NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
513002 |
2lek   |
16377 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lek
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 1010
_Distance_constraint_stats_list.Viol_count 408
_Distance_constraint_stats_list.Viol_total 615.276
_Distance_constraint_stats_list.Viol_max 0.319
_Distance_constraint_stats_list.Viol_rms 0.0134
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0015
_Distance_constraint_stats_list.Viol_average_violations_only 0.0754
_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 MET 3.273 0.224 9 0 "[ . 1 . 2]"
1 2 LEU 0.165 0.055 8 0 "[ . 1 . 2]"
1 3 VAL 0.222 0.111 6 0 "[ . 1 . 2]"
1 4 THR 0.505 0.152 6 0 "[ . 1 . 2]"
1 5 ILE 0.624 0.262 8 0 "[ . 1 . 2]"
1 6 ASN 0.573 0.162 16 0 "[ . 1 . 2]"
1 7 GLY 0.066 0.053 6 0 "[ . 1 . 2]"
1 8 GLU 1.351 0.262 8 0 "[ . 1 . 2]"
1 9 GLN 1.266 0.188 15 0 "[ . 1 . 2]"
1 10 ARG 2.072 0.265 8 0 "[ . 1 . 2]"
1 11 GLU 1.646 0.265 8 0 "[ . 1 . 2]"
1 12 VAL 1.226 0.208 18 0 "[ . 1 . 2]"
1 13 GLN 0.079 0.072 6 0 "[ . 1 . 2]"
1 14 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ALA 0.245 0.071 12 0 "[ . 1 . 2]"
1 16 SER 1.036 0.101 12 0 "[ . 1 . 2]"
1 17 VAL 0.264 0.095 4 0 "[ . 1 . 2]"
1 18 ALA 0.130 0.098 3 0 "[ . 1 . 2]"
1 19 ALA 0.241 0.083 9 0 "[ . 1 . 2]"
1 20 LEU 0.732 0.171 17 0 "[ . 1 . 2]"
1 21 MET 0.545 0.179 5 0 "[ . 1 . 2]"
1 22 THR 0.521 0.177 8 0 "[ . 1 . 2]"
1 23 GLU 0.898 0.171 17 0 "[ . 1 . 2]"
1 24 LEU 1.020 0.177 8 0 "[ . 1 . 2]"
1 25 ASP 0.061 0.061 20 0 "[ . 1 . 2]"
1 26 CYS 0.145 0.061 9 0 "[ . 1 . 2]"
1 27 THR 0.755 0.151 2 0 "[ . 1 . 2]"
1 28 ASP 0.802 0.154 8 0 "[ . 1 . 2]"
1 29 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 HIS 0.306 0.111 2 0 "[ . 1 . 2]"
1 31 TYR 1.635 0.204 19 0 "[ . 1 . 2]"
1 32 ALA 0.483 0.102 13 0 "[ . 1 . 2]"
1 33 VAL 0.352 0.095 4 0 "[ . 1 . 2]"
1 34 ALA 1.551 0.207 13 0 "[ . 1 . 2]"
1 35 LEU 0.547 0.157 14 0 "[ . 1 . 2]"
1 36 ASN 1.039 0.187 12 0 "[ . 1 . 2]"
1 37 TYR 0.836 0.187 12 0 "[ . 1 . 2]"
1 38 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 VAL 2.188 0.154 13 0 "[ . 1 . 2]"
1 40 VAL 0.842 0.154 13 0 "[ . 1 . 2]"
1 41 PRO 0.799 0.229 14 0 "[ . 1 . 2]"
1 42 ARG 0.499 0.319 16 0 "[ . 1 . 2]"
1 43 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 LYS 2.108 0.239 6 0 "[ . 1 . 2]"
1 45 TRP 1.126 0.179 5 0 "[ . 1 . 2]"
1 46 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 GLU 0.017 0.017 14 0 "[ . 1 . 2]"
1 48 THR 0.320 0.164 14 0 "[ . 1 . 2]"
1 49 PRO 0.050 0.045 3 0 "[ . 1 . 2]"
1 50 VAL 0.296 0.101 12 0 "[ . 1 . 2]"
1 51 THR 1.626 0.154 5 0 "[ . 1 . 2]"
1 52 ALA 2.697 0.224 9 0 "[ . 1 . 2]"
1 53 GLY 0.024 0.024 10 0 "[ . 1 . 2]"
1 54 ASP 2.277 0.168 1 0 "[ . 1 . 2]"
1 55 GLU 0.702 0.152 6 0 "[ . 1 . 2]"
1 56 ILE 0.107 0.052 14 0 "[ . 1 . 2]"
1 57 GLU 1.253 0.197 13 0 "[ . 1 . 2]"
1 58 ILE 3.177 0.207 13 0 "[ . 1 . 2]"
1 59 LEU 3.487 0.245 2 0 "[ . 1 . 2]"
1 60 THR 0.593 0.167 8 0 "[ . 1 . 2]"
1 61 PRO 3.125 0.245 2 0 "[ . 1 . 2]"
1 62 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 GLY 0.031 0.031 1 0 "[ . 1 . 2]"
1 66 LEU 1.184 0.220 15 0 "[ . 1 . 2]"
1 67 GLU 0.810 0.220 15 0 "[ . 1 . 2]"
1 68 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 HIS 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 MET HA 1 2 LEU H 1.800 . 3.300 2.242 2.143 2.453 . 0 0 "[ . 1 . 2]" 1
2 1 1 MET HA 1 3 VAL MG1 1.800 . 5.760 4.644 4.059 5.161 . 0 0 "[ . 1 . 2]" 1
3 1 1 MET HA 1 52 ALA MB 1.800 . 4.760 3.221 1.978 4.192 . 0 0 "[ . 1 . 2]" 1
4 1 1 MET QB 1 12 VAL MG2 1.800 . 5.280 3.891 2.100 4.854 . 0 0 "[ . 1 . 2]" 1
5 1 1 MET QB 1 2 LEU H 1.800 . 4.110 3.092 2.381 4.004 . 0 0 "[ . 1 . 2]" 1
6 1 1 MET QB 1 3 VAL MG1 1.800 . 4.870 3.194 2.430 3.967 . 0 0 "[ . 1 . 2]" 1
7 1 1 MET QB 1 52 ALA MB 1.800 . 3.640 2.169 1.785 3.509 0.015 11 0 "[ . 1 . 2]" 1
8 1 1 MET QB 1 52 ALA H 1.800 . 4.600 3.393 2.412 4.590 . 0 0 "[ . 1 . 2]" 1
9 1 1 MET HB3 1 52 ALA HA 1.800 . 5.380 3.903 2.372 5.231 . 0 0 "[ . 1 . 2]" 1
10 1 1 MET HB2 1 52 ALA HA 1.800 . 5.380 2.905 1.776 5.284 0.024 5 0 "[ . 1 . 2]" 1
11 1 1 MET ME 1 12 VAL MG2 1.800 . 4.200 3.396 2.138 4.282 0.082 18 0 "[ . 1 . 2]" 1
12 1 1 MET ME 1 15 ALA HA 1.800 . 3.450 2.552 1.911 3.521 0.071 12 0 "[ . 1 . 2]" 1
13 1 1 MET ME 1 15 ALA H 1.800 . 5.150 3.920 2.194 4.790 . 0 0 "[ . 1 . 2]" 1
14 1 1 MET ME 1 3 VAL MG1 1.800 . 5.250 3.744 2.057 4.585 . 0 0 "[ . 1 . 2]" 1
15 1 1 MET ME 1 50 VAL HB 1.800 . 4.440 3.186 2.137 4.368 . 0 0 "[ . 1 . 2]" 1
16 1 1 MET ME 1 50 VAL MG1 1.800 . 4.290 3.056 1.990 3.765 . 0 0 "[ . 1 . 2]" 1
17 1 1 MET ME 1 50 VAL H 1.800 . 5.070 4.192 3.746 4.642 . 0 0 "[ . 1 . 2]" 1
18 1 1 MET ME 1 51 THR HA 1.800 . 3.940 3.234 2.271 3.977 0.037 6 0 "[ . 1 . 2]" 1
19 1 1 MET ME 1 51 THR H 1.800 . 5.150 4.581 3.640 5.143 . 0 0 "[ . 1 . 2]" 1
20 1 1 MET ME 1 52 ALA HA 1.800 . 4.820 4.485 3.562 5.016 0.196 15 0 "[ . 1 . 2]" 1
21 1 1 MET ME 1 52 ALA MB 1.800 . 4.030 3.963 2.859 4.254 0.224 9 0 "[ . 1 . 2]" 1
22 1 1 MET ME 1 52 ALA H 1.800 . 4.270 3.880 3.056 4.338 0.068 14 0 "[ . 1 . 2]" 1
23 1 1 MET ME 1 1 MET QG 1.800 . 3.740 2.399 2.204 2.552 . 0 0 "[ . 1 . 2]" 1
24 1 1 MET QG 1 12 VAL MG2 1.800 . 3.870 2.908 2.131 4.027 0.157 14 0 "[ . 1 . 2]" 1
25 1 1 MET QG 1 12 VAL H 1.800 . 4.960 4.048 3.136 5.099 0.139 4 0 "[ . 1 . 2]" 1
26 1 1 MET QG 1 2 LEU H 1.800 . 4.640 4.021 3.367 4.535 . 0 0 "[ . 1 . 2]" 1
27 1 1 MET QG 1 3 VAL MG1 1.800 . 5.770 2.453 1.801 4.453 . 0 0 "[ . 1 . 2]" 1
28 1 1 MET QG 1 51 THR HA 1.800 . 6.050 3.910 3.068 5.477 . 0 0 "[ . 1 . 2]" 1
29 1 1 MET QG 1 52 ALA HA 1.800 . 4.430 3.201 2.330 4.500 0.070 14 0 "[ . 1 . 2]" 1
30 1 1 MET QG 1 52 ALA MB 1.800 . 4.030 3.184 1.969 3.996 . 0 0 "[ . 1 . 2]" 1
31 1 1 MET QG 1 52 ALA H 1.800 . 5.190 3.609 2.565 5.004 . 0 0 "[ . 1 . 2]" 1
32 1 2 LEU HA 1 2 LEU QD 1.800 . 3.730 2.387 2.085 3.063 . 0 0 "[ . 1 . 2]" 1
33 1 2 LEU HA 1 3 VAL H 1.800 . 3.000 2.161 2.113 2.225 . 0 0 "[ . 1 . 2]" 1
34 1 2 LEU HB3 1 3 VAL H 1.800 . 6.050 4.338 4.145 4.480 . 0 0 "[ . 1 . 2]" 1
35 1 2 LEU HB2 1 3 VAL H 1.800 . 6.050 4.442 4.279 4.581 . 0 0 "[ . 1 . 2]" 1
36 1 2 LEU QD 1 10 ARG HA 1.800 . 4.940 3.507 2.853 4.713 . 0 0 "[ . 1 . 2]" 1
37 1 2 LEU QD 1 10 ARG H 1.800 . 4.320 3.050 2.544 3.843 . 0 0 "[ . 1 . 2]" 1
38 1 2 LEU QD 1 11 GLU H 1.800 . 4.700 3.493 2.879 4.638 . 0 0 "[ . 1 . 2]" 1
39 1 2 LEU QD 1 3 VAL H 1.800 . 5.360 2.895 2.342 3.220 . 0 0 "[ . 1 . 2]" 1
40 1 2 LEU QD 1 9 GLN HB3 1.800 . 4.580 2.147 1.745 3.955 0.055 8 0 "[ . 1 . 2]" 1
41 1 2 LEU QD 1 9 GLN HB2 1.800 . 4.580 3.007 2.156 3.446 . 0 0 "[ . 1 . 2]" 1
42 1 2 LEU QD 1 9 GLN QE 1.800 . 4.800 3.370 1.881 4.769 . 0 0 "[ . 1 . 2]" 1
43 1 2 LEU QD 1 9 GLN QG 1.800 . 4.030 3.213 2.448 3.958 . 0 0 "[ . 1 . 2]" 1
44 1 2 LEU HG 1 10 ARG H 1.800 . 5.290 4.306 3.607 4.797 . 0 0 "[ . 1 . 2]" 1
45 1 2 LEU HG 1 3 VAL MG2 1.800 . 5.740 5.199 4.900 5.544 . 0 0 "[ . 1 . 2]" 1
46 1 2 LEU HG 1 3 VAL H 1.800 . 4.090 3.616 3.111 4.115 0.025 4 0 "[ . 1 . 2]" 1
47 1 2 LEU H 1 2 LEU QB 1.800 . 3.380 2.276 2.241 2.330 . 0 0 "[ . 1 . 2]" 1
48 1 2 LEU H 1 2 LEU QD 1.800 . 4.710 3.834 3.793 3.878 . 0 0 "[ . 1 . 2]" 1
49 1 2 LEU H 1 2 LEU HG 1.800 . 5.150 4.490 4.412 4.574 . 0 0 "[ . 1 . 2]" 1
50 1 2 LEU H 1 3 VAL MG1 1.800 . 4.820 4.214 3.987 4.423 . 0 0 "[ . 1 . 2]" 1
51 1 2 LEU H 1 52 ALA HA 1.800 . 5.300 3.971 3.508 4.503 . 0 0 "[ . 1 . 2]" 1
52 1 2 LEU H 1 52 ALA MB 1.800 . 4.360 3.108 2.287 4.044 . 0 0 "[ . 1 . 2]" 1
53 1 3 VAL HA 1 3 VAL MG1 1.800 . 3.550 2.389 2.334 2.467 . 0 0 "[ . 1 . 2]" 1
54 1 3 VAL HA 1 3 VAL MG2 1.800 . 4.210 3.271 3.256 3.283 . 0 0 "[ . 1 . 2]" 1
55 1 3 VAL HA 1 4 THR H 1.800 . 3.480 2.390 2.178 2.671 . 0 0 "[ . 1 . 2]" 1
56 1 3 VAL HA 1 53 GLY QA 1.800 . 4.410 3.147 2.036 4.201 . 0 0 "[ . 1 . 2]" 1
57 1 3 VAL HA 1 53 GLY H 1.800 . 3.900 2.371 1.776 3.002 0.024 10 0 "[ . 1 . 2]" 1
58 1 3 VAL HA 1 54 ASP H 1.800 . 4.490 3.278 2.626 3.846 . 0 0 "[ . 1 . 2]" 1
59 1 3 VAL HB 1 4 THR H 1.800 . 3.270 2.663 2.143 3.125 . 0 0 "[ . 1 . 2]" 1
60 1 3 VAL HB 1 5 ILE H 1.800 . 6.050 5.105 4.909 5.381 . 0 0 "[ . 1 . 2]" 1
61 1 3 VAL HB 1 53 GLY H 1.800 . 5.070 4.160 3.572 4.822 . 0 0 "[ . 1 . 2]" 1
62 1 3 VAL HB 1 56 ILE MD 1.800 . 3.950 2.549 1.956 3.860 . 0 0 "[ . 1 . 2]" 1
63 1 3 VAL MG1 1 4 THR H 1.800 . 4.230 3.788 3.595 3.975 . 0 0 "[ . 1 . 2]" 1
64 1 3 VAL MG1 1 51 THR HA 1.800 . 5.400 4.327 3.864 4.806 . 0 0 "[ . 1 . 2]" 1
65 1 3 VAL MG1 1 51 THR HB 1.800 . 5.740 4.994 4.635 5.449 . 0 0 "[ . 1 . 2]" 1
66 1 3 VAL MG1 1 52 ALA HA 1.800 . 3.780 2.355 1.847 2.999 . 0 0 "[ . 1 . 2]" 1
67 1 3 VAL MG1 1 52 ALA H 1.800 . 4.870 4.055 3.544 4.547 . 0 0 "[ . 1 . 2]" 1
68 1 3 VAL MG1 1 53 GLY QA 1.800 . 4.800 3.923 3.492 4.482 . 0 0 "[ . 1 . 2]" 1
69 1 3 VAL MG1 1 53 GLY H 1.800 . 3.770 2.458 2.107 3.098 . 0 0 "[ . 1 . 2]" 1
70 1 3 VAL MG1 1 54 ASP QB 1.800 . 4.200 3.169 2.259 4.311 0.111 6 0 "[ . 1 . 2]" 1
71 1 3 VAL MG1 1 54 ASP H 1.800 . 3.750 2.537 1.825 3.271 . 0 0 "[ . 1 . 2]" 1
72 1 3 VAL MG2 1 10 ARG HA 1.800 . 5.740 5.091 4.625 5.596 . 0 0 "[ . 1 . 2]" 1
73 1 3 VAL MG2 1 10 ARG HB3 1.800 . 5.950 3.654 3.026 4.538 . 0 0 "[ . 1 . 2]" 1
74 1 3 VAL MG2 1 10 ARG HB2 1.800 . 5.950 4.424 2.704 5.616 . 0 0 "[ . 1 . 2]" 1
75 1 3 VAL MG2 1 10 ARG H 1.800 . 4.370 3.499 3.024 3.923 . 0 0 "[ . 1 . 2]" 1
76 1 3 VAL MG2 1 11 GLU HA 1.800 . 6.010 3.936 3.401 4.778 . 0 0 "[ . 1 . 2]" 1
77 1 3 VAL MG2 1 12 VAL H 1.800 . 5.720 3.427 2.927 3.856 . 0 0 "[ . 1 . 2]" 1
78 1 3 VAL MG2 1 4 THR HA 1.800 . 5.590 4.173 3.548 4.650 . 0 0 "[ . 1 . 2]" 1
79 1 3 VAL MG2 1 4 THR H 1.800 . 4.290 3.576 2.968 4.067 . 0 0 "[ . 1 . 2]" 1
80 1 3 VAL MG2 1 5 ILE HB 1.800 . 5.720 4.174 3.960 4.471 . 0 0 "[ . 1 . 2]" 1
81 1 3 VAL MG2 1 5 ILE QG 1.800 . 3.590 1.949 1.822 2.075 . 0 0 "[ . 1 . 2]" 1
82 1 3 VAL MG2 1 5 ILE H 1.800 . 5.080 3.749 3.271 4.071 . 0 0 "[ . 1 . 2]" 1
83 1 3 VAL MG2 1 53 GLY H 1.800 . 5.120 4.686 4.396 5.105 . 0 0 "[ . 1 . 2]" 1
84 1 3 VAL MG2 1 56 ILE HB 1.800 . 4.760 3.716 3.435 4.090 . 0 0 "[ . 1 . 2]" 1
85 1 3 VAL H 1 10 ARG H 1.800 . 3.990 3.332 2.669 3.666 . 0 0 "[ . 1 . 2]" 1
86 1 3 VAL H 1 3 VAL MG1 1.800 . 3.790 2.917 2.567 3.320 . 0 0 "[ . 1 . 2]" 1
87 1 3 VAL H 1 3 VAL MG2 1.800 . 3.400 2.192 2.070 2.376 . 0 0 "[ . 1 . 2]" 1
88 1 3 VAL H 1 4 THR H 1.800 . 5.240 4.455 4.364 4.550 . 0 0 "[ . 1 . 2]" 1
89 1 4 THR HA 1 4 THR MG 1.800 . 3.380 2.410 2.327 2.514 . 0 0 "[ . 1 . 2]" 1
90 1 4 THR HA 1 5 ILE H 1.800 . 3.010 2.209 2.161 2.261 . 0 0 "[ . 1 . 2]" 1
91 1 4 THR HA 1 8 GLU H 1.800 . 5.820 4.393 4.170 4.798 . 0 0 "[ . 1 . 2]" 1
92 1 4 THR HB 1 5 ILE H 1.800 . 4.830 4.447 4.382 4.533 . 0 0 "[ . 1 . 2]" 1
93 1 4 THR HB 1 55 GLU HA 1.800 . 3.610 2.285 1.926 2.785 . 0 0 "[ . 1 . 2]" 1
94 1 4 THR HB 1 55 GLU QB 1.800 . 5.180 3.706 2.910 4.694 . 0 0 "[ . 1 . 2]" 1
95 1 4 THR HB 1 55 GLU QG 1.800 . 4.090 2.968 1.995 4.242 0.152 6 0 "[ . 1 . 2]" 1
96 1 4 THR HB 1 56 ILE H 1.800 . 4.810 3.609 3.109 4.045 . 0 0 "[ . 1 . 2]" 1
97 1 4 THR MG 1 10 ARG H 1.800 . 5.830 4.923 4.431 5.523 . 0 0 "[ . 1 . 2]" 1
98 1 4 THR MG 1 5 ILE H 1.800 . 3.740 3.367 3.191 3.455 . 0 0 "[ . 1 . 2]" 1
99 1 4 THR MG 1 55 GLU QG 1.800 . 4.280 3.128 2.224 4.426 0.146 6 0 "[ . 1 . 2]" 1
100 1 4 THR MG 1 6 ASN H 1.800 . 5.140 4.088 3.583 4.518 . 0 0 "[ . 1 . 2]" 1
101 1 4 THR MG 1 7 GLY QA 1.800 . 3.590 2.381 2.146 2.768 . 0 0 "[ . 1 . 2]" 1
102 1 4 THR MG 1 7 GLY H 1.800 . 3.560 2.429 2.144 2.680 . 0 0 "[ . 1 . 2]" 1
103 1 4 THR MG 1 8 GLU HA 1.800 . 4.990 3.827 3.403 4.387 . 0 0 "[ . 1 . 2]" 1
