NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
375230 |
1exe   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1exe
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 357
_Distance_constraint_stats_list.Viol_count 900
_Distance_constraint_stats_list.Viol_total 1679.070
_Distance_constraint_stats_list.Viol_max 0.479
_Distance_constraint_stats_list.Viol_rms 0.0354
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0089
_Distance_constraint_stats_list.Viol_average_violations_only 0.0811
_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 0.121 0.098 6 0 "[ . 1 . 2 ]"
1 2 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 3 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 4 THR 1.693 0.084 14 0 "[ . 1 . 2 ]"
1 5 GLU 4.435 0.104 14 0 "[ . 1 . 2 ]"
1 6 LEU 2.742 0.104 14 0 "[ . 1 . 2 ]"
1 7 ILE 2.198 0.081 11 0 "[ . 1 . 2 ]"
1 8 LYS 1.252 0.073 1 0 "[ . 1 . 2 ]"
1 9 ALA 0.024 0.008 12 0 "[ . 1 . 2 ]"
1 10 ILE 0.024 0.008 12 0 "[ . 1 . 2 ]"
1 11 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 12 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 13 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 14 THR 0.185 0.052 7 0 "[ . 1 . 2 ]"
1 15 GLY 0.916 0.203 11 0 "[ . 1 . 2 ]"
1 16 LEU 4.582 0.203 11 0 "[ . 1 . 2 ]"
1 17 THR 2.665 0.197 7 0 "[ . 1 . 2 ]"
1 18 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 19 VAL 4.720 0.299 2 0 "[ . 1 . 2 ]"
1 20 SER 4.720 0.299 2 0 "[ . 1 . 2 ]"
1 21 VAL 3.486 0.176 20 0 "[ . 1 . 2 ]"
1 22 SER 0.876 0.107 21 0 "[ . 1 . 2 ]"
1 23 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 24 MET 0.468 0.087 1 0 "[ . 1 . 2 ]"
1 25 LEU 0.468 0.087 1 0 "[ . 1 . 2 ]"
1 26 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 27 SER 0.613 0.042 9 0 "[ . 1 . 2 ]"
1 28 PHE 1.088 0.107 20 0 "[ . 1 . 2 ]"
1 29 GLU 0.673 0.107 20 0 "[ . 1 . 2 ]"
1 30 LYS 0.199 0.026 12 0 "[ . 1 . 2 ]"
1 31 ILE 9.775 0.295 9 0 "[ . 1 . 2 ]"
1 32 ILE 4.417 0.295 9 0 "[ . 1 . 2 ]"
1 33 THR 1.312 0.094 17 0 "[ . 1 . 2 ]"
1 34 GLU 1.310 0.094 17 0 "[ . 1 . 2 ]"
1 35 THR 0.019 0.019 15 0 "[ . 1 . 2 ]"
1 36 VAL 0.410 0.311 20 0 "[ . 1 . 2 ]"
1 37 ALA 0.410 0.311 20 0 "[ . 1 . 2 ]"
1 38 LYS 1.829 0.208 7 0 "[ . 1 . 2 ]"
1 39 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 40 ASP 1.829 0.208 7 0 "[ . 1 . 2 ]"
1 41 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 42 VAL 0.318 0.096 20 0 "[ . 1 . 2 ]"
1 43 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 44 LEU 0.953 0.158 8 0 "[ . 1 . 2 ]"
1 45 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 47 PHE 0.989 0.121 17 0 "[ . 1 . 2 ]"
1 48 LEU 2.153 0.351 7 0 "[ . 1 . 2 ]"
1 49 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 50 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 51 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 52 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 53 VAL 3.831 0.255 6 0 "[ . 1 . 2 ]"
1 54 ALA 3.911 0.255 6 0 "[ . 1 . 2 ]"
1 55 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 56 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 57 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 58 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 61 PHE 1.041 0.409 22 0 "[ . 1 . 2 ]"
