51 VAL H 1.800 . 4.500 4.413 4.172 4.549 0.049 11 0 "[ . 1 . 2]" 1
628 1 50 SER H 1 51 VAL QG 1.800 . 6.000 3.896 3.394 4.258 . 0 0 "[ . 1 . 2]" 1
629 1 50 SER HA 1 51 VAL H 1.800 . 2.500 2.312 2.145 2.501 0.001 18 0 "[ . 1 . 2]" 1
630 1 50 SER HA 1 51 VAL HB 1.800 . 5.000 4.681 4.544 4.742 . 0 0 "[ . 1 . 2]" 1
631 1 50 SER HA 1 51 VAL QG 1.800 . 6.000 3.269 3.064 3.524 . 0 0 "[ . 1 . 2]" 1
632 1 50 SER QB 1 51 VAL H 1.800 . 4.000 2.811 2.271 3.463 . 0 0 "[ . 1 . 2]" 1
633 1 51 VAL H 1 51 VAL HA 1.800 . 3.000 2.934 2.919 2.950 . 0 0 "[ . 1 . 2]" 1
634 1 51 VAL H 1 51 VAL HB 1.800 . 3.500 2.872 2.725 2.958 . 0 0 "[ . 1 . 2]" 1
635 1 51 VAL H 1 51 VAL MG1 1.800 . 5.000 3.950 3.885 3.986 . 0 0 "[ . 1 . 2]" 1
636 1 51 VAL H 1 51 VAL MG2 1.800 . 5.000 2.780 2.567 2.928 . 0 0 "[ . 1 . 2]" 1
637 1 51 VAL H 1 52 CYS H 1.800 . 4.500 4.438 4.401 4.499 . 0 0 "[ . 1 . 2]" 1
638 1 51 VAL HA 1 52 CYS H 1.800 . 2.500 2.370 2.321 2.406 . 0 0 "[ . 1 . 2]" 1
639 1 51 VAL HB 1 52 CYS H 1.800 . 4.000 3.522 3.432 3.695 . 0 0 "[ . 1 . 2]" 1
640 1 51 VAL MG1 1 52 CYS H 1.800 . 5.500 1.900 1.866 1.966 . 0 0 "[ . 1 . 2]" 1
641 1 51 VAL MG2 1 52 CYS H 1.800 . 5.500 3.898 3.805 3.946 . 0 0 "[ . 1 . 2]" 1
642 1 51 VAL HA 1 52 CYS QB 1.800 . 5.000 4.155 3.995 4.448 . 0 0 "[ . 1 . 2]" 1
643 1 52 CYS H 1 52 CYS HA 1.800 . 3.000 2.945 2.944 2.947 . 0 0 "[ . 1 . 2]" 1
644 1 52 CYS H 1 53 CYS H 1.800 . 4.500 4.369 4.354 4.443 . 0 0 "[ . 1 . 2]" 1
645 1 52 CYS HA 1 53 CYS H 1.800 . 2.500 2.142 2.130 2.183 . 0 0 "[ . 1 . 2]" 1
646 1 52 CYS QB 1 53 CYS H 1.800 . 4.500 3.468 3.243 3.796 . 0 0 "[ . 1 . 2]" 1
647 1 53 CYS H 1 53 CYS HA 1.800 . 3.000 2.945 2.938 2.949 . 0 0 "[ . 1 . 2]" 1
648 1 53 CYS H 1 54 GLY H 1.800 . 4.500 4.263 4.170 4.440 . 0 0 "[ . 1 . 2]" 1
649 1 53 CYS HA 1 54 GLY H 1.800 . 2.500 2.147 2.142 2.169 . 0 0 "[ . 1 . 2]" 1
650 1 53 CYS QB 1 54 GLY H 1.800 . 4.500 3.342 3.168 3.435 . 0 0 "[ . 1 . 2]" 1
651 1 54 GLY H 1 54 GLY HA3 1.800 . 3.000 2.534 2.429 2.912 . 0 0 "[ . 1 . 2]" 1
652 1 54 GLY H 1 54 GLY HA2 1.800 . 3.000 2.921 2.347 2.958 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 35
_Distance_constraint_stats_list.Viol_count 1
_Distance_constraint_stats_list.Viol_total 0.041
_Distance_constraint_stats_list.Viol_max 0.002
_Distance_constraint_stats_list.Viol_rms 0.0001
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0021
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 LEU 0.002 0.002 20 0 "[ . 1 . 2]"
1 3 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 CYS 0.002 0.002 20 0 "[ . 1 . 2]"
1 14 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 LEU N 1 13 CYS O 2.800 2.400 3.700 3.665 3.578 3.702 0.002 20 0 "[ . 1 . 2]" 2
2 1 1 LEU O 1 13 CYS N 2.800 2.400 3.700 2.570 2.536 2.613 . 0 0 "[ . 1 . 2]" 2