104 1 4 THR MG 1 8 GLU H 1.800 . 3.960 3.177 2.837 3.553 . 0 0 "[ . 1 . 2]" 1
105 1 4 THR MG 1 9 GLN HA 1.800 . 3.770 3.377 2.919 3.850 0.080 8 0 "[ . 1 . 2]" 1
106 1 4 THR MG 1 9 GLN QG 1.800 . 4.200 3.056 2.240 4.241 0.041 16 0 "[ . 1 . 2]" 1
107 1 4 THR MG 1 9 GLN H 1.800 . 4.720 3.640 3.077 4.471 . 0 0 "[ . 1 . 2]" 1
108 1 4 THR H 1 4 THR HB 1.800 . 3.900 2.620 2.477 2.751 . 0 0 "[ . 1 . 2]" 1
109 1 4 THR H 1 4 THR MG 1.800 . 4.620 3.848 3.779 3.956 . 0 0 "[ . 1 . 2]" 1
110 1 4 THR H 1 5 ILE H 1.800 . 5.080 4.186 3.989 4.316 . 0 0 "[ . 1 . 2]" 1
111 1 4 THR H 1 53 GLY H 1.800 . 5.270 4.350 3.719 4.899 . 0 0 "[ . 1 . 2]" 1
112 1 4 THR H 1 56 ILE MD 1.800 . 5.630 4.378 3.553 5.574 . 0 0 "[ . 1 . 2]" 1
113 1 4 THR H 1 56 ILE H 1.800 . 4.860 3.727 3.250 4.189 . 0 0 "[ . 1 . 2]" 1
114 1 5 ILE HA 1 5 ILE MD 1.800 . 4.540 3.888 3.832 3.983 . 0 0 "[ . 1 . 2]" 1
115 1 5 ILE HA 1 56 ILE HB 1.800 . 4.190 2.668 2.093 3.208 . 0 0 "[ . 1 . 2]" 1
116 1 5 ILE HA 1 6 ASN H 1.800 . 3.190 2.155 2.121 2.192 . 0 0 "[ . 1 . 2]" 1
117 1 5 ILE HA 1 7 GLY H 1.800 . 4.150 3.910 3.574 4.203 0.053 6 0 "[ . 1 . 2]" 1
118 1 5 ILE HA 1 8 GLU H 1.800 . 6.050 4.597 4.435 4.747 . 0 0 "[ . 1 . 2]" 1
119 1 5 ILE HB 1 10 ARG QD 1.800 . 6.050 3.777 1.991 5.419 . 0 0 "[ . 1 . 2]" 1
120 1 5 ILE MD 1 10 ARG HA 1.800 . 6.030 4.914 4.582 5.482 . 0 0 "[ . 1 . 2]" 1
121 1 5 ILE MD 1 10 ARG HB3 1.800 . 4.030 2.440 1.820 3.812 . 0 0 "[ . 1 . 2]" 1
122 1 5 ILE MD 1 10 ARG HB2 1.800 . 4.030 3.208 1.959 4.107 0.077 6 0 "[ . 1 . 2]" 1
123 1 5 ILE MD 1 10 ARG QD 1.800 . 4.430 2.616 1.802 3.977 . 0 0 "[ . 1 . 2]" 1
124 1 5 ILE MD 1 10 ARG QG 1.800 . 4.320 3.184 2.282 3.748 . 0 0 "[ . 1 . 2]" 1
125 1 5 ILE MD 1 10 ARG H 1.800 . 5.010 4.267 3.847 4.637 . 0 0 "[ . 1 . 2]" 1
126 1 5 ILE QG 1 56 ILE HB 1.800 . 3.930 2.326 1.927 2.864 . 0 0 "[ . 1 . 2]" 1
127 1 5 ILE QG 1 6 ASN H 1.800 . 4.920 4.319 4.159 4.468 . 0 0 "[ . 1 . 2]" 1
128 1 5 ILE MG 1 10 ARG QD 1.800 . 5.750 4.036 2.676 5.653 . 0 0 "[ . 1 . 2]" 1
129 1 5 ILE QG 1 5 ILE MG 1.800 . 3.360 2.388 2.318 2.424 . 0 0 "[ . 1 . 2]" 1
130 1 5 ILE MG 1 56 ILE HB 1.800 . 4.800 3.392 2.813 4.079 . 0 0 "[ . 1 . 2]" 1
131 1 5 ILE MG 1 57 GLU HA 1.800 . 4.910 3.974 2.914 4.523 . 0 0 "[ . 1 . 2]" 1
132 1 5 ILE MG 1 58 ILE H 1.800 . 5.090 3.606 2.924 4.272 . 0 0 "[ . 1 . 2]" 1
133 1 5 ILE MG 1 6 ASN HA 1.800 . 5.390 4.283 4.105 4.440 . 0 0 "[ . 1 . 2]" 1
134 1 5 ILE MG 1 6 ASN QB 1.800 . 4.300 2.856 2.552 3.088 . 0 0 "[ . 1 . 2]" 1
135 1 5 ILE MG 1 6 ASN QD 1.800 . 5.020 3.851 1.941 5.052 0.032 1 0 "[ . 1 . 2]" 1
136 1 5 ILE MG 1 6 ASN H 1.800 . 3.820 3.134 2.874 3.307 . 0 0 "[ . 1 . 2]" 1
137 1 5 ILE MG 1 7 GLY H 1.800 . 5.400 4.870 4.661 5.069 . 0 0 "[ . 1 . 2]" 1
138 1 5 ILE MG 1 8 GLU H 1.800 . 5.130 4.673 4.406 4.824 . 0 0 "[ . 1 . 2]" 1
139 1 5 ILE H 1 10 ARG QB 1.800 . 4.530 3.587 2.993 4.146 . 0 0 "[ . 1 . 2]" 1
140 1 5 ILE H 1 10 ARG H 1.800 . 4.030 3.288 2.854 3.922 . 0 0 "[ . 1 . 2]" 1
141 1 5 ILE H 1 5 ILE HB 1.800 . 3.660 2.591 2.500 2.676 . 0 0 "[ . 1 . 2]" 1
142 1 5 ILE H 1 5 ILE MD 1.800 . 5.460 3.893 3.608 4.106 . 0 0 "[ . 1 . 2]" 1
143 1 5 ILE H 1 5 ILE QG 1.800 . 3.940 2.559 2.348 2.799 . 0 0 "[ . 1 . 2]" 1
144 1 5 ILE H 1 6 ASN H 1.800 . 5.090 4.261 4.145 4.383 . 0 0 "[ . 1 . 2]" 1
145 1 5 ILE H 1 8 GLU QB 1.800 . 4.680 4.035 3.505 4.942 0.262 8 0 "[ . 1 . 2]" 1
146 1 5 ILE H 1 8 GLU H 1.800 . 3.960 3.537 3.364 3.761 . 0 0 "[ . 1 . 2]" 1
147 1 5 ILE H 1 9 GLN QG 1.800 . 5.870 4.926 4.211 6.020 0.150 6 0 "[ . 1 . 2]" 1
148 1 6 ASN HA 1 57 GLU HG3 1.800 . 5.850 3.419 2.233 5.248 . 0 0 "[ . 1 . 2]" 1
149 1 6 ASN HA 1 57 GLU HG2 1.800 . 5.850 4.356 2.795 5.247 . 0 0 "[ . 1 . 2]" 1
150 1 6 ASN HA 1 7 GLY H 1.800 . 3.860 2.882 2.585 3.033 . 0 0 "[ . 1 . 2]" 1
151 1 6 ASN HD21 1 58 ILE HB 1.800 . 5.500 4.233 2.881 5.313 . 0 0 "[ . 1 . 2]" 1
152 1 6 ASN HD21 1 58 ILE H 1.800 . 5.180 3.882 2.172 5.115 . 0 0 "[ . 1 . 2]" 1
153 1 6 ASN HD22 1 58 ILE HB 1.800 . 5.500 3.458 1.743 5.662 0.162 16 0 "[ . 1 . 2]" 1
154 1 6 ASN HD22 1 58 ILE H 1.800 . 5.180 3.598 1.741 5.285 0.105 3 0 "[ . 1 . 2]" 1
155 1 6 ASN H 1 56 ILE HB 1.800 . 5.590 4.243 3.535 4.639 . 0 0 "[ . 1 . 2]" 1
156 1 6 ASN H 1 56 ILE MG 1.800 . 5.760 4.266 3.123 4.588 . 0 0 "[ . 1 . 2]" 1
157 1 6 ASN H 1 57 GLU HA 1.800 . 3.760 2.409 2.031 2.874 . 0 0 "[ . 1 . 2]" 1
158 1 6 ASN H 1 57 GLU HB3 1.800 . 6.050 4.910 2.778 5.453 . 0 0 "[ . 1 . 2]" 1
159 1 6 ASN H 1 57 GLU HB2 1.800 . 6.050 4.102 3.467 5.361 . 0 0 "[ . 1 . 2]" 1
160 1 6 ASN H 1 57 GLU QG 1.800 . 5.120 4.256 3.720 5.072 . 0 0 "[ . 1 . 2]" 1
161 1 6 ASN H 1 6 ASN QD 1.800 . 5.820 4.324 2.132 5.359 . 0 0 "[ . 1 . 2]" 1
162 1 6 ASN H 1 7 GLY H 1.800 . 4.060 2.673 2.585 2.922 . 0 0 "[ . 1 . 2]" 1
163 1 6 ASN H 1 8 GLU H 1.800 . 5.480 4.105 3.895 4.277 . 0 0 "[ . 1 . 2]" 1
164 1 7 GLY H 1 8 GLU H 1.800 . 3.980 2.574 2.371 2.746 . 0 0 "[ . 1 . 2]" 1
165 1 8 GLU HA 1 8 GLU QG 1.800 . 3.950 2.760 2.455 3.384 . 0 0 "[ . 1 . 2]" 1
166 1 8 GLU HA 1 9 GLN H 1.800 . 2.950 2.215 2.154 2.395 . 0 0 "[ . 1 . 2]" 1
167 1 8 GLU QB 1 9 GLN H 1.800 . 4.430 3.458 2.482 3.988 . 0 0 "[ . 1 . 2]" 1
168 1 8 GLU QG 1 9 GLN H 1.800 . 4.770 4.049 2.664 4.958 0.188 15 0 "[ . 1 . 2]" 1
169 1 8 GLU H 1 8 GLU QB 1.800 . 3.380 2.515 2.352 2.947 . 0 0 "[ . 1 . 2]" 1
170 1 8 GLU H 1 8 GLU QG 1.800 . 3.950 3.249 2.297 4.101 0.151 9 0 "[ . 1 . 2]" 1
171 1 8 GLU H 1 9 GLN H 1.800 . 5.160 4.316 4.052 4.529 . 0 0 "[ . 1 . 2]" 1
172 1 9 GLN HA 1 10 ARG H 1.800 . 3.120 2.165 2.107 2.352 . 0 0 "[ . 1 . 2]" 1
173 1 9 GLN HA 1 9 GLN HG3 1.800 . 4.410 3.089 2.476 3.833 . 0 0 "[ . 1 . 2]" 1
174 1 9 GLN HA 1 9 GLN HG2 1.800 . 4.410 2.914 2.416 3.776 . 0 0 "[ . 1 . 2]" 1
175 1 9 GLN HB3 1 10 ARG H 1.800 . 4.970 3.525 2.828 4.404 . 0 0 "[ . 1 . 2]" 1
176 1 9 GLN HB2 1 10 ARG H 1.800 . 4.970 4.211 3.211 4.531 . 0 0 "[ . 1 . 2]" 1
177 1 9 GLN QG 1 10 ARG H 1.800 . 4.320 4.215 3.834 4.421 0.101 5 0 "[ . 1 . 2]" 1
178 1 9 GLN H 1 10 ARG H 1.800 . 5.310 4.458 4.283 4.692 . 0 0 "[ . 1 . 2]" 1
179 1 9 GLN H 1 9 GLN HB3 1.800 . 4.070 3.538 2.656 3.723 . 0 0 "[ . 1 . 2]" 1
180 1 9 GLN H 1 9 GLN HB2 1.800 . 4.070 2.605 2.360 3.635 . 0 0 "[ . 1 . 2]" 1
181 1 9 GLN H 1 9 GLN QG 1.800 . 3.810 2.536 2.006 3.513 . 0 0 "[ . 1 . 2]" 1
182 1 10 ARG HA 1 10 ARG QD 1.800 . 4.190 3.816 2.197 4.320 0.130 12 0 "[ . 1 . 2]" 1
183 1 10 ARG HA 1 10 ARG QG 1.800 . 3.980 2.555 2.395 3.028 . 0 0 "[ . 1 . 2]" 1
184 1 10 ARG HA 1 11 GLU QB 1.800 . 4.660 4.180 3.964 4.471 . 0 0 "[ . 1 . 2]" 1
185 1 10 ARG HA 1 11 GLU H 1.800 . 3.100 2.196 2.121 2.323 . 0 0 "[ . 1 . 2]" 1
186 1 10 ARG QB 1 10 ARG HE 1.800 . 4.970 3.232 1.968 4.315 . 0 0 "[ . 1 . 2]" 1
187 1 10 ARG QB 1 11 GLU H 1.800 . 4.070 3.515 2.476 3.833 . 0 0 "[ . 1 . 2]" 1
188 1 10 ARG QD 1 11 GLU H 1.800 . 4.950 4.469 2.451 5.122 0.172 3 0 "[ . 1 . 2]" 1
189 1 10 ARG QD 1 12 VAL MG1 1.800 . 4.620 3.304 1.938 4.643 0.023 17 0 "[ . 1 . 2]" 1
190 1 10 ARG QG 1 11 GLU H 1.800 . 4.330 3.129 2.497 4.595 0.265 8 0 "[ . 1 . 2]" 1
191 1 10 ARG H 1 10 ARG QB 1.800 . 3.630 2.616 2.473 2.781 . 0 0 "[ . 1 . 2]" 1
192 1 10 ARG H 1 11 GLU H 1.800 . 5.030 4.298 4.092 4.483 . 0 0 "[ . 1 . 2]" 1
193 1 11 GLU HA 1 11 GLU QG 1.800 . 3.930 2.959 2.416 3.563 . 0 0 "[ . 1 . 2]" 1
194 1 11 GLU HA 1 12 VAL H 1.800 . 2.850 2.167 2.132 2.264 . 0 0 "[ . 1 . 2]" 1
195 1 11 GLU QB 1 12 VAL H 1.800 . 4.410 3.675 3.054 4.016 . 0 0 "[ . 1 . 2]" 1
196 1 11 GLU QG 1 12 VAL HA 1.800 . 4.980 4.174 3.565 5.188 0.208 18 0 "[ . 1 . 2]" 1
197 1 11 GLU QG 1 12 VAL H 1.800 . 4.090 3.610 2.751 4.247 0.157 14 0 "[ . 1 . 2]" 1
198 1 11 GLU H 1 11 GLU QB 1.800 . 3.260 2.409 2.219 2.729 . 0 0 "[ . 1 . 2]" 1
199 1 11 GLU H 1 11 GLU QG 1.800 . 4.460 3.506 1.930 4.136 . 0 0 "[ . 1 . 2]" 1
200 1 11 GLU H 1 12 VAL MG1 1.800 . 4.800 4.238 3.771 4.681 . 0 0 "[ . 1 . 2]" 1
201 1 12 VAL HA 1 12 VAL MG1 1.800 . 3.530 2.430 2.382 2.488 . 0 0 "[ . 1 . 2]" 1
202 1 12 VAL HA 1 12 VAL MG2 1.800 . 3.770 3.276 3.264 3.295 . 0 0 "[ . 1 . 2]" 1
203 1 12 VAL HA 1 13 GLN H 1.800 . 3.370 2.369 2.203 2.521 . 0 0 "[ . 1 . 2]" 1
204 1 12 VAL HB 1 13 GLN H 1.800 . 3.670 2.524 2.205 2.859 . 0 0 "[ . 1 . 2]" 1
205 1 12 VAL HB 1 14 SER H 1.800 . 3.750 2.522 2.086 3.076 . 0 0 "[ . 1 . 2]" 1
206 1 12 VAL HB 1 20 LEU MD1 1.800 . 3.850 2.716 2.160 3.248 . 0 0 "[ . 1 . 2]" 1
207 1 12 VAL MG1 1 13 GLN H 1.800 . 4.640 3.786 3.646 3.910 . 0 0 "[ . 1 . 2]" 1
208 1 12 VAL MG1 1 14 SER H 1.800 . 5.010 4.173 3.822 4.625 . 0 0 "[ . 1 . 2]" 1
209 1 12 VAL MG1 1 20 LEU MD1 1.800 . 2.960 2.031 1.887 2.437 . 0 0 "[ . 1 . 2]" 1
210 1 12 VAL MG2 1 13 GLN HA 1.800 . 4.970 3.866 3.398 4.302 . 0 0 "[ . 1 . 2]" 1
211 1 12 VAL MG2 1 13 GLN H 1.800 . 4.800 3.434 3.100 3.765 . 0 0 "[ . 1 . 2]" 1
212 1 12 VAL MG2 1 14 SER HA 1.800 . 6.050 4.862 4.262 5.154 . 0 0 "[ . 1 . 2]" 1
213 1 12 VAL MG2 1 14 SER QB 1.800 . 5.670 3.469 2.259 4.430 . 0 0 "[ . 1 . 2]" 1
214 1 12 VAL MG2 1 14 SER H 1.800 . 3.950 2.896 2.322 3.661 . 0 0 "[ . 1 . 2]" 1
215 1 12 VAL MG2 1 15 ALA HA 1.800 . 5.480 4.816 3.789 5.482 0.002 12 0 "[ . 1 . 2]" 1
216 1 12 VAL MG2 1 15 ALA H 1.800 . 6.050 4.875 3.125 5.773 . 0 0 "[ . 1 . 2]" 1
217 1 12 VAL MG2 1 20 LEU HA 1.800 . 6.050 4.882 4.374 5.753 . 0 0 "[ . 1 . 2]" 1
218 1 12 VAL H 1 12 VAL MG1 1.800 . 4.460 2.873 2.640 3.123 . 0 0 "[ . 1 . 2]" 1
219 1 12 VAL H 1 12 VAL MG2 1.800 . 3.230 2.266 2.103 2.404 . 0 0 "[ . 1 . 2]" 1
220 1 13 GLN QB 1 13 GLN QE 1.800 . 4.910 3.036 1.829 3.777 . 0 0 "[ . 1 . 2]" 1
221 1 13 GLN HB3 1 14 SER H 1.800 . 5.090 4.120 2.683 4.568 . 0 0 "[ . 1 . 2]" 1
222 1 13 GLN HB2 1 14 SER H 1.800 . 5.090 3.923 2.676 4.496 . 0 0 "[ . 1 . 2]" 1
223 1 13 GLN H 1 13 GLN QB 1.800 . 3.740 2.685 2.346 3.223 . 0 0 "[ . 1 . 2]" 1
224 1 13 GLN H 1 13 GLN QG 1.800 . 4.170 3.080 2.133 4.242 0.072 6 0 "[ . 1 . 2]" 1
225 1 13 GLN H 1 14 SER H 1.800 . 3.390 2.099 1.891 2.313 . 0 0 "[ . 1 . 2]" 1
226 1 13 GLN H 1 20 LEU MD1 1.800 . 5.380 4.604 3.894 5.183 . 0 0 "[ . 1 . 2]" 1
227 1 14 SER HA 1 15 ALA HA 1.800 . 6.050 4.713 4.447 5.404 . 0 0 "[ . 1 . 2]" 1
228 1 14 SER HA 1 15 ALA MB 1.800 . 4.420 4.106 3.984 4.271 . 0 0 "[ . 1 . 2]" 1
229 1 14 SER HA 1 16 SER H 1.800 . 4.710 3.539 3.090 4.236 . 0 0 "[ . 1 . 2]" 1
230 1 14 SER HA 1 19 ALA MB 1.800 . 4.000 3.211 2.447 3.648 . 0 0 "[ . 1 . 2]" 1
231 1 14 SER QB 1 15 ALA H 1.800 . 3.980 3.308 2.391 3.740 . 0 0 "[ . 1 . 2]" 1
232 1 14 SER QB 1 16 SER H 1.800 . 3.780 2.967 2.496 3.398 . 0 0 "[ . 1 . 2]" 1
233 1 14 SER QB 1 19 ALA MB 1.800 . 3.380 2.406 2.053 3.014 . 0 0 "[ . 1 . 2]" 1
234 1 14 SER QB 1 20 LEU HA 1.800 . 4.040 2.644 2.157 3.235 . 0 0 "[ . 1 . 2]" 1
235 1 14 SER QB 1 20 LEU HB3 1.800 . 4.880 3.886 3.528 4.337 . 0 0 "[ . 1 . 2]" 1
236 1 14 SER QB 1 20 LEU HB2 1.800 . 4.880 2.539 2.080 3.071 . 0 0 "[ . 1 . 2]" 1
237 1 14 SER QB 1 20 LEU MD1 1.800 . 3.920 2.788 2.137 3.554 . 0 0 "[ . 1 . 2]" 1
238 1 14 SER QB 1 20 LEU MD2 1.800 . 5.200 3.912 2.858 4.707 . 0 0 "[ . 1 . 2]" 1
239 1 14 SER QB 1 20 LEU H 1.800 . 3.820 2.860 2.540 3.157 . 0 0 "[ . 1 . 2]" 1
240 1 14 SER H 1 14 SER QB 1.800 . 3.530 2.545 2.406 2.852 . 0 0 "[ . 1 . 2]" 1
241 1 14 SER H 1 20 LEU QB 1.800 . 6.050 4.941 4.572 5.341 . 0 0 "[ . 1 . 2]" 1
242 1 14 SER H 1 20 LEU MD1 1.800 . 4.790 3.834 3.363 4.339 . 0 0 "[ . 1 . 2]" 1
243 1 15 ALA HA 1 50 VAL HB 1.800 . 4.040 2.753 1.986 3.598 . 0 0 "[ . 1 . 2]" 1
244 1 15 ALA HA 1 50 VAL MG1 1.800 . 5.690 4.077 3.373 4.964 . 0 0 "[ . 1 . 2]" 1