1 62 ASN 1.041 0.409 22 0 "[ . 1 . 2 ]"
1 63 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 64 GLN 2.382 0.321 22 0 "[ . 1 . 2 ]"
1 65 THR 2.690 0.321 22 0 "[ . 1 . 2 ]"
1 66 GLN 0.610 0.095 21 0 "[ . 1 . 2 ]"
1 67 GLU 0.667 0.326 23 0 "[ . 1 . 2 ]"
1 68 ALA 0.365 0.326 23 0 "[ . 1 . 2 ]"
1 69 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 70 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 71 ILE 5.682 0.352 22 0 "[ . 1 . 2 ]"
1 72 ALA 3.623 0.419 18 0 "[ . 1 . 2 ]"
1 73 PRO 1.338 0.419 18 0 "[ . 1 . 2 ]"
1 74 SER 0.532 0.284 9 0 "[ . 1 . 2 ]"
1 75 VAL 1.600 0.247 18 0 "[ . 1 . 2 ]"
1 76 GLY 0.421 0.199 19 0 "[ . 1 . 2 ]"
1 77 VAL 0.489 0.199 19 0 "[ . 1 . 2 ]"
1 78 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 79 VAL 1.351 0.132 15 0 "[ . 1 . 2 ]"
1 80 LYS 1.351 0.132 15 0 "[ . 1 . 2 ]"
1 81 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 82 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 83 GLU 0.122 0.040 15 0 "[ . 1 . 2 ]"
1 84 SER 2.745 0.479 9 0 "[ . 1 . 2 ]"
1 85 LEU 2.623 0.479 9 0 "[ . 1 . 2 ]"
1 86 LYS 0.289 0.046 12 0 "[ . 1 . 2 ]"
1 87 LYS 0.970 0.046 12 0 "[ . 1 . 2 ]"
1 88 ALA 1.122 0.044 19 0 "[ . 1 . 2 ]"
1 89 ALA 4.481 0.308 11 0 "[ . 1 . 2 ]"
1 90 GLU 1.181 0.079 20 0 "[ . 1 . 2 ]"
1 91 GLY 0.587 0.107 3 0 "[ . 1 . 2 ]"
1 92 LEU 2.291 0.196 6 0 "[ . 1 . 2 ]"
1 93 LYS 1.849 0.196 6 0 "[ . 1 . 2 ]"
1 94 TYR 2.376 0.203 9 0 "[ . 1 . 2 ]"
1 95 GLU 3.572 0.186 7 0 "[ . 1 . 2 ]"
1 96 ASP 2.052 0.186 7 0 "[ . 1 . 2 ]"
1 97 PHE 0.422 0.034 12 0 "[ . 1 . 2 ]"
1 98 ALA 0.899 0.073 17 0 "[ . 1 . 2 ]"
1 99 LYS 0.729 0.073 17 0 "[ . 1 . 2 ]"
2 2 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 3 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 6 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 8 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 10 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 14 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 16 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 17 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 19 VAL 0.101 0.052 7 0 "[ . 1 . 2 ]"
2 24 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 28 PHE 0.953 0.158 8 0 "[ . 1 . 2 ]"
2 31 ILE 0.121 0.098 6 0 "[ . 1 . 2 ]"
2 32 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 35 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 36 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 37 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 40 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 42 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 44 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 47 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 48 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 52 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 54 ALA 0.425 0.203 9 0 "[ . 1 . 2 ]"
2 55 ARG 0.003 0.003 19 0 "[ . 1 . 2 ]"
2 56 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 73 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 74 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 75 VAL 3.082 0.308 11 0 "[ . 1 . 2 ]"