3 1 1 LEU O 1 13 CYS H 1.800 . 2.700 1.632 1.601 1.687 . 0 0 "[ . 1 . 2]" 2
4 1 3 CYS N 1 11 GLY O 2.800 2.400 3.700 3.210 2.969 3.446 . 0 0 "[ . 1 . 2]" 2
5 1 3 CYS H 1 11 GLY O 1.800 . 2.700 2.372 2.060 2.627 . 0 0 "[ . 1 . 2]" 2
6 1 3 CYS O 1 11 GLY N 2.800 2.400 3.700 2.897 2.652 3.101 . 0 0 "[ . 1 . 2]" 2
7 1 3 CYS O 1 11 GLY H 1.800 . 2.700 2.149 1.881 2.327 . 0 0 "[ . 1 . 2]" 2
8 1 12 LYS N 1 53 CYS O 2.800 2.400 3.700 2.683 2.542 2.875 . 0 0 "[ . 1 . 2]" 2
9 1 12 LYS H 1 53 CYS O 1.800 . 2.700 1.745 1.635 2.004 . 0 0 "[ . 1 . 2]" 2
10 1 12 LYS O 1 53 CYS N 2.800 2.400 3.700 2.592 2.514 2.773 . 0 0 "[ . 1 . 2]" 2
11 1 12 LYS O 1 53 CYS H 1.800 . 2.700 1.675 1.624 1.907 . 0 0 "[ . 1 . 2]" 2
12 1 14 VAL N 1 51 VAL O 2.800 2.400 3.700 2.905 2.726 3.037 . 0 0 "[ . 1 . 2]" 2
13 1 14 VAL H 1 51 VAL O 1.800 . 2.700 2.092 1.939 2.212 . 0 0 "[ . 1 . 2]" 2
14 1 14 VAL O 1 51 VAL N 2.800 2.400 3.700 2.968 2.704 3.197 . 0 0 "[ . 1 . 2]" 2
15 1 14 VAL O 1 51 VAL H 1.800 . 2.700 2.111 1.866 2.346 . 0 0 "[ . 1 . 2]" 2
16 1 20 THR O 1 24 GLU N 2.800 2.400 3.700 3.082 2.979 3.211 . 0 0 "[ . 1 . 2]" 2
17 1 20 THR O 1 24 GLU H 1.800 . 2.700 2.224 2.135 2.389 . 0 0 "[ . 1 . 2]" 2
18 1 21 HIS O 1 25 ILE N 2.800 2.400 3.700 3.228 2.929 3.318 . 0 0 "[ . 1 . 2]" 2
19 1 21 HIS O 1 25 ILE H 1.800 . 2.700 2.319 2.006 2.425 . 0 0 "[ . 1 . 2]" 2
20 1 22 LEU O 1 26 GLU N 2.800 2.400 3.700 3.075 2.922 3.193 . 0 0 "[ . 1 . 2]" 2
21 1 22 LEU O 1 26 GLU H 1.800 . 2.700 2.181 2.042 2.310 . 0 0 "[ . 1 . 2]" 2
22 1 23 ALA O 1 27 GLU N 2.800 2.400 3.700 3.136 2.874 3.321 . 0 0 "[ . 1 . 2]" 2
23 1 23 ALA O 1 27 GLU H 1.800 . 2.700 2.317 2.039 2.527 . 0 0 "[ . 1 . 2]" 2
24 1 32 GLU O 1 36 THR N 2.800 2.400 3.700 3.113 2.989 3.287 . 0 0 "[ . 1 . 2]" 2
25 1 32 GLU O 1 36 THR H 1.800 . 2.700 2.234 2.077 2.408 . 0 0 "[ . 1 . 2]" 2
26 1 33 ASP O 1 37 TYR N 2.800 2.400 3.700 3.110 2.813 3.297 . 0 0 "[ . 1 . 2]" 2
27 1 33 ASP O 1 37 TYR H 1.800 . 2.700 2.255 1.974 2.433 . 0 0 "[ . 1 . 2]" 2
28 1 34 GLU O 1 38 LEU N 2.800 2.400 3.700 3.220 3.003 3.371 . 0 0 "[ . 1 . 2]" 2
29 1 34 GLU O 1 38 LEU H 1.800 . 2.700 2.357 2.155 2.484 . 0 0 "[ . 1 . 2]" 2
30 1 35 THR O 1 39 LYS N 2.800 2.400 3.700 3.254 3.064 3.425 . 0 0 "[ . 1 . 2]" 2
31 1 35 THR O 1 39 LYS H 1.800 . 2.700 2.359 2.187 2.547 . 0 0 "[ . 1 . 2]" 2
32 1 36 THR O 1 40 ASN N 2.800 2.400 3.700 3.113 2.902 3.335 . 0 0 "[ . 1 . 2]" 2
33 1 36 THR O 1 40 ASN H 1.800 . 2.700 2.293 2.048 2.455 . 0 0 "[ . 1 . 2]" 2
34 1 37 TYR O 1 41 SER N 2.800 2.400 3.700 3.004 2.641 3.272 . 0 0 "[ . 1 . 2]" 2
35 1 37 TYR O 1 41 SER H 1.800 . 2.700 2.218 1.800 2.471 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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