245 1 15 ALA HA 1 50 VAL MG2 1.800 . 5.670 3.878 3.305 4.508 . 0 0 "[ . 1 . 2]" 1
246 1 15 ALA HA 1 50 VAL H 1.800 . 4.800 3.245 2.681 3.673 . 0 0 "[ . 1 . 2]" 1
247 1 15 ALA MB 1 16 SER H 1.800 . 4.430 3.185 2.513 3.615 . 0 0 "[ . 1 . 2]" 1
248 1 15 ALA MB 1 50 VAL H 1.800 . 5.160 3.897 3.230 4.594 . 0 0 "[ . 1 . 2]" 1
249 1 15 ALA H 1 15 ALA MB 1.800 . 3.370 2.466 2.238 3.034 . 0 0 "[ . 1 . 2]" 1
250 1 15 ALA H 1 16 SER H 1.800 . 3.420 2.688 2.352 3.488 0.068 8 0 "[ . 1 . 2]" 1
251 1 16 SER HA 1 17 VAL MG2 1.800 . 4.710 3.641 3.425 3.845 . 0 0 "[ . 1 . 2]" 1
252 1 16 SER HA 1 17 VAL H 1.800 . 3.660 2.248 2.179 2.323 . 0 0 "[ . 1 . 2]" 1
253 1 16 SER HA 1 18 ALA H 1.800 . 5.350 4.128 3.849 4.475 . 0 0 "[ . 1 . 2]" 1
254 1 16 SER HA 1 49 PRO HA 1.800 . 3.620 2.329 1.755 3.148 0.045 3 0 "[ . 1 . 2]" 1
255 1 16 SER HA 1 49 PRO QB 1.800 . 5.360 4.073 3.470 4.880 . 0 0 "[ . 1 . 2]" 1
256 1 16 SER HA 1 50 VAL HB 1.800 . 5.380 4.552 3.784 5.114 . 0 0 "[ . 1 . 2]" 1
257 1 16 SER HA 1 50 VAL MG2 1.800 . 4.420 3.048 2.687 3.354 . 0 0 "[ . 1 . 2]" 1
258 1 16 SER HA 1 50 VAL H 1.800 . 3.830 3.220 2.290 3.895 0.065 15 0 "[ . 1 . 2]" 1
259 1 16 SER QB 1 17 VAL H 1.800 . 3.990 3.354 2.570 3.754 . 0 0 "[ . 1 . 2]" 1
260 1 16 SER QB 1 18 ALA MB 1.800 . 5.520 3.443 2.730 3.932 . 0 0 "[ . 1 . 2]" 1
261 1 16 SER QB 1 18 ALA H 1.800 . 4.410 3.459 2.569 3.928 . 0 0 "[ . 1 . 2]" 1
262 1 16 SER QB 1 19 ALA MB 1.800 . 4.730 2.492 2.004 3.693 . 0 0 "[ . 1 . 2]" 1
263 1 16 SER QB 1 19 ALA H 1.800 . 3.900 2.690 2.308 3.473 . 0 0 "[ . 1 . 2]" 1
264 1 16 SER QB 1 46 ASP HA 1.800 . 4.960 3.719 2.325 4.692 . 0 0 "[ . 1 . 2]" 1
265 1 16 SER HG 1 18 ALA MB 1.800 . 4.970 3.466 2.362 5.068 0.098 3 0 "[ . 1 . 2]" 1
266 1 16 SER HG 1 19 ALA MB 1.800 . 4.770 3.946 2.457 4.853 0.083 9 0 "[ . 1 . 2]" 1
267 1 16 SER HG 1 19 ALA H 1.800 . 4.770 3.730 2.740 4.849 0.079 16 0 "[ . 1 . 2]" 1
268 1 16 SER H 1 19 ALA MB 1.800 . 3.770 2.901 2.391 3.353 . 0 0 "[ . 1 . 2]" 1
269 1 16 SER H 1 20 LEU H 1.800 . 4.400 4.321 3.974 4.466 0.066 2 0 "[ . 1 . 2]" 1
270 1 16 SER H 1 50 VAL MG1 1.800 . 5.830 5.267 4.051 5.931 0.101 12 0 "[ . 1 . 2]" 1
271 1 16 SER H 1 50 VAL MG2 1.800 . 4.600 3.554 2.949 3.984 . 0 0 "[ . 1 . 2]" 1
272 1 17 VAL HA 1 17 VAL MG1 1.800 . 3.640 2.525 2.456 2.582 . 0 0 "[ . 1 . 2]" 1
273 1 17 VAL HA 1 17 VAL MG2 1.800 . 3.440 2.398 2.333 2.505 . 0 0 "[ . 1 . 2]" 1
274 1 17 VAL HA 1 18 ALA MB 1.800 . 5.930 5.068 5.030 5.101 . 0 0 "[ . 1 . 2]" 1
275 1 17 VAL HA 1 19 ALA MB 1.800 . 6.050 4.964 4.615 5.145 . 0 0 "[ . 1 . 2]" 1
276 1 17 VAL HA 1 20 LEU HB3 1.800 . 4.190 2.340 2.109 3.044 . 0 0 "[ . 1 . 2]" 1
277 1 17 VAL HA 1 20 LEU HB2 1.800 . 4.190 2.949 2.496 3.592 . 0 0 "[ . 1 . 2]" 1
278 1 17 VAL HA 1 20 LEU MD1 1.800 . 6.050 4.708 4.145 5.296 . 0 0 "[ . 1 . 2]" 1
279 1 17 VAL HA 1 20 LEU MD2 1.800 . 5.200 3.011 2.407 3.707 . 0 0 "[ . 1 . 2]" 1
280 1 17 VAL HA 1 20 LEU H 1.800 . 4.140 3.283 3.062 3.620 . 0 0 "[ . 1 . 2]" 1
281 1 17 VAL HA 1 21 MET H 1.800 . 4.910 3.944 3.756 4.383 . 0 0 "[ . 1 . 2]" 1
282 1 17 VAL HA 1 50 VAL MG2 1.800 . 3.890 2.492 2.321 2.624 . 0 0 "[ . 1 . 2]" 1
283 1 17 VAL HB 1 18 ALA MB 1.800 . 4.570 4.357 4.160 4.479 . 0 0 "[ . 1 . 2]" 1
284 1 17 VAL HB 1 18 ALA H 1.800 . 3.900 2.924 2.697 3.060 . 0 0 "[ . 1 . 2]" 1
285 1 17 VAL HB 1 40 VAL MG1 1.800 . 5.400 3.751 3.204 4.439 . 0 0 "[ . 1 . 2]" 1
286 1 17 VAL HB 1 45 TRP HA 1.800 . 3.730 2.515 2.237 2.892 . 0 0 "[ . 1 . 2]" 1
287 1 17 VAL HB 1 45 TRP QB 1.800 . 5.240 3.234 2.784 3.612 . 0 0 "[ . 1 . 2]" 1
288 1 17 VAL HB 1 45 TRP HD1 1.800 . 4.710 4.199 3.799 4.709 . 0 0 "[ . 1 . 2]" 1
289 1 17 VAL HB 1 48 THR HB 1.800 . 4.420 2.677 2.349 3.068 . 0 0 "[ . 1 . 2]" 1
290 1 17 VAL HB 1 48 THR MG 1.800 . 4.310 3.595 3.180 4.024 . 0 0 "[ . 1 . 2]" 1
291 1 17 VAL MG1 1 18 ALA HA 1.800 . 4.710 3.717 3.437 3.924 . 0 0 "[ . 1 . 2]" 1
292 1 17 VAL MG1 1 18 ALA MB 1.800 . 4.980 4.368 4.153 4.551 . 0 0 "[ . 1 . 2]" 1
293 1 17 VAL MG1 1 18 ALA H 1.800 . 4.320 3.612 3.382 3.753 . 0 0 "[ . 1 . 2]" 1
294 1 17 VAL MG1 1 20 LEU H 1.800 . 5.650 4.636 4.488 4.838 . 0 0 "[ . 1 . 2]" 1
295 1 17 VAL MG1 1 21 MET QB 1.800 . 5.680 3.919 3.634 4.261 . 0 0 "[ . 1 . 2]" 1
296 1 17 VAL MG1 1 21 MET QG 1.800 . 4.180 2.484 2.278 2.737 . 0 0 "[ . 1 . 2]" 1
297 1 17 VAL MG1 1 21 MET H 1.800 . 4.620 3.875 3.678 4.105 . 0 0 "[ . 1 . 2]" 1
298 1 17 VAL MG1 1 33 VAL HB 1.800 . 5.200 3.376 3.009 3.825 . 0 0 "[ . 1 . 2]" 1
299 1 17 VAL MG1 1 33 VAL MG1 1.800 . 3.260 1.855 1.705 2.026 0.095 4 0 "[ . 1 . 2]" 1
300 1 17 VAL MG1 1 33 VAL MG2 1.800 . 3.870 2.314 2.079 2.894 . 0 0 "[ . 1 . 2]" 1
301 1 17 VAL MG1 1 40 VAL HB 1.800 . 4.820 3.284 2.768 3.711 . 0 0 "[ . 1 . 2]" 1
302 1 17 VAL MG1 1 40 VAL MG1 1.800 . 4.260 3.171 2.741 3.708 . 0 0 "[ . 1 . 2]" 1
303 1 17 VAL MG1 1 40 VAL MG2 1.800 . 5.290 3.363 2.719 3.932 . 0 0 "[ . 1 . 2]" 1
304 1 17 VAL MG1 1 45 TRP HA 1.800 . 4.250 2.963 2.639 3.265 . 0 0 "[ . 1 . 2]" 1
305 1 17 VAL MG1 1 45 TRP HB3 1.800 . 5.270 2.836 2.501 3.225 . 0 0 "[ . 1 . 2]" 1
306 1 17 VAL MG1 1 45 TRP HB2 1.800 . 5.270 4.200 3.921 4.533 . 0 0 "[ . 1 . 2]" 1
307 1 17 VAL MG1 1 45 TRP HD1 1.800 . 4.390 3.189 2.785 3.640 . 0 0 "[ . 1 . 2]" 1
308 1 17 VAL MG1 1 45 TRP HE1 1.800 . 5.130 4.045 3.767 4.386 . 0 0 "[ . 1 . 2]" 1
309 1 17 VAL MG1 1 45 TRP HE3 1.800 . 5.130 4.417 3.727 4.794 . 0 0 "[ . 1 . 2]" 1
310 1 17 VAL MG1 1 48 THR HB 1.800 . 5.490 3.675 3.354 4.003 . 0 0 "[ . 1 . 2]" 1
311 1 17 VAL MG2 1 18 ALA H 1.800 . 4.640 4.039 3.895 4.121 . 0 0 "[ . 1 . 2]" 1
312 1 17 VAL MG2 1 40 VAL MG1 1.800 . 4.380 3.499 2.790 4.221 . 0 0 "[ . 1 . 2]" 1
313 1 17 VAL MG2 1 45 TRP HA 1.800 . 4.820 3.825 3.433 4.204 . 0 0 "[ . 1 . 2]" 1
314 1 17 VAL MG2 1 48 THR HB 1.800 . 4.000 2.648 2.368 2.948 . 0 0 "[ . 1 . 2]" 1
315 1 17 VAL MG2 1 48 THR MG 1.800 . 3.230 2.131 1.873 2.328 . 0 0 "[ . 1 . 2]" 1
316 1 17 VAL MG2 1 48 THR H 1.800 . 4.590 4.364 4.114 4.581 . 0 0 "[ . 1 . 2]" 1
317 1 17 VAL MG2 1 50 VAL MG2 1.800 . 3.120 2.076 1.888 2.266 . 0 0 "[ . 1 . 2]" 1
318 1 17 VAL H 1 17 VAL HB 1.800 . 3.720 2.489 2.389 2.587 . 0 0 "[ . 1 . 2]" 1
319 1 17 VAL H 1 17 VAL MG1 1.800 . 4.540 3.809 3.784 3.836 . 0 0 "[ . 1 . 2]" 1
320 1 17 VAL H 1 17 VAL MG2 1.800 . 3.490 2.237 2.050 2.375 . 0 0 "[ . 1 . 2]" 1
321 1 17 VAL H 1 18 ALA MB 1.800 . 5.190 4.318 4.228 4.424 . 0 0 "[ . 1 . 2]" 1
322 1 17 VAL H 1 18 ALA H 1.800 . 4.070 2.629 2.559 2.702 . 0 0 "[ . 1 . 2]" 1
323 1 17 VAL H 1 45 TRP HA 1.800 . 5.630 4.540 4.224 4.859 . 0 0 "[ . 1 . 2]" 1
324 1 17 VAL H 1 48 THR HB 1.800 . 4.920 3.828 3.538 4.208 . 0 0 "[ . 1 . 2]" 1
325 1 17 VAL H 1 48 THR MG 1.800 . 4.940 4.192 3.907 4.380 . 0 0 "[ . 1 . 2]" 1
326 1 17 VAL H 1 48 THR H 1.800 . 5.460 4.272 3.979 4.726 . 0 0 "[ . 1 . 2]" 1
327 1 17 VAL H 1 49 PRO HA 1.800 . 5.010 3.490 2.830 4.115 . 0 0 "[ . 1 . 2]" 1
328 1 17 VAL H 1 50 VAL MG2 1.800 . 4.430 2.964 2.719 3.104 . 0 0 "[ . 1 . 2]" 1
329 1 17 VAL H 1 50 VAL H 1.800 . 5.520 4.411 3.844 4.879 . 0 0 "[ . 1 . 2]" 1
330 1 18 ALA HA 1 21 MET H 1.800 . 4.710 3.734 3.407 3.987 . 0 0 "[ . 1 . 2]" 1
331 1 18 ALA HA 1 45 TRP HB3 1.800 . 4.640 2.232 2.067 2.375 . 0 0 "[ . 1 . 2]" 1
332 1 18 ALA HA 1 45 TRP HB2 1.800 . 4.640 3.253 2.915 3.734 . 0 0 "[ . 1 . 2]" 1
333 1 18 ALA HA 1 45 TRP HE3 1.800 . 3.890 2.713 2.414 3.052 . 0 0 "[ . 1 . 2]" 1
334 1 18 ALA HA 1 46 ASP H 1.800 . 6.050 4.851 4.595 5.085 . 0 0 "[ . 1 . 2]" 1
335 1 18 ALA MB 1 19 ALA HA 1.800 . 4.280 3.857 3.806 3.917 . 0 0 "[ . 1 . 2]" 1
336 1 18 ALA MB 1 19 ALA H 1.800 . 3.150 2.322 2.187 2.540 . 0 0 "[ . 1 . 2]" 1
337 1 18 ALA MB 1 45 TRP HA 1.800 . 5.260 4.094 3.879 4.233 . 0 0 "[ . 1 . 2]" 1
338 1 18 ALA MB 1 45 TRP HB3 1.800 . 3.670 2.533 2.126 2.826 . 0 0 "[ . 1 . 2]" 1
339 1 18 ALA MB 1 45 TRP HB2 1.800 . 3.670 2.690 2.380 3.092 . 0 0 "[ . 1 . 2]" 1
340 1 18 ALA MB 1 45 TRP HE3 1.800 . 4.350 3.552 3.124 3.992 . 0 0 "[ . 1 . 2]" 1
341 1 18 ALA MB 1 45 TRP H 1.800 . 5.080 4.512 4.344 4.840 . 0 0 "[ . 1 . 2]" 1
342 1 18 ALA MB 1 46 ASP HA 1.800 . 3.230 2.215 2.026 2.402 . 0 0 "[ . 1 . 2]" 1
343 1 18 ALA MB 1 46 ASP QB 1.800 . 4.400 2.895 2.411 3.662 . 0 0 "[ . 1 . 2]" 1
344 1 18 ALA MB 1 46 ASP H 1.800 . 4.150 2.795 2.680 3.080 . 0 0 "[ . 1 . 2]" 1
345 1 18 ALA MB 1 47 GLU H 1.800 . 5.280 4.629 4.528 4.755 . 0 0 "[ . 1 . 2]" 1
346 1 18 ALA MB 1 48 THR H 1.800 . 5.600 4.942 4.769 5.165 . 0 0 "[ . 1 . 2]" 1
347 1 18 ALA H 1 18 ALA MB 1.800 . 3.170 2.266 2.245 2.292 . 0 0 "[ . 1 . 2]" 1
348 1 18 ALA H 1 19 ALA H 1.800 . 3.320 2.771 2.667 2.874 . 0 0 "[ . 1 . 2]" 1
349 1 18 ALA H 1 45 TRP HA 1.800 . 4.610 3.917 3.678 4.079 . 0 0 "[ . 1 . 2]" 1
350 1 18 ALA H 1 45 TRP HB3 1.800 . 5.030 2.859 2.522 3.083 . 0 0 "[ . 1 . 2]" 1
351 1 18 ALA H 1 45 TRP HB2 1.800 . 5.030 4.159 3.824 4.427 . 0 0 "[ . 1 . 2]" 1
352 1 18 ALA H 1 46 ASP HA 1.800 . 4.310 3.137 2.842 3.702 . 0 0 "[ . 1 . 2]" 1
353 1 19 ALA HA 1 22 THR HB 1.800 . 3.970 2.704 2.160 3.133 . 0 0 "[ . 1 . 2]" 1
354 1 19 ALA HA 1 22 THR MG 1.800 . 4.630 3.967 3.580 4.305 . 0 0 "[ . 1 . 2]" 1
355 1 19 ALA HA 1 22 THR H 1.800 . 4.600 3.616 3.172 3.999 . 0 0 "[ . 1 . 2]" 1
356 1 19 ALA MB 1 20 LEU H 1.800 . 3.590 2.678 2.468 2.888 . 0 0 "[ . 1 . 2]" 1
357 1 19 ALA MB 1 22 THR HB 1.800 . 4.820 4.105 3.600 4.559 . 0 0 "[ . 1 . 2]" 1
358 1 19 ALA MB 1 23 GLU H 1.800 . 5.820 4.648 4.373 4.837 . 0 0 "[ . 1 . 2]" 1
359 1 19 ALA H 1 19 ALA MB 1.800 . 3.270 2.232 2.207 2.252 . 0 0 "[ . 1 . 2]" 1
360 1 19 ALA H 1 20 LEU H 1.800 . 3.490 2.683 2.606 2.771 . 0 0 "[ . 1 . 2]" 1
361 1 20 LEU HA 1 20 LEU MD1 1.800 . 3.540 2.142 1.990 2.349 . 0 0 "[ . 1 . 2]" 1
362 1 20 LEU HA 1 20 LEU MD2 1.800 . 5.380 3.928 3.834 4.010 . 0 0 "[ . 1 . 2]" 1
363 1 20 LEU HA 1 23 GLU QB 1.800 . 4.070 2.716 2.232 3.110 . 0 0 "[ . 1 . 2]" 1
364 1 20 LEU HA 1 23 GLU H 1.800 . 4.030 3.507 3.225 3.785 . 0 0 "[ . 1 . 2]" 1
365 1 20 LEU HB3 1 20 LEU MD1 1.800 . 4.510 3.252 3.242 3.265 . 0 0 "[ . 1 . 2]" 1
366 1 20 LEU HB3 1 20 LEU MD2 1.800 . 4.170 2.370 2.247 2.467 . 0 0 "[ . 1 . 2]" 1
367 1 20 LEU HB3 1 21 MET H 1.800 . 4.850 2.430 2.205 2.660 . 0 0 "[ . 1 . 2]" 1
368 1 20 LEU HB3 1 50 VAL MG2 1.800 . 5.200 3.354 3.020 3.791 . 0 0 "[ . 1 . 2]" 1
369 1 20 LEU HB2 1 20 LEU MD1 1.800 . 4.510 2.467 2.379 2.568 . 0 0 "[ . 1 . 2]" 1
370 1 20 LEU HB2 1 20 LEU MD2 1.800 . 4.170 2.436 2.359 2.516 . 0 0 "[ . 1 . 2]" 1
371 1 20 LEU HB2 1 21 MET H 1.800 . 4.850 3.799 3.658 3.939 . 0 0 "[ . 1 . 2]" 1
372 1 20 LEU HB2 1 50 VAL MG2 1.800 . 5.200 2.584 2.140 3.380 . 0 0 "[ . 1 . 2]" 1
373 1 20 LEU MD1 1 21 MET H 1.800 . 5.690 4.405 4.324 4.505 . 0 0 "[ . 1 . 2]" 1
374 1 20 LEU MD1 1 23 GLU QB 1.800 . 4.640 3.080 2.543 3.875 . 0 0 "[ . 1 . 2]" 1
375 1 20 LEU MD1 1 23 GLU QG 1.800 . 4.710 4.025 3.141 4.881 0.171 17 0 "[ . 1 . 2]" 1
376 1 20 LEU MD1 1 23 GLU H 1.800 . 5.190 4.607 4.220 5.162 . 0 0 "[ . 1 . 2]" 1
377 1 20 LEU MD1 1 24 LEU H 1.800 . 5.190 4.219 3.941 4.800 . 0 0 "[ . 1 . 2]" 1
378 1 20 LEU MD2 1 21 MET H 1.800 . 4.930 4.165 3.632 4.493 . 0 0 "[ . 1 . 2]" 1
379 1 20 LEU HG 1 21 MET HA 1.800 . 6.040 3.669 3.366 3.970 . 0 0 "[ . 1 . 2]" 1
380 1 20 LEU HG 1 21 MET H 1.800 . 4.920 3.628 3.332 3.920 . 0 0 "[ . 1 . 2]" 1
381 1 20 LEU HG 1 24 LEU MD1 1.800 . 4.110 2.266 1.950 2.472 . 0 0 "[ . 1 . 2]" 1
382 1 20 LEU HG 1 24 LEU H 1.800 . 5.470 4.752 4.569 5.012 . 0 0 "[ . 1 . 2]" 1
383 1 20 LEU H 1 20 LEU HB3 1.800 . 3.620 2.494 2.370 2.620 . 0 0 "[ . 1 . 2]" 1
384 1 20 LEU H 1 20 LEU HB2 1.800 . 3.620 2.530 2.460 2.605 . 0 0 "[ . 1 . 2]" 1
385 1 20 LEU H 1 20 LEU MD1 1.800 . 4.680 4.160 4.086 4.232 . 0 0 "[ . 1 . 2]" 1
386 1 20 LEU H 1 20 LEU MD2 1.800 . 4.610 4.296 4.146 4.368 . 0 0 "[ . 1 . 2]" 1
387 1 20 LEU H 1 21 MET H 1.800 . 3.900 2.757 2.624 2.886 . 0 0 "[ . 1 . 2]" 1
388 1 20 LEU H 1 50 VAL MG2 1.800 . 4.850 4.085 3.800 4.604 . 0 0 "[ . 1 . 2]" 1
389 1 21 MET HA 1 21 MET ME 1.800 . 4.580 3.548 3.151 3.895 . 0 0 "[ . 1 . 2]" 1
390 1 21 MET HA 1 24 LEU QB 1.800 . 4.490 2.579 2.279 2.975 . 0 0 "[ . 1 . 2]" 1
391 1 21 MET HA 1 24 LEU MD1 1.800 . 4.260 2.990 2.148 3.632 . 0 0 "[ . 1 . 2]" 1
392 1 21 MET HA 1 26 CYS QB 1.800 . 5.120 2.855 2.278 3.382 . 0 0 "[ . 1 . 2]" 1
393 1 21 MET HA 1 26 CYS H 1.800 . 4.650 3.507 3.119 3.955 . 0 0 "[ . 1 . 2]" 1
394 1 21 MET QB 1 26 CYS QB 1.800 . 5.610 2.758 2.143 3.591 . 0 0 "[ . 1 . 2]" 1
395 1 21 MET QB 1 26 CYS H 1.800 . 4.740 3.734 3.381 3.989 . 0 0 "[ . 1 . 2]" 1
396 1 21 MET HB3 1 22 THR H 1.800 . 4.320 3.989 3.827 4.152 . 0 0 "[ . 1 . 2]" 1
397 1 21 MET HB2 1 22 THR H 1.800 . 4.320 3.040 2.860 3.252 . 0 0 "[ . 1 . 2]" 1
398 1 21 MET ME 1 26 CYS HA 1.800 . 5.030 4.209 3.946 4.548 . 0 0 "[ . 1 . 2]" 1
399 1 21 MET ME 1 26 CYS HB3 1.800 . 3.810 2.571 2.254 3.063 . 0 0 "[ . 1 . 2]" 1
400 1 21 MET ME 1 26 CYS HB2 1.800 . 3.810 2.669 2.170 3.863 0.053 19 0 "[ . 1 . 2]" 1
401 1 21 MET ME 1 26 CYS H 1.800 . 5.570 4.355 3.968 4.852 . 0 0 "[ . 1 . 2]" 1
402 1 21 MET ME 1 27 THR HA 1.800 . 5.590 3.835 3.164 4.381 . 0 0 "[ . 1 . 2]" 1
403 1 21 MET ME 1 31 TYR HB3 1.800 . 4.400 2.830 2.323 3.240 . 0 0 "[ . 1 . 2]" 1
404 1 21 MET ME 1 31 TYR HB2 1.800 . 4.400 3.215 2.484 3.801 . 0 0 "[ . 1 . 2]" 1
405 1 21 MET ME 1 31 TYR QD 1.800 . 4.930 4.047 3.382 4.436 . 0 0 "[ . 1 . 2]" 1
406 1 21 MET ME 1 32 ALA HA 1.800 . 5.120 3.328 2.770 4.212 . 0 0 "[ . 1 . 2]" 1
407 1 21 MET ME 1 32 ALA H 1.800 . 4.970 3.620 3.163 4.366 . 0 0 "[ . 1 . 2]" 1
408 1 21 MET ME 1 33 VAL HB 1.800 . 4.230 2.500 2.092 3.049 . 0 0 "[ . 1 . 2]" 1
409 1 21 MET ME 1 33 VAL MG2 1.800 . 4.680 3.525 2.777 3.944 . 0 0 "[ . 1 . 2]" 1
410 1 21 MET ME 1 45 TRP HH2 1.800 . 4.070 2.906 2.702 3.203 . 0 0 "[ . 1 . 2]" 1
411 1 21 MET ME 1 45 TRP HZ2 1.800 . 4.190 2.978 2.554 3.285 . 0 0 "[ . 1 . 2]" 1
412 1 21 MET ME 1 45 TRP HZ3 1.800 . 4.360 3.784 3.327 4.107 . 0 0 "[ . 1 . 2]" 1
413 1 21 MET ME 1 58 ILE HA 1.800 . 5.050 3.417 2.993 3.834 . 0 0 "[ . 1 . 2]" 1
414 1 21 MET ME 1 58 ILE MD 1.800 . 3.170 2.708 1.867 3.207 0.037 8 0 "[ . 1 . 2]" 1
415 1 21 MET ME 1 58 ILE MG 1.800 . 3.970 2.034 1.787 2.709 0.013 13 0 "[ . 1 . 2]" 1
416 1 21 MET ME 1 21 MET QG 1.800 . 3.740 2.393 2.339 2.462 . 0 0 "[ . 1 . 2]" 1
417 1 21 MET QG 1 22 THR H 1.800 . 4.600 4.238 4.140 4.301 . 0 0 "[ . 1 . 2]" 1
418 1 21 MET QG 1 33 VAL MG1 1.800 . 5.630 3.425 2.784 4.092 . 0 0 "[ . 1 . 2]" 1
419 1 21 MET QG 1 33 VAL MG2 1.800 . 5.440 3.418 3.037 3.664 . 0 0 "[ . 1 . 2]" 1
420 1 21 MET QG 1 45 TRP QB 1.800 . 5.510 4.048 3.331 4.861 . 0 0 "[ . 1 . 2]" 1
421 1 21 MET QG 1 45 TRP HZ2 1.800 . 5.400 4.771 3.795 5.579 0.179 5 0 "[ . 1 . 2]" 1
422 1 21 MET QG 1 58 ILE MD 1.800 . 5.870 3.543 2.052 5.288 . 0 0 "[ . 1 . 2]" 1
423 1 21 MET H 1 21 MET HB3 1.800 . 4.000 3.624 3.578 3.657 . 0 0 "[ . 1 . 2]" 1
424 1 21 MET H 1 21 MET HB2 1.800 . 4.000 2.522 2.457 2.639 . 0 0 "[ . 1 . 2]" 1
425 1 21 MET H 1 21 MET ME 1.800 . 5.290 4.807 4.685 4.916 . 0 0 "[ . 1 . 2]" 1
426 1 21 MET H 1 21 MET QG 1.800 . 3.420 2.284 2.117 2.412 . 0 0 "[ . 1 . 2]" 1
427 1 21 MET H 1 22 THR H 1.800 . 3.820 2.611 2.544 2.693 . 0 0 "[ . 1 . 2]" 1
428 1 21 MET H 1 23 GLU H 1.800 . 5.480 4.135 3.920 4.279 . 0 0 "[ . 1 . 2]" 1
429 1 21 MET H 1 24 LEU MD1 1.800 . 5.220 4.499 3.786 4.910 . 0 0 "[ . 1 . 2]" 1
430 1 22 THR HA 1 22 THR MG 1.800 . 3.550 2.445 2.380 2.486 . 0 0 "[ . 1 . 2]" 1
431 1 22 THR HA 1 25 ASP HA 1.800 . 4.890 3.484 3.053 4.053 . 0 0 "[ . 1 . 2]" 1
432 1 22 THR HA 1 25 ASP H 1.800 . 4.600 3.497 3.260 3.853 . 0 0 "[ . 1 . 2]" 1
433 1 22 THR HA 1 26 CYS H 1.800 . 4.660 4.014 3.423 4.320 . 0 0 "[ . 1 . 2]" 1
434 1 22 THR HA 1 27 THR HB 1.800 . 5.540 3.937 2.242 5.423 . 0 0 "[ . 1 . 2]" 1
435 1 22 THR HA 1 27 THR MG 1.800 . 3.490 2.284 1.942 2.790 . 0 0 "[ . 1 . 2]" 1
436 1 22 THR HA 1 27 THR H 1.800 . 5.680 4.104 3.499 5.069 . 0 0 "[ . 1 . 2]" 1
437 1 22 THR HB 1 23 GLU H 1.800 . 3.720 2.690 2.534 2.926 . 0 0 "[ . 1 . 2]" 1
438 1 22 THR MG 1 23 GLU HA 1.800 . 4.940 3.745 3.555 4.014 . 0 0 "[ . 1 . 2]" 1
439 1 22 THR MG 1 23 GLU H 1.800 . 4.180 3.628 3.482 3.843 . 0 0 "[ . 1 . 2]" 1
440 1 22 THR MG 1 24 LEU H 1.800 . 5.870 5.145 5.024 5.293 . 0 0 "[ . 1 . 2]" 1
441 1 22 THR MG 1 25 ASP H 1.800 . 5.710 4.555 4.439 4.773 . 0 0 "[ . 1 . 2]" 1
442 1 22 THR H 1 22 THR HB 1.800 . 3.320 2.568 2.510 2.643 . 0 0 "[ . 1 . 2]" 1
443 1 22 THR H 1 22 THR MG 1.800 . 4.420 3.821 3.795 3.841 . 0 0 "[ . 1 . 2]" 1
444 1 22 THR H 1 23 GLU QB 1.800 . 5.320 4.353 4.137 4.724 . 0 0 "[ . 1 . 2]" 1
445 1 22 THR H 1 23 GLU H 1.800 . 3.590 2.563 2.403 2.655 . 0 0 "[ . 1 . 2]" 1
446 1 22 THR H 1 24 LEU MD1 1.800 . 5.650 5.584 4.885 5.827 0.177 8 0 "[ . 1 . 2]" 1
447 1 22 THR H 1 24 LEU H 1.800 . 5.300 4.000 3.842 4.175 . 0 0 "[ . 1 . 2]" 1
448 1 22 THR H 1 27 THR MG 1.800 . 4.920 3.551 2.770 4.255 . 0 0 "[ . 1 . 2]" 1
449 1 23 GLU HA 1 23 GLU HG3 1.800 . 4.290 3.034 2.412 3.824 . 0 0 "[ . 1 . 2]" 1
450 1 23 GLU HA 1 23 GLU HG2 1.800 . 4.290 3.367 2.587 3.905 . 0 0 "[ . 1 . 2]" 1
451 1 23 GLU HA 1 25 ASP H 1.800 . 4.870 3.872 3.555 4.073 . 0 0 "[ . 1 . 2]" 1
452 1 23 GLU QB 1 24 LEU H 1.800 . 3.790 2.673 2.468 3.126 . 0 0 "[ . 1 . 2]" 1
453 1 23 GLU HB3 1 24 LEU MD1 1.800 . 6.050 4.762 4.082 5.875 . 0 0 "[ . 1 . 2]" 1
454 1 23 GLU HB3 1 24 LEU MD2 1.800 . 6.050 3.823 3.301 4.285 . 0 0 "[ . 1 . 2]" 1
455 1 23 GLU HB3 1 25 ASP H 1.800 . 6.050 4.913 4.647 5.414 . 0 0 "[ . 1 . 2]" 1
456 1 23 GLU HB2 1 24 LEU MD1 1.800 . 6.050 5.492 4.189 6.192 0.142 17 0 "[ . 1 . 2]" 1
457 1 23 GLU HB2 1 24 LEU MD2 1.800 . 6.050 4.736 3.358 5.417 . 0 0 "[ . 1 . 2]" 1
458 1 23 GLU HB2 1 25 ASP H 1.800 . 6.050 5.263 4.735 5.537 . 0 0 "[ . 1 . 2]" 1
459 1 23 GLU QG 1 24 LEU H 1.800 . 4.880 3.915 3.302 4.861 . 0 0 "[ . 1 . 2]" 1
460 1 23 GLU H 1 23 GLU HB3 1.800 . 3.560 2.828 2.292 3.622 0.062 10 0 "[ . 1 . 2]" 1
461 1 23 GLU H 1 23 GLU HB2 1.800 . 3.560 2.506 2.242 2.715 . 0 0 "[ . 1 . 2]" 1
462 1 23 GLU H 1 23 GLU QG 1.800 . 5.310 3.571 2.172 4.100 . 0 0 "[ . 1 . 2]" 1
463 1 23 GLU H 1 24 LEU MD1 1.800 . 5.450 5.250 4.912 5.367 . 0 0 "[ . 1 . 2]" 1
464 1 23 GLU H 1 24 LEU HG 1.800 . 4.970 4.341 4.176 4.651 . 0 0 "[ . 1 . 2]" 1
465 1 23 GLU H 1 24 LEU H 1.800 . 3.820 2.582 2.498 2.727 . 0 0 "[ . 1 . 2]" 1
466 1 23 GLU H 1 25 ASP H 1.800 . 4.970 3.816 3.682 4.039 . 0 0 "[ . 1 . 2]" 1
467 1 24 LEU HA 1 24 LEU MD2 1.800 . 3.310 2.132 2.037 2.224 . 0 0 "[ . 1 . 2]" 1
468 1 24 LEU QB 1 24 LEU MD1 1.800 . 3.760 2.148 2.115 2.168 . 0 0 "[ . 1 . 2]" 1
469 1 24 LEU QB 1 24 LEU MD2 1.800 . 3.790 2.378 2.312 2.435 . 0 0 "[ . 1 . 2]" 1
470 1 24 LEU HB3 1 25 ASP H 1.800 . 4.990 4.270 4.107 4.405 . 0 0 "[ . 1 . 2]" 1
471 1 24 LEU HB3 1 26 CYS QB 1.800 . 5.780 3.872 2.898 4.645 . 0 0 "[ . 1 . 2]" 1
472 1 24 LEU HB3 1 26 CYS H 1.800 . 6.040 4.125 3.366 4.808 . 0 0 "[ . 1 . 2]" 1
473 1 24 LEU HB2 1 25 ASP H 1.800 . 4.990 3.476 3.291 3.714 . 0 0 "[ . 1 . 2]" 1
474 1 24 LEU HB2 1 26 CYS QB 1.800 . 5.780 3.120 2.430 3.819 . 0 0 "[ . 1 . 2]" 1
475 1 24 LEU HB2 1 26 CYS H 1.800 . 6.040 3.164 2.576 3.802 . 0 0 "[ . 1 . 2]" 1
476 1 24 LEU MD1 1 25 ASP H 1.800 . 6.050 5.195 4.983 5.407 . 0 0 "[ . 1 . 2]" 1
477 1 24 LEU MD1 1 26 CYS H 1.800 . 5.360 4.897 4.298 5.421 0.061 9 0 "[ . 1 . 2]" 1
478 1 24 LEU MD2 1 25 ASP H 1.800 . 6.050 4.746 4.635 4.875 . 0 0 "[ . 1 . 2]" 1
479 1 24 LEU HG 1 25 ASP H 1.800 . 5.250 4.658 4.528 4.791 . 0 0 "[ . 1 . 2]" 1
480 1 24 LEU HG 1 26 CYS H 1.800 . 6.050 5.382 4.866 5.968 . 0 0 "[ . 1 . 2]" 1
481 1 24 LEU H 1 24 LEU HB3 1.800 . 4.190 3.622 3.557 3.663 . 0 0 "[ . 1 . 2]" 1
482 1 24 LEU H 1 24 LEU HB2 1.800 . 4.190 2.470 2.406 2.551 . 0 0 "[ . 1 . 2]" 1
483 1 24 LEU H 1 24 LEU MD1 1.800 . 3.770 3.704 3.428 3.829 0.059 16 0 "[ . 1 . 2]" 1
484 1 24 LEU H 1 24 LEU MD2 1.800 . 5.240 3.473 3.267 3.662 . 0 0 "[ . 1 . 2]" 1
485 1 24 LEU H 1 24 LEU HG 1.800 . 3.640 2.472 2.267 2.601 . 0 0 "[ . 1 . 2]" 1
486 1 24 LEU H 1 25 ASP HA 1.800 . 5.390 4.626 4.483 4.779 . 0 0 "[ . 1 . 2]" 1
487 1 24 LEU H 1 25 ASP H 1.800 . 3.960 2.450 2.334 2.586 . 0 0 "[ . 1 . 2]" 1
488 1 24 LEU H 1 26 CYS H 1.800 . 5.060 3.826 3.552 4.399 . 0 0 "[ . 1 . 2]" 1
489 1 24 LEU H 1 27 THR MG 1.800 . 6.050 5.268 4.838 5.644 . 0 0 "[ . 1 . 2]" 1
490 1 25 ASP HA 1 26 CYS H 1.800 . 3.540 2.848 2.520 3.070 . 0 0 "[ . 1 . 2]" 1
491 1 25 ASP HA 1 27 THR MG 1.800 . 4.650 3.649 2.708 4.711 0.061 20 0 "[ . 1 . 2]" 1
492 1 25 ASP QB 1 26 CYS H 1.800 . 4.490 3.856 3.704 4.073 . 0 0 "[ . 1 . 2]" 1
493 1 25 ASP H 1 25 ASP QB 1.800 . 3.880 3.127 2.920 3.418 . 0 0 "[ . 1 . 2]" 1
494 1 25 ASP H 1 26 CYS H 1.800 . 3.620 2.648 2.565 2.823 . 0 0 "[ . 1 . 2]" 1
495 1 25 ASP H 1 27 THR MG 1.800 . 6.050 4.335 3.838 4.919 . 0 0 "[ . 1 . 2]" 1
496 1 26 CYS HA 1 27 THR H 1.800 . 3.590 2.967 2.754 3.198 . 0 0 "[ . 1 . 2]" 1
497 1 26 CYS HA 1 28 ASP H 1.800 . 5.260 3.598 3.081 4.274 . 0 0 "[ . 1 . 2]" 1
498 1 26 CYS HA 1 31 TYR QD 1.800 . 4.830 3.502 2.632 4.360 . 0 0 "[ . 1 . 2]" 1
499 1 26 CYS HA 1 31 TYR QE 1.800 . 4.840 3.770 3.188 4.469 . 0 0 "[ . 1 . 2]" 1
500 1 26 CYS QB 1 31 TYR QD 1.800 . 5.290 3.572 2.742 4.692 . 0 0 "[ . 1 . 2]" 1
501 1 26 CYS QB 1 58 ILE MG 1.800 . 5.200 2.403 1.816 3.492 . 0 0 "[ . 1 . 2]" 1
502 1 26 CYS HB3 1 27 THR H 1.800 . 5.680 4.452 3.790 4.578 . 0 0 "[ . 1 . 2]" 1
503 1 26 CYS HB2 1 27 THR H 1.800 . 5.680 4.175 3.806 4.639 . 0 0 "[ . 1 . 2]" 1
504 1 26 CYS H 1 26 CYS HB3 1.800 . 4.270 3.493 2.508 3.768 . 0 0 "[ . 1 . 2]" 1
505 1 26 CYS H 1 26 CYS HB2 1.800 . 4.270 2.560 2.350 2.811 . 0 0 "[ . 1 . 2]" 1
506 1 26 CYS H 1 27 THR MG 1.800 . 4.110 3.559 3.013 3.941 . 0 0 "[ . 1 . 2]" 1
507 1 26 CYS H 1 27 THR H 1.800 . 4.150 2.778 2.300 3.145 . 0 0 "[ . 1 . 2]" 1
508 1 27 THR HA 1 27 THR MG 1.800 . 3.640 2.812 2.293 3.284 . 0 0 "[ . 1 . 2]" 1
509 1 27 THR HA 1 31 TYR QD 1.800 . 5.150 4.115 3.141 5.301 0.151 2 0 "[ . 1 . 2]" 1
510 1 27 THR HA 1 45 TRP HH2 1.800 . 5.240 3.204 2.738 4.272 . 0 0 "[ . 1 . 2]" 1
511 1 27 THR HA 1 45 TRP HZ3 1.800 . 4.880 2.714 1.875 3.933 . 0 0 "[ . 1 . 2]" 1
512 1 27 THR HB 1 28 ASP H 1.800 . 5.500 4.268 3.416 4.640 . 0 0 "[ . 1 . 2]" 1
513 1 27 THR HB 1 45 TRP HH2 1.800 . 6.050 4.977 4.058 5.792 . 0 0 "[ . 1 . 2]" 1
514 1 27 THR HB 1 45 TRP HZ3 1.800 . 5.840 3.374 2.164 4.219 . 0 0 "[ . 1 . 2]" 1
515 1 27 THR MG 1 28 ASP H 1.800 . 5.100 3.742 2.507 4.500 . 0 0 "[ . 1 . 2]" 1
516 1 27 THR MG 1 45 TRP HZ3 1.800 . 4.840 3.071 1.693 4.898 0.107 8 0 "[ . 1 . 2]" 1
517 1 27 THR H 1 27 THR MG 1.800 . 3.730 2.525 2.020 3.085 . 0 0 "[ . 1 . 2]" 1
518 1 27 THR H 1 28 ASP HB3 1.800 . 6.050 4.828 3.871 6.011 . 0 0 "[ . 1 . 2]" 1
519 1 27 THR H 1 28 ASP HB2 1.800 . 6.050 4.563 3.757 5.756 . 0 0 "[ . 1 . 2]" 1
520 1 27 THR H 1 28 ASP H 1.800 . 3.590 2.244 1.754 3.626 0.046 16 0 "[ . 1 . 2]" 1
521 1 27 THR H 1 31 TYR QE 1.800 . 6.050 5.180 4.094 6.078 0.028 20 0 "[ . 1 . 2]" 1
522 1 28 ASP HA 1 29 GLY H 1.800 . 3.920 3.056 2.143 3.610 . 0 0 "[ . 1 . 2]" 1
523 1 28 ASP QB 1 29 GLY H 1.800 . 4.510 2.912 2.016 4.082 . 0 0 "[ . 1 . 2]" 1
524 1 28 ASP HB3 1 31 TYR QE 1.800 . 5.170 3.883 1.898 5.297 0.127 10 0 "[ . 1 . 2]" 1
525 1 28 ASP HB2 1 31 TYR QE 1.800 . 5.170 4.031 1.840 5.324 0.154 8 0 "[ . 1 . 2]" 1
526 1 28 ASP H 1 31 TYR QD 1.800 . 4.600 3.412 2.303 4.263 . 0 0 "[ . 1 . 2]" 1
527 1 28 ASP H 1 31 TYR QE 1.800 . 4.920 3.917 2.421 4.980 0.060 11 0 "[ . 1 . 2]" 1
528 1 29 GLY H 1 30 HIS H 1.800 . 4.630 3.911 2.628 4.574 . 0 0 "[ . 1 . 2]" 1
529 1 30 HIS QB 1 61 PRO QD 1.800 . 5.840 3.785 2.789 4.716 . 0 0 "[ . 1 . 2]" 1
530 1 30 HIS QB 1 61 PRO QG 1.800 . 5.010 3.892 1.942 5.121 0.111 2 0 "[ . 1 . 2]" 1
531 1 30 HIS H 1 31 TYR QB 1.800 . 5.690 5.087 4.326 5.552 . 0 0 "[ . 1 . 2]" 1
532 1 30 HIS H 1 31 TYR QD 1.800 . 5.530 3.886 3.307 4.648 . 0 0 "[ . 1 . 2]" 1
533 1 30 HIS H 1 31 TYR H 1.800 . 5.040 3.588 2.463 4.148 . 0 0 "[ . 1 . 2]" 1
534 1 31 TYR HA 1 31 TYR QD 1.800 . 4.180 2.920 2.540 3.197 . 0 0 "[ . 1 . 2]" 1
535 1 31 TYR HA 1 32 ALA H 1.800 . 3.760 2.258 2.127 2.467 . 0 0 "[ . 1 . 2]" 1
536 1 31 TYR HA 1 58 ILE MG 1.800 . 5.240 4.436 3.920 4.924 . 0 0 "[ . 1 . 2]" 1
537 1 31 TYR HA 1 60 THR MG 1.800 . 5.590 3.700 2.542 4.933 . 0 0 "[ . 1 . 2]" 1
538 1 31 TYR QB 1 45 TRP HH2 1.800 . 5.780 3.164 2.389 4.136 . 0 0 "[ . 1 . 2]" 1
539 1 31 TYR QB 1 45 TRP HZ2 1.800 . 6.050 4.265 3.382 4.933 . 0 0 "[ . 1 . 2]" 1
540 1 31 TYR HB3 1 32 ALA H 1.800 . 4.770 2.702 2.283 3.406 . 0 0 "[ . 1 . 2]" 1
541 1 31 TYR HB3 1 58 ILE MG 1.800 . 4.970 2.987 2.364 3.634 . 0 0 "[ . 1 . 2]" 1
542 1 31 TYR HB2 1 32 ALA H 1.800 . 4.770 3.825 3.317 4.268 . 0 0 "[ . 1 . 2]" 1
543 1 31 TYR HB2 1 58 ILE MG 1.800 . 4.970 4.221 3.136 5.040 0.070 6 0 "[ . 1 . 2]" 1
544 1 31 TYR QD 1 32 ALA H 1.800 . 5.100 3.771 2.652 4.512 . 0 0 "[ . 1 . 2]" 1
545 1 31 TYR QD 1 58 ILE MG 1.800 . 3.670 2.898 2.020 3.648 . 0 0 "[ . 1 . 2]" 1
546 1 31 TYR QD 1 60 THR HB 1.800 . 5.530 4.217 2.288 5.354 . 0 0 "[ . 1 . 2]" 1
547 1 31 TYR QD 1 60 THR MG 1.800 . 4.070 2.796 1.797 3.996 0.003 12 0 "[ . 1 . 2]" 1
548 1 31 TYR QE 1 58 ILE MG 1.800 . 4.660 4.076 2.359 4.864 0.204 19 0 "[ . 1 . 2]" 1
549 1 31 TYR QE 1 60 THR HB 1.800 . 5.140 4.274 2.388 5.238 0.098 18 0 "[ . 1 . 2]" 1
550 1 31 TYR QE 1 60 THR MG 1.800 . 3.900 2.778 2.265 4.067 0.167 8 0 "[ . 1 . 2]" 1
551 1 31 TYR H 1 31 TYR QD 1.800 . 4.580 3.023 2.181 3.675 . 0 0 "[ . 1 . 2]" 1
552 1 32 ALA HA 1 33 VAL MG1 1.800 . 4.850 3.697 3.426 4.097 . 0 0 "[ . 1 . 2]" 1
553 1 32 ALA HA 1 33 VAL H 1.800 . 3.740 2.441 2.189 2.649 . 0 0 "[ . 1 . 2]" 1
554 1 32 ALA HA 1 45 TRP HE1 1.800 . 5.940 3.733 3.131 4.374 . 0 0 "[ . 1 . 2]" 1
555 1 32 ALA HA 1 45 TRP HH2 1.800 . 5.540 3.815 3.352 4.636 . 0 0 "[ . 1 . 2]" 1
556 1 32 ALA HA 1 45 TRP HZ2 1.800 . 4.270 2.015 1.749 2.660 0.051 13 0 "[ . 1 . 2]" 1
557 1 32 ALA HA 1 58 ILE HA 1.800 . 6.050 5.810 5.215 6.152 0.102 13 0 "[ . 1 . 2]" 1
558 1 32 ALA HA 1 58 ILE MG 1.800 . 5.820 5.099 4.522 5.776 . 0 0 "[ . 1 . 2]" 1
559 1 32 ALA MB 1 33 VAL HA 1.800 . 5.350 4.039 3.905 4.237 . 0 0 "[ . 1 . 2]" 1
560 1 32 ALA MB 1 33 VAL H 1.800 . 3.830 2.358 2.034 3.035 . 0 0 "[ . 1 . 2]" 1
561 1 32 ALA MB 1 39 VAL HA 1.800 . 5.430 4.546 4.039 5.265 . 0 0 "[ . 1 . 2]" 1
562 1 32 ALA MB 1 39 VAL MG1 1.800 . 4.460 2.556 1.858 4.423 . 0 0 "[ . 1 . 2]" 1
563 1 32 ALA MB 1 39 VAL MG2 1.800 . 4.290 3.682 2.022 4.352 0.062 5 0 "[ . 1 . 2]" 1
564 1 32 ALA MB 1 40 VAL H 1.800 . 5.520 4.523 3.668 5.202 . 0 0 "[ . 1 . 2]" 1
565 1 32 ALA MB 1 45 TRP HZ2 1.800 . 6.050 3.658 3.361 4.296 . 0 0 "[ . 1 . 2]" 1
566 1 32 ALA MB 1 59 LEU H 1.800 . 4.810 3.680 3.378 4.075 . 0 0 "[ . 1 . 2]" 1
567 1 32 ALA MB 1 61 PRO QB 1.800 . 4.850 3.699 2.594 4.525 . 0 0 "[ . 1 . 2]" 1
568 1 32 ALA MB 1 61 PRO HD3 1.800 . 5.830 2.665 2.016 3.335 . 0 0 "[ . 1 . 2]" 1
569 1 32 ALA MB 1 61 PRO HD2 1.800 . 5.830 3.678 2.804 4.321 . 0 0 "[ . 1 . 2]" 1
570 1 32 ALA MB 1 61 PRO QG 1.800 . 3.850 2.528 1.961 3.923 0.073 11 0 "[ . 1 . 2]" 1
571 1 32 ALA H 1 33 VAL MG1 1.800 . 6.050 5.599 5.310 5.994 . 0 0 "[ . 1 . 2]" 1
572 1 32 ALA H 1 58 ILE MG 1.800 . 4.740 3.709 3.072 4.241 . 0 0 "[ . 1 . 2]" 1
573 1 32 ALA H 1 59 LEU QB 1.800 . 5.860 3.711 2.727 5.299 . 0 0 "[ . 1 . 2]" 1
574 1 32 ALA H 1 59 LEU MD2 1.800 . 6.130 5.293 2.649 6.172 0.042 19 0 "[ . 1 . 2]" 1
575 1 32 ALA H 1 60 THR MG 1.800 . 5.820 4.719 4.125 5.715 . 0 0 "[ . 1 . 2]" 1
576 1 32 ALA H 1 61 PRO HD3 1.800 . 6.050 2.803 2.053 4.035 . 0 0 "[ . 1 . 2]" 1
577 1 32 ALA H 1 61 PRO HD2 1.800 . 6.050 3.548 2.770 4.210 . 0 0 "[ . 1 . 2]" 1
578 1 32 ALA H 1 61 PRO QG 1.800 . 5.890 3.992 3.238 5.241 . 0 0 "[ . 1 . 2]" 1
579 1 33 VAL HA 1 33 VAL MG1 1.800 . 4.270 3.261 3.241 3.274 . 0 0 "[ . 1 . 2]" 1
580 1 33 VAL HA 1 33 VAL MG2 1.800 . 3.650 2.408 2.328 2.461 . 0 0 "[ . 1 . 2]" 1
581 1 33 VAL HA 1 34 ALA MB 1.800 . 5.300 3.993 3.861 4.100 . 0 0 "[ . 1 . 2]" 1
582 1 33 VAL HA 1 34 ALA H 1.800 . 3.040 2.237 2.159 2.348 . 0 0 "[ . 1 . 2]" 1
583 1 33 VAL HA 1 39 VAL MG2 1.800 . 6.050 5.334 4.391 5.870 . 0 0 "[ . 1 . 2]" 1
584 1 33 VAL HA 1 57 GLU H 1.800 . 5.310 4.844 4.157 5.304 . 0 0 "[ . 1 . 2]" 1
585 1 33 VAL HA 1 58 ILE HA 1.800 . 3.770 2.371 2.020 2.744 . 0 0 "[ . 1 . 2]" 1
586 1 33 VAL HA 1 58 ILE MD 1.800 . 5.800 4.609 2.903 5.478 . 0 0 "[ . 1 . 2]" 1
587 1 33 VAL HA 1 58 ILE QG 1.800 . 5.620 3.876 2.715 5.167 . 0 0 "[ . 1 . 2]" 1
588 1 33 VAL HA 1 58 ILE MG 1.800 . 6.050 3.855 3.292 4.412 . 0 0 "[ . 1 . 2]" 1
589 1 33 VAL HA 1 59 LEU MD1 1.800 . 5.070 3.989 2.665 5.110 0.040 1 0 "[ . 1 . 2]" 1
590 1 33 VAL HA 1 59 LEU HG 1.800 . 6.050 4.347 2.947 5.918 . 0 0 "[ . 1 . 2]" 1
591 1 33 VAL HA 1 59 LEU H 1.800 . 5.490 2.829 2.076 3.723 . 0 0 "[ . 1 . 2]" 1
592 1 33 VAL HB 1 34 ALA H 1.800 . 5.320 4.099 3.944 4.367 . 0 0 "[ . 1 . 2]" 1
593 1 33 VAL HB 1 40 VAL HB 1.800 . 5.890 4.793 4.583 5.034 . 0 0 "[ . 1 . 2]" 1
594 1 33 VAL HB 1 40 VAL H 1.800 . 5.950 5.366 5.121 5.558 . 0 0 "[ . 1 . 2]" 1
595 1 33 VAL HB 1 45 TRP HE1 1.800 . 5.170 4.174 3.729 4.769 . 0 0 "[ . 1 . 2]" 1
596 1 33 VAL HB 1 58 ILE HA 1.800 . 5.600 3.898 3.168 4.483 . 0 0 "[ . 1 . 2]" 1
597 1 33 VAL MG1 1 34 ALA HA 1.800 . 5.560 3.870 3.424 4.394 . 0 0 "[ . 1 . 2]" 1
598 1 33 VAL MG1 1 35 LEU QB 1.800 . 5.290 3.722 3.193 4.200 . 0 0 "[ . 1 . 2]" 1
599 1 33 VAL MG1 1 35 LEU H 1.800 . 6.050 3.780 3.268 4.133 . 0 0 "[ . 1 . 2]" 1
600 1 33 VAL MG1 1 40 VAL HB 1.800 . 3.810 1.927 1.805 2.120 . 0 0 "[ . 1 . 2]" 1
601 1 33 VAL MG1 1 40 VAL MG1 1.800 . 4.110 3.135 2.973 3.351 . 0 0 "[ . 1 . 2]" 1
602 1 33 VAL MG1 1 40 VAL MG2 1.800 . 3.870 2.736 2.542 2.932 . 0 0 "[ . 1 . 2]" 1
603 1 33 VAL MG1 1 40 VAL H 1.800 . 4.480 2.690 2.409 3.234 . 0 0 "[ . 1 . 2]" 1
604 1 33 VAL MG1 1 45 TRP HD1 1.800 . 5.040 2.941 2.715 3.244 . 0 0 "[ . 1 . 2]" 1
605 1 33 VAL MG1 1 45 TRP HE1 1.800 . 4.040 1.967 1.755 2.265 0.045 6 0 "[ . 1 . 2]" 1
606 1 33 VAL MG1 1 45 TRP HZ2 1.800 . 4.230 3.328 2.970 3.706 . 0 0 "[ . 1 . 2]" 1
607 1 33 VAL MG2 1 34 ALA HA 1.800 . 5.830 3.754 3.610 4.106 . 0 0 "[ . 1 . 2]" 1
608 1 33 VAL MG2 1 34 ALA MB 1.800 . 4.830 3.969 3.858 4.070 . 0 0 "[ . 1 . 2]" 1
609 1 33 VAL MG2 1 34 ALA H 1.800 . 3.490 2.397 2.040 3.035 . 0 0 "[ . 1 . 2]" 1
610 1 33 VAL MG2 1 35 LEU QB 1.800 . 5.100 3.263 2.738 3.975 . 0 0 "[ . 1 . 2]" 1
611 1 33 VAL MG2 1 35 LEU H 1.800 . 6.050 3.511 3.225 3.977 . 0 0 "[ . 1 . 2]" 1
612 1 33 VAL MG2 1 45 TRP HZ2 1.800 . 5.780 5.489 4.847 5.784 0.004 14 0 "[ . 1 . 2]" 1
613 1 33 VAL MG2 1 57 GLU H 1.800 . 4.310 3.479 2.533 3.970 . 0 0 "[ . 1 . 2]" 1
614 1 33 VAL MG2 1 58 ILE HA 1.800 . 4.530 3.214 2.406 3.917 . 0 0 "[ . 1 . 2]" 1
615 1 33 VAL MG2 1 58 ILE QG 1.800 . 5.050 3.062 2.018 4.088 . 0 0 "[ . 1 . 2]" 1
616 1 33 VAL H 1 33 VAL MG1 1.800 . 4.070 2.213 1.983 2.487 . 0 0 "[ . 1 . 2]" 1
617 1 33 VAL H 1 33 VAL MG2 1.800 . 5.030 3.969 3.872 4.061 . 0 0 "[ . 1 . 2]" 1
618 1 33 VAL H 1 39 VAL MG1 1.800 . 6.050 3.446 2.893 5.583 . 0 0 "[ . 1 . 2]" 1
619 1 33 VAL H 1 39 VAL MG2 1.800 . 5.800 4.771 2.677 5.330 . 0 0 "[ . 1 . 2]" 1
620 1 33 VAL H 1 45 TRP HZ2 1.800 . 4.830 3.300 2.609 4.022 . 0 0 "[ . 1 . 2]" 1
621 1 34 ALA HA 1 35 LEU QB 1.800 . 5.390 4.166 4.074 4.267 . 0 0 "[ . 1 . 2]" 1
622 1 34 ALA HA 1 35 LEU H 1.800 . 3.290 2.162 2.097 2.212 . 0 0 "[ . 1 . 2]" 1
623 1 34 ALA HA 1 39 VAL HA 1.800 . 3.450 2.004 1.773 2.301 0.027 5 0 "[ . 1 . 2]" 1
624 1 34 ALA HA 1 39 VAL HB 1.800 . 5.170 4.850 3.789 5.257 0.087 12 0 "[ . 1 . 2]" 1
625 1 34 ALA HA 1 39 VAL MG2 1.800 . 4.210 3.391 2.969 3.889 . 0 0 "[ . 1 . 2]" 1
626 1 34 ALA HA 1 40 VAL MG2 1.800 . 4.250 3.443 2.945 3.855 . 0 0 "[ . 1 . 2]" 1
627 1 34 ALA HA 1 40 VAL H 1.800 . 3.970 3.004 2.545 3.329 . 0 0 "[ . 1 . 2]" 1
628 1 34 ALA MB 1 35 LEU H 1.800 . 4.290 3.476 3.353 3.557 . 0 0 "[ . 1 . 2]" 1
629 1 34 ALA MB 1 36 ASN H 1.800 . 5.500 4.755 4.420 5.038 . 0 0 "[ . 1 . 2]" 1
630 1 34 ALA MB 1 37 TYR HA 1.800 . 4.220 2.485 1.996 3.374 . 0 0 "[ . 1 . 2]" 1
631 1 34 ALA MB 1 37 TYR H 1.800 . 4.270 3.247 2.891 3.662 . 0 0 "[ . 1 . 2]" 1
632 1 34 ALA MB 1 38 ASP H 1.800 . 4.330 3.335 2.864 3.763 . 0 0 "[ . 1 . 2]" 1
633 1 34 ALA MB 1 39 VAL HA 1.800 . 4.040 2.960 2.516 3.263 . 0 0 "[ . 1 . 2]" 1
634 1 34 ALA MB 1 57 GLU HA 1.800 . 5.950 4.506 4.222 5.055 . 0 0 "[ . 1 . 2]" 1
635 1 34 ALA MB 1 57 GLU HB3 1.800 . 4.590 2.292 1.765 4.408 0.035 4 0 "[ . 1 . 2]" 1
636 1 34 ALA MB 1 57 GLU HB2 1.800 . 4.590 3.375 1.807 4.205 . 0 0 "[ . 1 . 2]" 1
637 1 34 ALA MB 1 57 GLU QG 1.800 . 4.700 3.158 1.751 3.768 0.049 13 0 "[ . 1 . 2]" 1
638 1 34 ALA MB 1 57 GLU H 1.800 . 4.230 3.144 2.781 3.701 . 0 0 "[ . 1 . 2]" 1
639 1 34 ALA MB 1 59 LEU MD1 1.800 . 3.720 2.333 1.947 3.505 . 0 0 "[ . 1 . 2]" 1
640 1 34 ALA MB 1 59 LEU MD2 1.800 . 5.000 3.527 2.913 4.595 . 0 0 "[ . 1 . 2]" 1
641 1 34 ALA H 1 34 ALA MB 1.800 . 3.560 2.481 2.271 2.600 . 0 0 "[ . 1 . 2]" 1
642 1 34 ALA H 1 35 LEU H 1.800 . 4.800 3.997 3.915 4.151 . 0 0 "[ . 1 . 2]" 1
643 1 34 ALA H 1 39 VAL HA 1.800 . 5.130 4.394 4.184 4.663 . 0 0 "[ . 1 . 2]" 1
644 1 34 ALA H 1 39 VAL MG2 1.800 . 5.800 4.762 4.146 5.408 . 0 0 "[ . 1 . 2]" 1
645 1 34 ALA H 1 57 GLU HB3 1.800 . 5.850 3.750 2.853 5.495 . 0 0 "[ . 1 . 2]" 1
646 1 34 ALA H 1 57 GLU HB2 1.800 . 5.850 4.778 2.783 5.412 . 0 0 "[ . 1 . 2]" 1
647 1 34 ALA H 1 58 ILE HA 1.800 . 4.850 3.538 3.107 4.007 . 0 0 "[ . 1 . 2]" 1
648 1 34 ALA H 1 58 ILE MD 1.800 . 6.050 5.572 3.998 6.257 0.207 13 0 "[ . 1 . 2]" 1
649 1 34 ALA H 1 58 ILE QG 1.800 . 5.870 4.721 3.778 5.954 0.084 6 0 "[ . 1 . 2]" 1
650 1 34 ALA H 1 59 LEU MD1 1.800 . 4.590 3.901 2.548 4.605 0.015 8 0 "[ . 1 . 2]" 1
651 1 34 ALA H 1 59 LEU HG 1.800 . 5.810 4.161 3.081 5.799 . 0 0 "[ . 1 . 2]" 1
652 1 35 LEU HA 1 35 LEU MD1 1.800 . 4.160 2.200 2.112 2.347 . 0 0 "[ . 1 . 2]" 1
653 1 35 LEU HA 1 36 ASN H 1.800 . 3.290 2.143 2.109 2.195 . 0 0 "[ . 1 . 2]" 1
654 1 35 LEU HA 1 56 ILE HG13 1.800 . 5.510 4.145 3.006 4.738 . 0 0 "[ . 1 . 2]" 1
655 1 35 LEU HA 1 56 ILE HG12 1.800 . 5.510 3.514 2.359 5.072 . 0 0 "[ . 1 . 2]" 1
656 1 35 LEU QB 1 35 LEU MD1 1.800 . 3.610 2.351 2.291 2.402 . 0 0 "[ . 1 . 2]" 1
657 1 35 LEU QB 1 36 ASN H 1.800 . 4.410 3.892 3.793 3.966 . 0 0 "[ . 1 . 2]" 1
658 1 35 LEU QB 1 40 VAL MG2 1.800 . 3.200 2.229 2.056 2.572 . 0 0 "[ . 1 . 2]" 1
659 1 35 LEU QB 1 48 THR MG 1.800 . 4.040 3.222 2.868 3.616 . 0 0 "[ . 1 . 2]" 1
660 1 35 LEU HB3 1 35 LEU MD2 1.800 . 3.610 2.332 2.262 2.411 . 0 0 "[ . 1 . 2]" 1
661 1 35 LEU HB2 1 35 LEU MD2 1.800 . 3.610 2.514 2.422 2.629 . 0 0 "[ . 1 . 2]" 1
662 1 35 LEU MD1 1 36 ASN HA 1.800 . 5.280 4.505 3.872 5.065 . 0 0 "[ . 1 . 2]" 1
663 1 35 LEU MD1 1 36 ASN QB 1.800 . 5.870 4.288 3.902 5.146 . 0 0 "[ . 1 . 2]" 1
664 1 35 LEU MD1 1 36 ASN HD21 1.800 . 5.030 3.758 2.169 5.087 0.057 4 0 "[ . 1 . 2]" 1
665 1 35 LEU MD1 1 36 ASN HD22 1.800 . 5.030 3.417 2.582 4.532 . 0 0 "[ . 1 . 2]" 1
666 1 35 LEU MD1 1 36 ASN H 1.800 . 3.890 2.823 2.185 3.342 . 0 0 "[ . 1 . 2]" 1
667 1 35 LEU MD1 1 54 ASP HA 1.800 . 4.940 4.332 3.883 5.049 0.109 1 0 "[ . 1 . 2]" 1
668 1 35 LEU MD1 1 54 ASP QB 1.800 . 3.770 2.259 1.953 3.186 . 0 0 "[ . 1 . 2]" 1
669 1 35 LEU MD1 1 55 GLU H 1.800 . 5.240 3.845 3.114 4.878 . 0 0 "[ . 1 . 2]" 1
670 1 35 LEU MD1 1 56 ILE HA 1.800 . 4.730 3.259 2.919 3.719 . 0 0 "[ . 1 . 2]" 1
671 1 35 LEU MD1 1 56 ILE QG 1.800 . 3.580 1.993 1.793 2.218 0.007 12 0 "[ . 1 . 2]" 1
672 1 35 LEU MD1 1 56 ILE H 1.800 . 5.120 4.325 3.974 4.831 . 0 0 "[ . 1 . 2]" 1
673 1 35 LEU MD2 1 36 ASN QB 1.800 . 5.870 4.518 4.329 4.799 . 0 0 "[ . 1 . 2]" 1
674 1 35 LEU MD2 1 36 ASN HD21 1.800 . 5.120 4.166 3.239 5.277 0.157 14 0 "[ . 1 . 2]" 1
675 1 35 LEU MD2 1 36 ASN HD22 1.800 . 5.120 4.148 3.335 4.962 . 0 0 "[ . 1 . 2]" 1
676 1 35 LEU MD2 1 40 VAL MG2 1.800 . 3.750 2.948 2.562 3.326 . 0 0 "[ . 1 . 2]" 1
677 1 35 LEU MD2 1 48 THR HB 1.800 . 4.720 4.195 3.897 4.519 . 0 0 "[ . 1 . 2]" 1
678 1 35 LEU MD2 1 48 THR MG 1.800 . 3.470 2.057 1.902 2.263 . 0 0 "[ . 1 . 2]" 1
679 1 35 LEU HG 1 36 ASN QB 1.800 . 4.830 3.452 3.185 4.238 . 0 0 "[ . 1 . 2]" 1
680 1 35 LEU HG 1 36 ASN HD21 1.800 . 5.590 3.161 1.793 4.621 0.007 2 0 "[ . 1 . 2]" 1
681 1 35 LEU HG 1 36 ASN HD22 1.800 . 5.590 3.446 2.535 4.385 . 0 0 "[ . 1 . 2]" 1
682 1 35 LEU HG 1 36 ASN H 1.800 . 4.580 3.483 3.096 3.771 . 0 0 "[ . 1 . 2]" 1
683 1 35 LEU HG 1 55 GLU H 1.800 . 6.050 5.284 4.767 6.079 0.029 19 0 "[ . 1 . 2]" 1
684 1 35 LEU H 1 35 LEU HB3 1.800 . 3.940 2.473 2.366 2.565 . 0 0 "[ . 1 . 2]" 1
685 1 35 LEU H 1 35 LEU HB2 1.800 . 3.940 2.791 2.666 2.878 . 0 0 "[ . 1 . 2]" 1
686 1 35 LEU H 1 35 LEU MD1 1.800 . 5.250 4.316 4.280 4.367 . 0 0 "[ . 1 . 2]" 1
687 1 35 LEU H 1 35 LEU MD2 1.800 . 5.630 4.378 4.311 4.441 . 0 0 "[ . 1 . 2]" 1
688 1 35 LEU H 1 35 LEU HG 1.800 . 5.100 4.470 4.393 4.533 . 0 0 "[ . 1 . 2]" 1
689 1 35 LEU H 1 38 ASP QB 1.800 . 5.130 3.988 3.524 4.296 . 0 0 "[ . 1 . 2]" 1
690 1 35 LEU H 1 38 ASP H 1.800 . 4.310 3.553 3.330 3.819 . 0 0 "[ . 1 . 2]" 1
691 1 35 LEU H 1 39 VAL HA 1.800 . 4.300 3.521 3.271 3.929 . 0 0 "[ . 1 . 2]" 1
692 1 35 LEU H 1 40 VAL MG2 1.800 . 3.770 2.361 1.968 2.681 . 0 0 "[ . 1 . 2]" 1
693 1 36 ASN HA 1 37 TYR QD 1.800 . 5.510 3.589 2.894 4.191 . 0 0 "[ . 1 . 2]" 1
694 1 36 ASN HA 1 37 TYR QE 1.800 . 4.820 4.616 4.033 5.007 0.187 12 0 "[ . 1 . 2]" 1
695 1 36 ASN HA 1 55 GLU QB 1.800 . 4.140 2.464 1.910 3.214 . 0 0 "[ . 1 . 2]" 1
696 1 36 ASN HA 1 55 GLU H 1.800 . 4.580 3.367 2.692 4.085 . 0 0 "[ . 1 . 2]" 1
697 1 36 ASN QD 1 54 ASP QB 1.800 . 5.140 3.098 1.822 3.935 . 0 0 "[ . 1 . 2]" 1
698 1 36 ASN QD 1 55 GLU H 1.800 . 4.540 3.610 2.110 4.189 . 0 0 "[ . 1 . 2]" 1
699 1 36 ASN HD21 1 54 ASP HA 1.800 . 5.530 4.869 3.525 5.698 0.168 1 0 "[ . 1 . 2]" 1
700 1 36 ASN HD22 1 54 ASP HA 1.800 . 5.530 3.687 3.010 5.172 . 0 0 "[ . 1 . 2]" 1
701 1 36 ASN H 1 36 ASN QD 1.800 . 5.320 3.666 2.094 4.659 . 0 0 "[ . 1 . 2]" 1
702 1 36 ASN H 1 36 ASN HD21 1.800 . 6.050 4.014 2.104 5.288 . 0 0 "[ . 1 . 2]" 1
703 1 36 ASN H 1 36 ASN HD22 1.800 . 6.050 4.460 3.690 5.174 . 0 0 "[ . 1 . 2]" 1
704 1 36 ASN H 1 37 TYR H 1.800 . 4.190 2.692 2.429 3.047 . 0 0 "[ . 1 . 2]" 1
705 1 36 ASN H 1 55 GLU QB 1.800 . 4.400 3.280 2.627 4.201 . 0 0 "[ . 1 . 2]" 1
706 1 36 ASN H 1 55 GLU H 1.800 . 4.430 3.460 2.795 4.127 . 0 0 "[ . 1 . 2]" 1
707 1 36 ASN H 1 56 ILE HA 1.800 . 4.740 3.438 2.584 3.951 . 0 0 "[ . 1 . 2]" 1
708 1 36 ASN H 1 56 ILE MD 1.800 . 6.050 5.378 4.016 6.102 0.052 14 0 "[ . 1 . 2]" 1
709 1 36 ASN H 1 56 ILE MG 1.800 . 6.050 5.176 4.179 5.667 . 0 0 "[ . 1 . 2]" 1
710 1 37 TYR HA 1 37 TYR QD 1.800 . 4.410 2.708 2.233 3.087 . 0 0 "[ . 1 . 2]" 1
711 1 37 TYR QE 1 55 GLU QB 1.800 . 4.600 3.463 2.138 4.744 0.144 19 0 "[ . 1 . 2]" 1
712 1 37 TYR H 1 37 TYR QD 1.800 . 5.280 3.438 2.164 3.805 . 0 0 "[ . 1 . 2]" 1
713 1 37 TYR H 1 38 ASP H 1.800 . 3.870 2.737 2.590 2.990 . 0 0 "[ . 1 . 2]" 1
714 1 38 ASP HA 1 39 VAL HB 1.800 . 4.970 4.714 4.486 4.841 . 0 0 "[ . 1 . 2]" 1
715 1 38 ASP HA 1 39 VAL MG1 1.800 . 5.680 5.380 3.854 5.576 . 0 0 "[ . 1 . 2]" 1
716 1 38 ASP HA 1 39 VAL H 1.800 . 3.390 2.173 2.122 2.228 . 0 0 "[ . 1 . 2]" 1
717 1 38 ASP QB 1 39 VAL H 1.800 . 4.540 3.774 3.213 3.953 . 0 0 "[ . 1 . 2]" 1
718 1 38 ASP QB 1 40 VAL MG2 1.800 . 4.740 3.996 3.351 4.717 . 0 0 "[ . 1 . 2]" 1
719 1 38 ASP H 1 38 ASP QB 1.800 . 3.310 2.439 2.289 2.754 . 0 0 "[ . 1 . 2]" 1
720 1 39 VAL HA 1 39 VAL MG1 1.800 . 3.860 2.529 2.395 3.271 . 0 0 "[ . 1 . 2]" 1
721 1 39 VAL HA 1 39 VAL MG2 1.800 . 3.490 2.445 2.378 2.501 . 0 0 "[ . 1 . 2]" 1
722 1 39 VAL HA 1 40 VAL HB 1.800 . 5.190 4.644 4.538 4.807 . 0 0 "[ . 1 . 2]" 1
723 1 39 VAL HA 1 40 VAL MG2 1.800 . 4.160 3.589 3.356 3.745 . 0 0 "[ . 1 . 2]" 1
724 1 39 VAL HA 1 40 VAL H 1.800 . 3.340 2.129 2.087 2.191 . 0 0 "[ . 1 . 2]" 1
725 1 39 VAL HB 1 40 VAL H 1.800 . 4.970 4.230 4.160 4.309 . 0 0 "[ . 1 . 2]" 1
726 1 39 VAL MG1 1 40 VAL HA 1.800 . 4.890 4.043 3.815 4.292 . 0 0 "[ . 1 . 2]" 1
727 1 39 VAL MG1 1 40 VAL HB 1.800 . 6.050 4.730 4.376 5.850 . 0 0 "[ . 1 . 2]" 1
728 1 39 VAL MG1 1 40 VAL H 1.800 . 3.950 2.947 2.662 3.994 0.044 19 0 "[ . 1 . 2]" 1
729 1 39 VAL MG1 1 41 PRO QB 1.800 . 6.050 4.719 4.250 5.348 . 0 0 "[ . 1 . 2]" 1
730 1 39 VAL MG1 1 41 PRO HD3 1.800 . 5.490 4.003 3.475 4.437 . 0 0 "[ . 1 . 2]" 1
731 1 39 VAL MG1 1 41 PRO HD2 1.800 . 5.490 5.051 4.725 5.489 . 0 0 "[ . 1 . 2]" 1
732 1 39 VAL MG1 1 41 PRO QG 1.800 . 6.050 5.121 4.026 5.589 . 0 0 "[ . 1 . 2]" 1
733 1 39 VAL MG2 1 40 VAL HA 1.800 . 5.800 5.562 3.884 5.784 . 0 0 "[ . 1 . 2]" 1
734 1 39 VAL MG2 1 40 VAL H 1.800 . 4.080 3.968 2.580 4.234 0.154 13 0 "[ . 1 . 2]" 1
735 1 39 VAL MG2 1 41 PRO QD 1.800 . 6.010 5.598 3.801 6.049 0.039 4 0 "[ . 1 . 2]" 1
736 1 39 VAL MG2 1 59 LEU MD1 1.800 . 4.810 2.368 1.866 3.793 . 0 0 "[ . 1 . 2]" 1
737 1 39 VAL H 1 39 VAL HB 1.800 . 3.750 2.585 2.485 2.684 . 0 0 "[ . 1 . 2]" 1
738 1 39 VAL H 1 39 VAL MG1 1.800 . 3.760 3.653 2.126 3.845 0.085 1 0 "[ . 1 . 2]" 1
739 1 39 VAL H 1 39 VAL MG2 1.800 . 4.220 2.275 1.977 3.835 . 0 0 "[ . 1 . 2]" 1
740 1 40 VAL HA 1 40 VAL MG1 1.800 . 3.610 2.452 2.397 2.495 . 0 0 "[ . 1 . 2]" 1
741 1 40 VAL HA 1 40 VAL MG2 1.800 . 3.630 2.495 2.447 2.559 . 0 0 "[ . 1 . 2]" 1
742 1 40 VAL HA 1 41 PRO HD3 1.800 . 3.540 2.506 2.038 2.828 . 0 0 "[ . 1 . 2]" 1
743 1 40 VAL HA 1 41 PRO HD2 1.800 . 3.540 2.171 1.894 2.699 . 0 0 "[ . 1 . 2]" 1
744 1 40 VAL HA 1 41 PRO QG 1.800 . 4.790 3.924 3.766 4.017 . 0 0 "[ . 1 . 2]" 1
745 1 40 VAL HA 1 44 LYS QB 1.800 . 6.050 4.106 3.636 4.602 . 0 0 "[ . 1 . 2]" 1
746 1 40 VAL HB 1 45 TRP HD1 1.800 . 4.940 2.870 2.574 3.115 . 0 0 "[ . 1 . 2]" 1
747 1 40 VAL HB 1 45 TRP HE1 1.800 . 4.330 3.194 2.839 3.518 . 0 0 "[ . 1 . 2]" 1
748 1 40 VAL MG1 1 41 PRO HD3 1.800 . 4.270 3.824 3.403 4.124 . 0 0 "[ . 1 . 2]" 1
749 1 40 VAL MG1 1 41 PRO HD2 1.800 . 4.270 2.604 2.269 2.909 . 0 0 "[ . 1 . 2]" 1
750 1 40 VAL MG1 1 44 LYS HB3 1.800 . 4.100 2.741 2.254 3.334 . 0 0 "[ . 1 . 2]" 1
751 1 40 VAL MG1 1 44 LYS HB2 1.800 . 4.100 2.551 2.050 3.757 . 0 0 "[ . 1 . 2]" 1
752 1 40 VAL MG1 1 44 LYS H 1.800 . 5.160 3.651 3.400 3.862 . 0 0 "[ . 1 . 2]" 1
753 1 40 VAL MG1 1 45 TRP HA 1.800 . 4.070 2.652 2.201 3.069 . 0 0 "[ . 1 . 2]" 1
754 1 40 VAL MG1 1 45 TRP HD1 1.800 . 3.340 1.911 1.775 2.092 0.025 10 0 "[ . 1 . 2]" 1
755 1 40 VAL MG1 1 45 TRP HE1 1.800 . 4.480 3.427 3.113 3.719 . 0 0 "[ . 1 . 2]" 1
756 1 40 VAL MG1 1 45 TRP H 1.800 . 4.650 3.322 3.112 3.540 . 0 0 "[ . 1 . 2]" 1
757 1 40 VAL MG1 1 48 THR HB 1.800 . 4.680 2.741 2.381 3.114 . 0 0 "[ . 1 . 2]" 1
758 1 40 VAL MG1 1 48 THR HG1 1.800 . 4.310 2.961 2.046 3.579 . 0 0 "[ . 1 . 2]" 1
759 1 40 VAL MG1 1 48 THR MG 1.800 . 3.520 2.622 2.282 2.987 . 0 0 "[ . 1 . 2]" 1
760 1 40 VAL MG1 1 48 THR H 1.800 . 5.160 4.321 4.019 4.872 . 0 0 "[ . 1 . 2]" 1
761 1 40 VAL MG2 1 41 PRO QD 1.800 . 4.980 3.713 3.579 3.851 . 0 0 "[ . 1 . 2]" 1
762 1 40 VAL MG2 1 48 THR HB 1.800 . 5.170 3.873 3.404 4.507 . 0 0 "[ . 1 . 2]" 1
763 1 40 VAL MG2 1 48 THR MG 1.800 . 3.170 2.287 1.839 2.825 . 0 0 "[ . 1 . 2]" 1
764 1 40 VAL H 1 40 VAL HB 1.800 . 3.780 2.570 2.488 2.690 . 0 0 "[ . 1 . 2]" 1
765 1 40 VAL H 1 40 VAL MG2 1.800 . 3.550 2.392 2.228 2.577 . 0 0 "[ . 1 . 2]" 1
766 1 41 PRO HA 1 42 ARG H 1.800 . 3.550 2.319 2.189 2.401 . 0 0 "[ . 1 . 2]" 1
767 1 41 PRO HA 1 45 TRP HE1 1.800 . 5.720 3.920 3.450 4.315 . 0 0 "[ . 1 . 2]" 1
768 1 41 PRO QB 1 42 ARG QB 1.800 . 5.870 4.396 4.040 5.023 . 0 0 "[ . 1 . 2]" 1
769 1 41 PRO QB 1 44 LYS H 1.800 . 5.180 3.570 2.754 4.070 . 0 0 "[ . 1 . 2]" 1
770 1 41 PRO HB3 1 42 ARG H 1.800 . 4.490 3.588 3.133 3.824 . 0 0 "[ . 1 . 2]" 1
771 1 41 PRO HB3 1 43 GLY H 1.800 . 5.360 4.588 3.845 4.927 . 0 0 "[ . 1 . 2]" 1
772 1 41 PRO HB3 1 44 LYS QG 1.800 . 5.870 5.022 3.875 6.099 0.229 14 0 "[ . 1 . 2]" 1
773 1 41 PRO HB2 1 42 ARG H 1.800 . 4.490 3.052 2.634 3.611 . 0 0 "[ . 1 . 2]" 1
774 1 41 PRO HB2 1 43 GLY H 1.800 . 5.360 3.118 2.834 3.448 . 0 0 "[ . 1 . 2]" 1
775 1 41 PRO HB2 1 44 LYS QG 1.800 . 5.870 3.932 2.453 5.009 . 0 0 "[ . 1 . 2]" 1
776 1 41 PRO QD 1 44 LYS QE 1.800 . 6.050 4.132 1.976 5.585 . 0 0 "[ . 1 . 2]" 1
777 1 41 PRO QD 1 44 LYS QG 1.800 . 4.860 3.518 2.671 4.476 . 0 0 "[ . 1 . 2]" 1
778 1 41 PRO HD3 1 44 LYS QB 1.800 . 5.330 4.272 3.736 4.814 . 0 0 "[ . 1 . 2]" 1
779 1 41 PRO HD3 1 44 LYS QD 1.800 . 5.870 4.295 3.162 5.893 0.023 9 0 "[ . 1 . 2]" 1
780 1 41 PRO HD2 1 44 LYS QB 1.800 . 5.330 2.786 2.137 3.437 . 0 0 "[ . 1 . 2]" 1
781 1 41 PRO HD2 1 44 LYS QD 1.800 . 5.870 3.069 1.794 4.619 0.006 6 0 "[ . 1 . 2]" 1
782 1 41 PRO QG 1 42 ARG H 1.800 . 5.930 4.441 4.139 4.721 . 0 0 "[ . 1 . 2]" 1
783 1 41 PRO QG 1 44 LYS QE 1.800 . 5.010 3.643 2.509 5.048 0.038 2 0 "[ . 1 . 2]" 1
784 1 41 PRO QG 1 44 LYS QG 1.800 . 3.880 2.538 2.016 3.478 . 0 0 "[ . 1 . 2]" 1
785 1 41 PRO QG 1 44 LYS H 1.800 . 4.400 3.565 2.852 4.603 0.203 9 0 "[ . 1 . 2]" 1
786 1 42 ARG HA 1 42 ARG QD 1.800 . 4.210 4.014 2.230 4.529 0.319 16 0 "[ . 1 . 2]" 1
787 1 42 ARG HA 1 42 ARG HE 1.800 . 5.900 4.739 3.182 5.612 . 0 0 "[ . 1 . 2]" 1
788 1 42 ARG HA 1 45 TRP HD1 1.800 . 4.770 3.481 3.147 4.071 . 0 0 "[ . 1 . 2]" 1
789 1 42 ARG HA 1 45 TRP HE1 1.800 . 4.830 3.304 2.875 3.983 . 0 0 "[ . 1 . 2]" 1
790 1 42 ARG HA 1 45 TRP H 1.800 . 4.620 3.317 2.947 3.693 . 0 0 "[ . 1 . 2]" 1
791 1 42 ARG QB 1 42 ARG HE 1.800 . 5.400 2.860 1.903 4.141 . 0 0 "[ . 1 . 2]" 1
792 1 42 ARG QB 1 43 GLY H 1.800 . 4.280 2.742 2.406 3.589 . 0 0 "[ . 1 . 2]" 1
793 1 42 ARG HB3 1 42 ARG QD 1.800 . 4.100 2.725 2.322 3.607 . 0 0 "[ . 1 . 2]" 1
794 1 42 ARG HB2 1 42 ARG QD 1.800 . 4.100 2.630 2.362 3.003 . 0 0 "[ . 1 . 2]" 1
795 1 42 ARG QG 1 43 GLY H 1.800 . 5.680 3.754 2.416 4.210 . 0 0 "[ . 1 . 2]" 1
796 1 42 ARG H 1 42 ARG QB 1.800 . 3.660 2.400 2.232 2.697 . 0 0 "[ . 1 . 2]" 1
797 1 42 ARG H 1 42 ARG QD 1.800 . 5.100 4.301 3.249 4.821 . 0 0 "[ . 1 . 2]" 1
798 1 42 ARG H 1 42 ARG HG3 1.800 . 5.040 3.525 2.036 4.513 . 0 0 "[ . 1 . 2]" 1
799 1 42 ARG H 1 42 ARG HG2 1.800 . 5.040 3.951 2.309 4.619 . 0 0 "[ . 1 . 2]" 1
800 1 42 ARG H 1 45 TRP HE1 1.800 . 5.490 4.233 3.940 4.763 . 0 0 "[ . 1 . 2]" 1
801 1 43 GLY QA 1 44 LYS HA 1.800 . 4.920 4.079 4.031 4.108 . 0 0 "[ . 1 . 2]" 1
802 1 43 GLY H 1 44 LYS H 1.800 . 4.400 2.775 2.686 2.875 . 0 0 "[ . 1 . 2]" 1
803 1 44 LYS HA 1 44 LYS QD 1.800 . 3.950 3.633 2.018 4.189 0.239 6 0 "[ . 1 . 2]" 1
804 1 44 LYS HA 1 44 LYS QG 1.800 . 3.950 2.459 2.301 2.967 . 0 0 "[ . 1 . 2]" 1
805 1 44 LYS HA 1 45 TRP H 1.800 . 3.880 3.429 3.301 3.521 . 0 0 "[ . 1 . 2]" 1
806 1 44 LYS QB 1 44 LYS QD 1.800 . 4.020 2.256 2.142 2.438 . 0 0 "[ . 1 . 2]" 1
807 1 44 LYS QB 1 44 LYS QE 1.800 . 5.410 3.307 1.922 3.824 . 0 0 "[ . 1 . 2]" 1
808 1 44 LYS QB 1 48 THR H 1.800 . 4.990 4.371 3.930 5.154 0.164 14 0 "[ . 1 . 2]" 1
809 1 44 LYS HB3 1 48 THR HG1 1.800 . 5.200 2.679 2.168 4.070 . 0 0 "[ . 1 . 2]" 1
810 1 44 LYS HB2 1 48 THR HG1 1.800 . 5.200 3.990 3.467 5.235 0.035 14 0 "[ . 1 . 2]" 1
811 1 44 LYS H 1 44 LYS QG 1.800 . 4.040 3.129 2.752 4.114 0.074 14 0 "[ . 1 . 2]" 1
812 1 44 LYS H 1 45 TRP H 1.800 . 3.290 2.169 1.901 2.398 . 0 0 "[ . 1 . 2]" 1
813 1 45 TRP HA 1 45 TRP HD1 1.800 . 3.690 2.343 2.234 2.411 . 0 0 "[ . 1 . 2]" 1
814 1 45 TRP HA 1 45 TRP HE1 1.800 . 5.900 4.780 4.679 4.843 . 0 0 "[ . 1 . 2]" 1
815 1 45 TRP HA 1 47 GLU H 1.800 . 5.190 4.557 4.318 4.706 . 0 0 "[ . 1 . 2]" 1
816 1 45 TRP HA 1 48 THR HB 1.800 . 4.460 2.836 2.425 3.229 . 0 0 "[ . 1 . 2]" 1
817 1 45 TRP HA 1 48 THR HG1 1.800 . 5.040 3.852 3.317 4.297 . 0 0 "[ . 1 . 2]" 1
818 1 45 TRP HA 1 48 THR H 1.800 . 4.390 3.658 3.290 3.901 . 0 0 "[ . 1 . 2]" 1
819 1 45 TRP HB3 1 45 TRP HE3 1.800 . 4.360 2.955 2.803 3.091 . 0 0 "[ . 1 . 2]" 1
820 1 45 TRP HB3 1 46 ASP H 1.800 . 4.350 3.562 3.354 3.830 . 0 0 "[ . 1 . 2]" 1
821 1 45 TRP HB2 1 45 TRP HE3 1.800 . 4.360 2.893 2.770 3.027 . 0 0 "[ . 1 . 2]" 1
822 1 45 TRP HB2 1 46 ASP H 1.800 . 4.350 2.705 2.555 2.938 . 0 0 "[ . 1 . 2]" 1
823 1 45 TRP HD1 1 48 THR MG 1.800 . 5.720 4.897 4.415 5.367 . 0 0 "[ . 1 . 2]" 1
824 1 45 TRP H 1 45 TRP HB3 1.800 . 4.040 3.672 3.648 3.700 . 0 0 "[ . 1 . 2]" 1
825 1 45 TRP H 1 45 TRP HB2 1.800 . 4.040 2.541 2.478 2.609 . 0 0 "[ . 1 . 2]" 1
826 1 45 TRP H 1 45 TRP HD1 1.800 . 4.000 2.898 2.724 3.039 . 0 0 "[ . 1 . 2]" 1
827 1 45 TRP H 1 45 TRP HE3 1.800 . 5.820 5.116 4.955 5.269 . 0 0 "[ . 1 . 2]" 1
828 1 45 TRP H 1 46 ASP H 1.800 . 3.920 2.860 2.693 3.001 . 0 0 "[ . 1 . 2]" 1
829 1 45 TRP HZ2 1 58 ILE MG 1.800 . 6.050 5.601 5.149 6.161 0.111 15 0 "[ . 1 . 2]" 1
830 1 46 ASP HA 1 48 THR H 1.800 . 4.740 4.018 3.856 4.177 . 0 0 "[ . 1 . 2]" 1
831 1 46 ASP QB 1 47 GLU H 1.800 . 3.900 2.793 2.257 3.455 . 0 0 "[ . 1 . 2]" 1
832 1 46 ASP H 1 46 ASP QB 1.800 . 3.160 2.424 2.211 2.593 . 0 0 "[ . 1 . 2]" 1
833 1 46 ASP H 1 47 GLU QB 1.800 . 5.810 4.706 4.509 5.122 . 0 0 "[ . 1 . 2]" 1
834 1 46 ASP H 1 47 GLU QG 1.800 . 5.080 4.105 3.837 4.496 . 0 0 "[ . 1 . 2]" 1
835 1 46 ASP H 1 47 GLU H 1.800 . 3.540 2.617 2.497 2.774 . 0 0 "[ . 1 . 2]" 1
836 1 46 ASP H 1 48 THR H 1.800 . 5.010 3.920 3.775 4.023 . 0 0 "[ . 1 . 2]" 1
837 1 47 GLU QB 1 48 THR H 1.800 . 4.030 3.257 2.971 3.953 . 0 0 "[ . 1 . 2]" 1
838 1 47 GLU QG 1 48 THR HG1 1.800 . 5.740 4.701 2.567 5.656 . 0 0 "[ . 1 . 2]" 1
839 1 47 GLU QG 1 48 THR H 1.800 . 4.550 4.176 3.054 4.467 . 0 0 "[ . 1 . 2]" 1
840 1 47 GLU H 1 47 GLU QB 1.800 . 3.360 2.489 2.351 2.800 . 0 0 "[ . 1 . 2]" 1
841 1 47 GLU H 1 47 GLU QG 1.800 . 3.560 2.221 1.991 2.529 . 0 0 "[ . 1 . 2]" 1
842 1 47 GLU H 1 48 THR HB 1.800 . 5.030 4.841 4.694 5.047 0.017 14 0 "[ . 1 . 2]" 1
843 1 47 GLU H 1 48 THR HG1 1.800 . 4.600 3.940 3.773 4.487 . 0 0 "[ . 1 . 2]" 1
844 1 47 GLU H 1 48 THR H 1.800 . 3.290 2.587 2.508 2.683 . 0 0 "[ . 1 . 2]" 1
845 1 48 THR HA 1 48 THR MG 1.800 . 3.580 2.424 2.363 2.487 . 0 0 "[ . 1 . 2]" 1
846 1 48 THR HA 1 49 PRO HD3 1.800 . 3.430 2.401 2.153 2.727 . 0 0 "[ . 1 . 2]" 1
847 1 48 THR HA 1 49 PRO HD2 1.800 . 3.430 2.261 2.051 2.500 . 0 0 "[ . 1 . 2]" 1
848 1 48 THR HA 1 49 PRO QG 1.800 . 4.790 3.988 3.900 4.024 . 0 0 "[ . 1 . 2]" 1
849 1 48 THR MG 1 49 PRO QD 1.800 . 3.590 2.685 2.353 2.940 . 0 0 "[ . 1 . 2]" 1
850 1 48 THR MG 1 49 PRO QG 1.800 . 4.330 3.959 3.686 4.188 . 0 0 "[ . 1 . 2]" 1
851 1 48 THR MG 1 50 VAL MG1 1.800 . 5.970 5.676 5.357 5.905 . 0 0 "[ . 1 . 2]" 1
852 1 48 THR MG 1 50 VAL MG2 1.800 . 4.860 4.212 3.790 4.616 . 0 0 "[ . 1 . 2]" 1
853 1 48 THR MG 1 50 VAL H 1.800 . 6.040 5.154 4.909 5.353 . 0 0 "[ . 1 . 2]" 1
854 1 48 THR H 1 48 THR HB 1.800 . 3.260 2.585 2.535 2.670 . 0 0 "[ . 1 . 2]" 1
855 1 48 THR H 1 48 THR HG1 1.800 . 3.370 2.475 2.206 2.970 . 0 0 "[ . 1 . 2]" 1
856 1 48 THR H 1 48 THR MG 1.800 . 4.280 3.858 3.828 3.901 . 0 0 "[ . 1 . 2]" 1
857 1 48 THR H 1 49 PRO QD 1.800 . 4.970 4.210 4.097 4.348 . 0 0 "[ . 1 . 2]" 1
858 1 49 PRO HA 1 50 VAL H 1.800 . 3.160 2.333 2.211 2.420 . 0 0 "[ . 1 . 2]" 1
859 1 49 PRO HB3 1 50 VAL H 1.800 . 4.060 3.652 3.478 3.894 . 0 0 "[ . 1 . 2]" 1
860 1 49 PRO HB2 1 50 VAL H 1.800 . 4.060 2.796 2.514 3.217 . 0 0 "[ . 1 . 2]" 1
861 1 49 PRO QG 1 50 VAL H 1.800 . 5.070 4.235 3.990 4.516 . 0 0 "[ . 1 . 2]" 1
862 1 50 VAL HA 1 50 VAL MG1 1.800 . 3.510 2.475 2.377 2.586 . 0 0 "[ . 1 . 2]" 1
863 1 50 VAL HA 1 50 VAL MG2 1.800 . 3.690 2.477 2.360 2.582 . 0 0 "[ . 1 . 2]" 1
864 1 50 VAL HA 1 51 THR HA 1.800 . 5.060 4.498 4.447 4.540 . 0 0 "[ . 1 . 2]" 1
865 1 50 VAL HA 1 51 THR MG 1.800 . 6.050 4.678 3.807 5.590 . 0 0 "[ . 1 . 2]" 1
866 1 50 VAL HA 1 51 THR H 1.800 . 3.090 2.236 2.167 2.324 . 0 0 "[ . 1 . 2]" 1
867 1 50 VAL HB 1 51 THR H 1.800 . 4.800 4.142 3.810 4.535 . 0 0 "[ . 1 . 2]" 1
868 1 50 VAL MG1 1 51 THR HA 1.800 . 5.610 3.767 3.411 4.100 . 0 0 "[ . 1 . 2]" 1
869 1 50 VAL MG1 1 51 THR HB 1.800 . 6.050 5.047 4.328 5.898 . 0 0 "[ . 1 . 2]" 1
870 1 50 VAL MG1 1 51 THR H 1.800 . 3.500 2.663 2.230 3.488 . 0 0 "[ . 1 . 2]" 1
871 1 50 VAL MG1 1 52 ALA H 1.800 . 5.570 4.695 4.392 5.196 . 0 0 "[ . 1 . 2]" 1
872 1 50 VAL MG1 1 54 ASP QB 1.800 . 4.420 3.565 2.337 4.509 0.089 10 0 "[ . 1 . 2]" 1
873 1 50 VAL MG2 1 51 THR H 1.800 . 4.550 4.109 4.009 4.336 . 0 0 "[ . 1 . 2]" 1
874 1 50 VAL H 1 50 VAL HB 1.800 . 3.490 2.604 2.467 2.727 . 0 0 "[ . 1 . 2]" 1
875 1 50 VAL H 1 50 VAL MG1 1.800 . 4.470 3.863 3.810 3.931 . 0 0 "[ . 1 . 2]" 1
876 1 50 VAL H 1 50 VAL MG2 1.800 . 3.740 2.638 2.159 3.009 . 0 0 "[ . 1 . 2]" 1
877 1 50 VAL H 1 51 THR H 1.800 . 5.480 4.403 4.045 4.585 . 0 0 "[ . 1 . 2]" 1
878 1 51 THR HA 1 51 THR MG 1.800 . 3.610 2.403 2.309 2.497 . 0 0 "[ . 1 . 2]" 1
879 1 51 THR HA 1 52 ALA MB 1.800 . 4.440 4.065 3.948 4.140 . 0 0 "[ . 1 . 2]" 1
880 1 51 THR HA 1 52 ALA H 1.800 . 2.950 2.293 2.154 2.433 . 0 0 "[ . 1 . 2]" 1
881 1 51 THR HA 1 54 ASP H 1.800 . 5.560 5.578 5.403 5.714 0.154 5 0 "[ . 1 . 2]" 1
882 1 51 THR HB 1 52 ALA MB 1.800 . 5.440 4.613 3.861 5.340 . 0 0 "[ . 1 . 2]" 1
883 1 51 THR HB 1 52 ALA H 1.800 . 4.460 3.256 2.345 4.082 . 0 0 "[ . 1 . 2]" 1
884 1 51 THR MG 1 52 ALA H 1.800 . 4.100 3.100 2.234 3.791 . 0 0 "[ . 1 . 2]" 1
885 1 51 THR MG 1 54 ASP H 1.800 . 5.910 5.275 4.096 6.048 0.138 8 0 "[ . 1 . 2]" 1
886 1 51 THR H 1 51 THR HB 1.800 . 4.140 3.296 2.610 3.840 . 0 0 "[ . 1 . 2]" 1
887 1 51 THR H 1 51 THR MG 1.800 . 4.410 3.438 2.561 3.987 . 0 0 "[ . 1 . 2]" 1
888 1 51 THR H 1 52 ALA H 1.800 . 5.120 4.445 4.351 4.535 . 0 0 "[ . 1 . 2]" 1
889 1 51 THR H 1 54 ASP QB 1.800 . 4.160 3.297 2.555 3.935 . 0 0 "[ . 1 . 2]" 1
890 1 51 THR H 1 54 ASP H 1.800 . 5.130 4.538 4.175 4.825 . 0 0 "[ . 1 . 2]" 1
891 1 52 ALA HA 1 53 GLY HA3 1.800 . 5.100 4.479 4.406 4.528 . 0 0 "[ . 1 . 2]" 1
892 1 52 ALA HA 1 53 GLY HA2 1.800 . 5.100 4.422 4.330 4.513 . 0 0 "[ . 1 . 2]" 1
893 1 52 ALA HA 1 53 GLY H 1.800 . 3.080 2.180 2.146 2.262 . 0 0 "[ . 1 . 2]" 1
894 1 52 ALA HA 1 54 ASP H 1.800 . 4.660 3.641 3.279 4.038 . 0 0 "[ . 1 . 2]" 1
895 1 52 ALA MB 1 53 GLY QA 1.800 . 4.660 3.774 3.616 3.893 . 0 0 "[ . 1 . 2]" 1
896 1 52 ALA MB 1 53 GLY H 1.800 . 3.880 3.148 2.790 3.381 . 0 0 "[ . 1 . 2]" 1
897 1 52 ALA MB 1 54 ASP H 1.800 . 5.080 4.649 4.355 4.949 . 0 0 "[ . 1 . 2]" 1
898 1 52 ALA H 1 52 ALA MB 1.800 . 2.990 2.229 2.180 2.262 . 0 0 "[ . 1 . 2]" 1
899 1 52 ALA H 1 53 GLY H 1.800 . 5.070 4.542 4.422 4.632 . 0 0 "[ . 1 . 2]" 1
900 1 53 GLY H 1 54 ASP QB 1.800 . 5.420 4.550 4.239 4.873 . 0 0 "[ . 1 . 2]" 1
901 1 53 GLY H 1 54 ASP H 1.800 . 3.660 2.544 2.356 2.783 . 0 0 "[ . 1 . 2]" 1
902 1 54 ASP HA 1 55 GLU H 1.800 . 2.970 2.310 2.127 2.754 . 0 0 "[ . 1 . 2]" 1
903 1 54 ASP QB 1 55 GLU H 1.800 . 3.600 2.757 2.006 3.481 . 0 0 "[ . 1 . 2]" 1
904 1 54 ASP QB 1 56 ILE MD 1.800 . 4.630 3.011 2.035 4.217 . 0 0 "[ . 1 . 2]" 1
905 1 54 ASP QB 1 56 ILE HG13 1.800 . 4.950 3.068 2.238 4.187 . 0 0 "[ . 1 . 2]" 1
906 1 54 ASP QB 1 56 ILE HG12 1.800 . 4.950 3.625 2.554 4.524 . 0 0 "[ . 1 . 2]" 1
907 1 54 ASP QB 1 56 ILE H 1.800 . 5.870 4.236 3.771 4.885 . 0 0 "[ . 1 . 2]" 1
908 1 54 ASP H 1 54 ASP QB 1.800 . 3.160 2.435 2.284 2.836 . 0 0 "[ . 1 . 2]" 1
909 1 54 ASP H 1 56 ILE MD 1.800 . 6.050 4.534 3.820 5.520 . 0 0 "[ . 1 . 2]" 1
910 1 54 ASP H 1 56 ILE QG 1.800 . 6.050 4.852 4.058 6.098 0.048 1 0 "[ . 1 . 2]" 1
911 1 55 GLU HA 1 56 ILE QG 1.800 . 5.750 4.093 3.621 5.199 . 0 0 "[ . 1 . 2]" 1
912 1 55 GLU HA 1 56 ILE H 1.800 . 3.330 2.221 2.121 2.319 . 0 0 "[ . 1 . 2]" 1
913 1 55 GLU QG 1 56 ILE H 1.800 . 4.990 4.175 3.173 4.799 . 0 0 "[ . 1 . 2]" 1
914 1 55 GLU H 1 55 GLU QB 1.800 . 3.470 2.474 2.301 2.673 . 0 0 "[ . 1 . 2]" 1
915 1 55 GLU H 1 55 GLU QG 1.800 . 4.460 3.464 2.438 4.190 . 0 0 "[ . 1 . 2]" 1
916 1 55 GLU H 1 56 ILE QG 1.800 . 6.050 4.225 3.781 5.381 . 0 0 "[ . 1 . 2]" 1
917 1 55 GLU H 1 56 ILE H 1.800 . 5.330 4.011 3.782 4.264 . 0 0 "[ . 1 . 2]" 1
918 1 56 ILE HA 1 56 ILE MD 1.800 . 5.060 3.778 3.013 3.956 . 0 0 "[ . 1 . 2]" 1
919 1 56 ILE HA 1 56 ILE HG13 1.800 . 4.330 2.994 2.477 3.234 . 0 0 "[ . 1 . 2]" 1
920 1 56 ILE HA 1 56 ILE HG12 1.800 . 4.330 2.776 2.390 3.744 . 0 0 "[ . 1 . 2]" 1
921 1 56 ILE HA 1 57 GLU QB 1.800 . 5.420 4.243 3.981 4.805 . 0 0 "[ . 1 . 2]" 1
922 1 56 ILE HA 1 57 GLU H 1.800 . 3.200 2.245 2.171 2.397 . 0 0 "[ . 1 . 2]" 1
923 1 56 ILE MD 1 57 GLU H 1.800 . 6.050 5.319 4.758 5.672 . 0 0 "[ . 1 . 2]" 1
924 1 56 ILE QG 1 57 GLU H 1.800 . 5.620 4.368 4.167 4.583 . 0 0 "[ . 1 . 2]" 1
925 1 56 ILE HG13 1 56 ILE MG 1.800 . 3.840 3.161 2.581 3.271 . 0 0 "[ . 1 . 2]" 1
926 1 56 ILE HG12 1 56 ILE MG 1.800 . 3.840 2.434 2.261 2.527 . 0 0 "[ . 1 . 2]" 1
927 1 56 ILE MG 1 57 GLU HA 1.800 . 5.190 3.959 3.363 4.299 . 0 0 "[ . 1 . 2]" 1
928 1 56 ILE MG 1 57 GLU H 1.800 . 3.600 3.202 2.211 3.559 . 0 0 "[ . 1 . 2]" 1
929 1 56 ILE MG 1 58 ILE H 1.800 . 6.050 4.064 3.441 4.837 . 0 0 "[ . 1 . 2]" 1
930 1 56 ILE H 1 56 ILE HB 1.800 . 3.790 2.490 2.405 2.601 . 0 0 "[ . 1 . 2]" 1
931 1 56 ILE H 1 56 ILE MD 1.800 . 5.180 3.507 2.012 4.038 . 0 0 "[ . 1 . 2]" 1
932 1 56 ILE H 1 56 ILE HG13 1.800 . 4.790 2.623 2.273 3.864 . 0 0 "[ . 1 . 2]" 1
933 1 56 ILE H 1 56 ILE HG12 1.800 . 4.790 3.730 3.529 4.244 . 0 0 "[ . 1 . 2]" 1
934 1 56 ILE H 1 56 ILE MG 1.800 . 4.830 3.813 3.774 3.858 . 0 0 "[ . 1 . 2]" 1
935 1 57 GLU HA 1 57 GLU QG 1.800 . 3.990 2.676 2.469 3.390 . 0 0 "[ . 1 . 2]" 1
936 1 57 GLU HA 1 58 ILE QG 1.800 . 5.870 3.860 3.545 4.106 . 0 0 "[ . 1 . 2]" 1
937 1 57 GLU HA 1 58 ILE H 1.800 . 3.360 2.199 2.086 2.249 . 0 0 "[ . 1 . 2]" 1
938 1 57 GLU QB 1 59 LEU MD1 1.800 . 5.240 4.242 2.460 5.322 0.082 20 0 "[ . 1 . 2]" 1
939 1 57 GLU QG 1 59 LEU MD1 1.800 . 4.300 4.020 2.481 4.426 0.126 7 0 "[ . 1 . 2]" 1
940 1 57 GLU HG3 1 58 ILE H 1.800 . 5.010 3.824 3.094 5.188 0.178 15 0 "[ . 1 . 2]" 1
941 1 57 GLU HG2 1 58 ILE H 1.800 . 5.010 4.007 2.757 5.207 0.197 13 0 "[ . 1 . 2]" 1
942 1 57 GLU H 1 57 GLU QG 1.800 . 4.770 3.781 2.077 4.198 . 0 0 "[ . 1 . 2]" 1
943 1 57 GLU H 1 58 ILE H 1.800 . 5.350 4.304 4.013 4.563 . 0 0 "[ . 1 . 2]" 1
944 1 58 ILE HA 1 58 ILE MD 1.800 . 4.400 3.439 2.081 3.924 . 0 0 "[ . 1 . 2]" 1
945 1 58 ILE HA 1 58 ILE MG 1.800 . 3.780 2.485 2.400 2.558 . 0 0 "[ . 1 . 2]" 1
946 1 58 ILE HA 1 59 LEU MD1 1.800 . 5.460 4.651 2.775 5.347 . 0 0 "[ . 1 . 2]" 1
947 1 58 ILE HA 1 59 LEU H 1.800 . 3.440 2.143 2.085 2.253 . 0 0 "[ . 1 . 2]" 1
948 1 58 ILE MD 1 59 LEU H 1.800 . 6.050 4.933 3.643 5.509 . 0 0 "[ . 1 . 2]" 1
949 1 58 ILE QG 1 59 LEU H 1.800 . 5.860 4.358 4.051 4.862 . 0 0 "[ . 1 . 2]" 1
950 1 58 ILE MD 1 58 ILE MG 1.800 . 3.400 2.051 1.973 2.103 . 0 0 "[ . 1 . 2]" 1
951 1 58 ILE QG 1 58 ILE MG 1.800 . 3.650 2.396 2.340 2.435 . 0 0 "[ . 1 . 2]" 1
952 1 58 ILE MG 1 59 LEU H 1.800 . 4.150 2.999 2.419 3.371 . 0 0 "[ . 1 . 2]" 1
953 1 58 ILE MG 1 61 PRO QD 1.800 . 5.940 5.032 4.554 5.795 . 0 0 "[ . 1 . 2]" 1
954 1 58 ILE H 1 58 ILE HB 1.800 . 3.880 2.528 2.428 2.655 . 0 0 "[ . 1 . 2]" 1
955 1 58 ILE H 1 58 ILE QG 1.800 . 4.030 2.461 2.260 2.903 . 0 0 "[ . 1 . 2]" 1
956 1 58 ILE H 1 58 ILE MG 1.800 . 4.910 3.836 3.788 3.897 . 0 0 "[ . 1 . 2]" 1
957 1 58 ILE H 1 59 LEU H 1.800 . 5.850 4.325 4.117 4.593 . 0 0 "[ . 1 . 2]" 1
958 1 59 LEU HA 1 59 LEU MD2 1.800 . 4.300 2.531 1.962 4.179 . 0 0 "[ . 1 . 2]" 1
959 1 59 LEU QB 1 59 LEU MD1 1.800 . 3.260 2.214 2.138 2.428 . 0 0 "[ . 1 . 2]" 1
960 1 59 LEU QB 1 59 LEU MD2 1.800 . 4.100 2.302 2.136 2.385 . 0 0 "[ . 1 . 2]" 1
961 1 59 LEU QB 1 60 THR H 1.800 . 3.870 2.904 2.156 3.536 . 0 0 "[ . 1 . 2]" 1
962 1 59 LEU MD1 1 61 PRO QD 1.800 . 6.050 4.432 2.738 5.583 . 0 0 "[ . 1 . 2]" 1
963 1 59 LEU MD2 1 60 THR H 1.800 . 4.190 3.509 3.058 4.293 0.103 8 0 "[ . 1 . 2]" 1
964 1 59 LEU MD2 1 61 PRO HA 1.800 . 4.800 4.644 3.219 5.045 0.245 2 0 "[ . 1 . 2]" 1
965 1 59 LEU MD2 1 61 PRO QB 1.800 . 5.420 4.998 3.006 5.551 0.131 9 0 "[ . 1 . 2]" 1
966 1 59 LEU MD2 1 61 PRO QD 1.800 . 6.050 4.488 1.983 5.346 . 0 0 "[ . 1 . 2]" 1
967 1 59 LEU MD2 1 61 PRO QG 1.800 . 6.050 5.084 3.061 6.264 0.214 12 0 "[ . 1 . 2]" 1
968 1 59 LEU HG 1 60 THR H 1.800 . 5.740 4.935 4.705 5.172 . 0 0 "[ . 1 . 2]" 1
969 1 59 LEU H 1 59 LEU QB 1.800 . 3.880 2.567 2.234 3.215 . 0 0 "[ . 1 . 2]" 1
970 1 59 LEU H 1 59 LEU MD2 1.800 . 4.760 3.702 2.808 4.231 . 0 0 "[ . 1 . 2]" 1
971 1 59 LEU H 1 59 LEU HG 1.800 . 4.580 2.989 2.276 4.207 . 0 0 "[ . 1 . 2]" 1
972 1 60 THR HA 1 60 THR MG 1.800 . 3.900 2.528 2.334 3.283 . 0 0 "[ . 1 . 2]" 1
973 1 60 THR HA 1 61 PRO HD3 1.800 . 3.850 2.501 2.007 2.939 . 0 0 "[ . 1 . 2]" 1
974 1 60 THR HA 1 61 PRO HD2 1.800 . 3.850 2.357 2.013 2.973 . 0 0 "[ . 1 . 2]" 1
975 1 60 THR HB 1 61 PRO HD3 1.800 . 5.500 4.862 4.319 5.172 . 0 0 "[ . 1 . 2]" 1
976 1 60 THR HB 1 61 PRO HD2 1.800 . 5.500 4.448 2.835 5.360 . 0 0 "[ . 1 . 2]" 1
977 1 60 THR MG 1 61 PRO HD3 1.800 . 5.010 4.382 3.799 5.009 . 0 0 "[ . 1 . 2]" 1
978 1 60 THR MG 1 61 PRO HD2 1.800 . 5.010 4.040 2.674 4.938 . 0 0 "[ . 1 . 2]" 1
979 1 60 THR H 1 60 THR MG 1.800 . 4.000 3.057 2.075 3.947 . 0 0 "[ . 1 . 2]" 1
980 1 62 ARG HA 1 62 ARG QD 1.800 . 4.600 3.389 2.071 4.324 . 0 0 "[ . 1 . 2]" 1
981 1 62 ARG HA 1 62 ARG QG 1.800 . 3.940 2.714 2.407 3.420 . 0 0 "[ . 1 . 2]" 1
982 1 62 ARG HA 1 63 GLN H 1.800 . 3.720 2.898 2.129 3.610 . 0 0 "[ . 1 . 2]" 1
983 1 62 ARG QB 1 62 ARG QD 1.800 . 3.560 2.479 2.162 2.925 . 0 0 "[ . 1 . 2]" 1
984 1 62 ARG QG 1 63 GLN H 1.800 . 4.950 3.923 2.286 4.717 . 0 0 "[ . 1 . 2]" 1
985 1 63 GLN H 1 63 GLN QB 1.800 . 3.870 2.846 2.231 3.462 . 0 0 "[ . 1 . 2]" 1
986 1 63 GLN H 1 63 GLN QG 1.800 . 4.480 3.222 2.024 4.403 . 0 0 "[ . 1 . 2]" 1
987 1 64 GLY QA 1 65 GLY H 1.800 . 3.230 2.499 2.128 2.948 . 0 0 "[ . 1 . 2]" 1
988 1 65 GLY QA 1 66 LEU QB 1.800 . 5.370 4.167 3.645 4.694 . 0 0 "[ . 1 . 2]" 1
989 1 65 GLY QA 1 66 LEU QD 1.800 . 5.980 4.135 2.597 5.166 . 0 0 "[ . 1 . 2]" 1
990 1 65 GLY QA 1 66 LEU H 1.800 . 3.220 2.355 2.097 2.896 . 0 0 "[ . 1 . 2]" 1
991 1 65 GLY QA 1 67 GLU H 1.800 . 5.020 4.163 3.059 5.051 0.031 1 0 "[ . 1 . 2]" 1
992 1 66 LEU HA 1 66 LEU QD 1.800 . 3.520 2.309 2.009 3.078 . 0 0 "[ . 1 . 2]" 1
993 1 66 LEU HA 1 66 LEU MD1 1.800 . 4.600 3.210 2.037 3.965 . 0 0 "[ . 1 . 2]" 1
994 1 66 LEU HA 1 66 LEU MD2 1.800 . 4.600 2.972 2.048 3.982 . 0 0 "[ . 1 . 2]" 1
995 1 66 LEU HA 1 67 GLU H 1.800 . 3.860 2.810 2.130 3.575 . 0 0 "[ . 1 . 2]" 1
996 1 66 LEU QD 1 67 GLU QB 1.800 . 5.930 4.854 3.321 5.802 . 0 0 "[ . 1 . 2]" 1
997 1 66 LEU QD 1 67 GLU H 1.800 . 4.760 3.765 2.343 4.574 . 0 0 "[ . 1 . 2]" 1
998 1 66 LEU HG 1 67 GLU H 1.800 . 6.050 4.705 3.849 6.044 . 0 0 "[ . 1 . 2]" 1
999 1 66 LEU H 1 66 LEU QB 1.800 . 3.110 2.566 2.240 3.317 0.207 17 0 "[ . 1 . 2]" 1
1000 1 66 LEU H 1 66 LEU QD 1.800 . 5.030 3.259 1.874 4.129 . 0 0 "[ . 1 . 2]" 1
1001 1 66 LEU H 1 66 LEU MD1 1.800 . 5.830 3.915 1.878 4.772 . 0 0 "[ . 1 . 2]" 1
1002 1 66 LEU H 1 66 LEU MD2 1.800 . 5.830 3.743 2.407 4.855 . 0 0 "[ . 1 . 2]" 1
1003 1 66 LEU H 1 66 LEU HG 1.800 . 4.760 3.681 2.079 4.818 0.058 12 0 "[ . 1 . 2]" 1
1004 1 66 LEU H 1 67 GLU H 1.800 . 4.050 3.226 1.723 4.270 0.220 15 0 "[ . 1 . 2]" 1
1005 1 67 GLU HA 1 67 GLU QG 1.800 . 3.960 2.833 2.405 3.595 . 0 0 "[ . 1 . 2]" 1
1006 1 67 GLU H 1 67 GLU QB 1.800 . 3.530 2.551 2.152 3.388 . 0 0 "[ . 1 . 2]" 1
1007 1 67 GLU H 1 67 GLU QG 1.800 . 4.200 3.138 1.934 4.240 0.040 5 0 "[ . 1 . 2]" 1
1008 1 67 GLU H 1 68 HIS H 1.800 . 5.320 3.767 2.094 4.659 . 0 0 "[ . 1 . 2]" 1
1009 1 68 HIS HA 1 69 HIS H 1.800 . 3.620 2.797 2.107 3.605 . 0 0 "[ . 1 . 2]" 1
1010 1 69 HIS H 1 69 HIS QB 1.800 . 3.870 2.572 2.270 3.335 . 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 50
_Distance_constraint_stats_list.Viol_count 36
_Distance_constraint_stats_list.Viol_total 14.829
_Distance_constraint_stats_list.Viol_max 0.059
_Distance_constraint_stats_list.Viol_rms 0.0049
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0007
_Distance_constraint_stats_list.Viol_average_violations_only 0.0206
_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 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 LEU 0.012 0.008 10 0 "[ . 1 . 2]"
1 3 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 THR 0.017 0.017 9 0 "[ . 1 . 2]"
1 5 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 SER 0.106 0.059 19 0 "[ . 1 . 2]"
1 17 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ALA 0.082 0.044 5 0 "[ . 1 . 2]"
1 19 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 LEU 0.106 0.059 19 0 "[ . 1 . 2]"
1 21 MET 0.050 0.024 8 0 "[ . 1 . 2]"
1 22 THR 0.082 0.044 5 0 "[ . 1 . 2]"
1 23 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 CYS 0.050 0.024 8 0 "[ . 1 . 2]"
1 32 ALA 0.053 0.048 12 0 "[ . 1 . 2]"
1 33 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ALA 0.011 0.011 16 0 "[ . 1 . 2]"
1 35 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ASN 0.048 0.048 12 0 "[ . 1 . 2]"
1 38 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ARG 0.303 0.045 15 0 "[ . 1 . 2]"
1 44 LYS 0.059 0.046 8 0 "[ . 1 . 2]"
1 45 TRP 0.303 0.045 15 0 "[ . 1 . 2]"
1 48 THR 0.059 0.046 8 0 "[ . 1 . 2]"
1 53 GLY 0.012 0.008 10 0 "[ . 1 . 2]"
1 55 GLU 0.048 0.048 12 0 "[ . 1 . 2]"
1 56 ILE 0.017 0.017 9 0 "[ . 1 . 2]"
1 57 GLU 0.011 0.011 16 0 "[ . 1 . 2]"
1 59 LEU 0.053 0.048 12 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 3 VAL H 1 10 ARG O 1.700 . 2.300 2.085 1.925 2.298 . 0 0 "[ . 1 . 2]" 2
2 1 3 VAL N 1 10 ARG O 2.700 2.700 3.300 3.014 2.787 3.177 . 0 0 "[ . 1 . 2]" 2
3 1 5 ILE H 1 8 GLU O 1.700 . 2.300 2.003 1.927 2.075 . 0 0 "[ . 1 . 2]" 2
4 1 5 ILE N 1 8 GLU O 2.700 2.700 3.300 2.820 2.734 2.932 . 0 0 "[ . 1 . 2]" 2
5 1 6 ASN H 1 56 ILE O 1.700 . 2.300 2.088 1.938 2.291 . 0 0 "[ . 1 . 2]" 2
6 1 6 ASN N 1 56 ILE O 2.700 2.700 3.300 2.932 2.779 3.161 . 0 0 "[ . 1 . 2]" 2
7 1 5 ILE O 1 8 GLU H 1.700 . 2.300 2.124 2.023 2.199 . 0 0 "[ . 1 . 2]" 2
8 1 5 ILE O 1 8 GLU N 2.700 2.700 3.300 3.024 2.895 3.135 . 0 0 "[ . 1 . 2]" 2
9 1 3 VAL O 1 10 ARG H 1.700 . 2.300 1.989 1.915 2.140 . 0 0 "[ . 1 . 2]" 2
10 1 3 VAL O 1 10 ARG N 2.700 2.700 3.300 2.903 2.802 3.012 . 0 0 "[ . 1 . 2]" 2
11 1 1 MET O 1 12 VAL H 1.700 . 2.300 2.025 1.951 2.101 . 0 0 "[ . 1 . 2]" 2
12 1 1 MET O 1 12 VAL N 2.700 2.700 3.300 2.972 2.897 3.079 . 0 0 "[ . 1 . 2]" 2
13 1 17 VAL H 1 48 THR O 1.700 . 2.300 2.114 1.973 2.262 . 0 0 "[ . 1 . 2]" 2
14 1 17 VAL N 1 48 THR O 2.700 2.700 3.300 3.070 2.937 3.220 . 0 0 "[ . 1 . 2]" 2
15 1 16 SER O 1 20 LEU H 1.700 . 2.300 2.149 2.044 2.359 0.059 19 0 "[ . 1 . 2]" 2
16 1 16 SER O 1 20 LEU N 2.700 2.700 3.300 2.982 2.760 3.257 . 0 0 "[ . 1 . 2]" 2
17 1 17 VAL O 1 21 MET H 1.700 . 2.300 2.031 1.918 2.170 . 0 0 "[ . 1 . 2]" 2
18 1 17 VAL O 1 21 MET N 2.700 2.700 3.300 2.981 2.837 3.132 . 0 0 "[ . 1 . 2]" 2
19 1 18 ALA O 1 22 THR H 1.700 . 2.300 2.168 2.022 2.344 0.044 5 0 "[ . 1 . 2]" 2
20 1 18 ALA O 1 22 THR N 2.700 2.700 3.300 3.040 2.879 3.219 . 0 0 "[ . 1 . 2]" 2
21 1 19 ALA O 1 23 GLU H 1.700 . 2.300 2.132 1.997 2.273 . 0 0 "[ . 1 . 2]" 2
22 1 19 ALA O 1 23 GLU N 2.700 2.700 3.300 2.988 2.827 3.158 . 0 0 "[ . 1 . 2]" 2
23 1 20 LEU O 1 24 LEU H 1.700 . 2.300 2.057 1.974 2.224 . 0 0 "[ . 1 . 2]" 2
24 1 20 LEU O 1 24 LEU N 2.700 2.700 3.300 2.936 2.824 3.095 . 0 0 "[ . 1 . 2]" 2
25 1 21 MET O 1 26 CYS H 1.700 . 2.300 1.971 1.839 2.127 . 0 0 "[ . 1 . 2]" 2
26 1 21 MET O 1 26 CYS N 2.700 2.700 3.300 2.777 2.676 2.898 0.024 8 0 "[ . 1 . 2]" 2
27 1 32 ALA H 1 59 LEU O 1.700 . 2.300 1.999 1.931 2.079 . 0 0 "[ . 1 . 2]" 2
28 1 32 ALA N 1 59 LEU O 2.700 2.700 3.300 2.897 2.742 2.998 . 0 0 "[ . 1 . 2]" 2
29 1 34 ALA H 1 57 GLU O 1.700 . 2.300 1.953 1.888 2.021 . 0 0 "[ . 1 . 2]" 2
30 1 34 ALA N 1 57 GLU O 2.700 2.700 3.300 2.790 2.734 2.850 . 0 0 "[ . 1 . 2]" 2
31 1 35 LEU H 1 38 ASP O 1.700 . 2.300 2.102 2.012 2.272 . 0 0 "[ . 1 . 2]" 2
32 1 35 LEU N 1 38 ASP O 2.700 2.700 3.300 2.854 2.761 2.940 . 0 0 "[ . 1 . 2]" 2
33 1 36 ASN H 1 55 GLU O 1.700 . 2.300 2.054 1.933 2.348 0.048 12 0 "[ . 1 . 2]" 2
34 1 36 ASN N 1 55 GLU O 2.700 2.700 3.300 2.898 2.770 3.174 . 0 0 "[ . 1 . 2]" 2
35 1 33 VAL O 1 40 VAL H 1.700 . 2.300 2.026 1.924 2.233 . 0 0 "[ . 1 . 2]" 2
36 1 33 VAL O 1 40 VAL N 2.700 2.700 3.300 2.938 2.844 3.093 . 0 0 "[ . 1 . 2]" 2
37 1 41 PRO O 1 44 LYS H 1.700 . 2.300 2.078 1.986 2.209 . 0 0 "[ . 1 . 2]" 2
38 1 41 PRO O 1 44 LYS N 2.700 2.700 3.300 2.957 2.873 3.044 . 0 0 "[ . 1 . 2]" 2
39 1 42 ARG O 1 45 TRP H 1.700 . 2.300 2.303 2.229 2.345 0.045 15 0 "[ . 1 . 2]" 2
40 1 42 ARG O 1 45 TRP N 2.700 2.700 3.300 3.179 3.086 3.278 . 0 0 "[ . 1 . 2]" 2
41 1 44 LYS O 1 48 THR H 1.700 . 2.300 2.210 2.072 2.346 0.046 8 0 "[ . 1 . 2]" 2
42 1 44 LYS O 1 48 THR N 2.700 2.700 3.300 2.807 2.700 2.920 0.000 7 0 "[ . 1 . 2]" 2
43 1 2 LEU O 1 53 GLY H 1.700 . 2.300 2.149 2.049 2.308 0.008 10 0 "[ . 1 . 2]" 2
44 1 2 LEU O 1 53 GLY N 2.700 2.700 3.300 2.921 2.789 3.159 . 0 0 "[ . 1 . 2]" 2
45 1 4 THR O 1 56 ILE H 1.700 . 2.300 2.019 1.945 2.138 . 0 0 "[ . 1 . 2]" 2
46 1 4 THR O 1 56 ILE N 2.700 2.700 3.300 2.800 2.683 2.886 0.017 9 0 "[ . 1 . 2]" 2
47 1 34 ALA O 1 57 GLU H 1.700 . 2.300 2.056 1.954 2.311 0.011 16 0 "[ . 1 . 2]" 2
48 1 34 ALA O 1 57 GLU N 2.700 2.700 3.300 2.943 2.889 3.028 . 0 0 "[ . 1 . 2]" 2
49 1 32 ALA O 1 59 LEU H 1.700 . 2.300 2.123 1.935 2.348 0.048 12 0 "[ . 1 . 2]" 2
50 1 32 ALA O 1 59 LEU N 2.700 2.700 3.300 2.920 2.720 3.117 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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