2 77 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 79 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 83 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 85 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 88 ALA 0.020 0.016 17 0 "[ . 1 . 2 ]"
2 89 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 92 LEU 1.171 0.233 17 0 "[ . 1 . 2 ]"
2 94 TYR 0.154 0.096 19 0 "[ . 1 . 2 ]"
2 97 PHE 0.023 0.015 7 0 "[ . 1 . 2 ]"
2 98 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 99 LYS 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 ME 2 31 ILE MD . . 7.060 2.245 1.702 3.052 0.098 6 0 "[ . 1 . 2 ]" 1
2 1 1 MET ME 2 35 THR HA . . 6.030 4.922 4.450 5.032 . 0 0 "[ . 1 . 2 ]" 1
3 1 1 MET QB 2 40 ASP QB . . 7.200 3.744 3.007 5.146 . 0 0 "[ . 1 . 2 ]" 1
4 1 1 MET ME 2 42 VAL QG . . 7.340 2.337 1.818 3.101 . 0 0 "[ . 1 . 2 ]" 1
5 1 1 MET ME 2 42 VAL HB . . 6.200 4.298 2.841 5.053 . 0 0 "[ . 1 . 2 ]" 1
6 1 1 MET ME 2 42 VAL HA . . 6.030 4.149 3.569 4.788 . 0 0 "[ . 1 . 2 ]" 1
7 1 1 MET QG 2 42 VAL HA . . 5.880 4.191 1.802 4.910 . 0 0 "[ . 1 . 2 ]" 1
8 1 1 MET QG 2 42 VAL QG . . 8.340 3.471 1.870 4.424 . 0 0 "[ . 1 . 2 ]" 1
9 1 3 LYS HA 2 44 LEU QD . . 6.310 3.589 2.112 4.186 . 0 0 "[ . 1 . 2 ]" 1
10 1 3 LYS QE 2 44 LEU HA . . 6.880 5.336 4.294 5.825 . 0 0 "[ . 1 . 2 ]" 1
11 1 3 LYS QE 2 44 LEU QB . . 6.910 4.831 3.051 5.287 . 0 0 "[ . 1 . 2 ]" 1
12 1 6 LEU QD 2 32 ILE MD . . 6.140 2.137 1.821 2.657 . 0 0 "[ . 1 . 2 ]" 1
13 1 6 LEU QD 2 32 ILE HA . . 5.110 3.356 2.887 3.641 . 0 0 "[ . 1 . 2 ]" 1
14 1 14 THR HA 2 19 VAL QG . . 6.400 4.050 3.217 4.358 . 0 0 "[ . 1 . 2 ]" 1
15 1 14 THR HB 2 19 VAL QG . . 5.810 2.554 1.748 2.908 0.052 7 0 "[ . 1 . 2 ]" 1
16 1 14 THR MG 2 19 VAL HA . . 6.030 4.628 4.098 4.929 . 0 0 "[ . 1 . 2 ]" 1
17 1 16 LEU QD 2 24 MET HA . . 8.400 4.651 4.130 5.188 . 0 0 "[ . 1 . 2 ]" 1
18 1 16 LEU QD 2 24 MET ME . . 8.400 5.268 5.141 5.444 . 0 0 "[ . 1 . 2 ]" 1
19 1 18 GLN HA 2 16 LEU QD . . 7.810 5.796 5.569 5.953 . 0 0 "[ . 1 . 2 ]" 1
20 1 19 VAL QG 2 10 ILE H . . 8.400 6.397 6.301 6.497 . 0 0 "[ . 1 . 2 ]" 1
21 1 19 VAL MG1 2 17 THR HB . . 6.400 5.477 5.402 5.520 . 0 0 "[ . 1 . 2 ]" 1
22 1 19 VAL MG2 2 17 THR HB . . 6.400 4.251 3.705 4.565 . 0 0 "[ . 1 . 2 ]" 1
23 1 21 VAL HA 2 14 THR MG . . 7.200 5.084 4.636 5.851 . 0 0 "[ . 1 . 2 ]" 1
24 1 31 ILE MD 2 8 LYS QE . . 8.600 6.216 6.052 6.450 . 0 0 "[ . 1 . 2 ]" 1
25 1 32 ILE HA 2 6 LEU HA . . 8.000 6.757 6.423 7.225 . 0 0 "[ . 1 . 2 ]" 1
26 1 32 ILE MD 2 44 LEU QD . . 6.140 3.180 2.602 3.530 . 0 0 "[ . 1 . 2 ]" 1
27 1 32 ILE HA 2 47 PHE QE . . 7.630 5.013 3.812 5.413 . 0 0 "[ . 1 . 2 ]" 1
28 1 32 ILE HA 2 47 PHE HZ . . 6.000 5.188 4.749 5.530 . 0 0 "[ . 1 . 2 ]" 1
29 1 33 THR MG 2 47 PHE QD . . 7.160 4.274 3.514 4.782 . 0 0 "[ . 1 . 2 ]" 1
30 1 33 THR MG 2 47 PHE QE . . 6.660 4.935 4.347 5.348 . 0 0 "[ . 1 . 2 ]" 1
31 1 32 ILE MD 2 48 LEU QD . . 9.340 3.581 2.855 4.734 . 0 0 "[ . 1 . 2 ]" 1
32 1 33 THR MG 2 88 ALA MB . . 5.900 1.907 1.784 2.269 0.016 17 0 "[ . 1 . 2 ]" 1
33 1 33 THR MG 2 88 ALA H . . 4.530 3.716 3.504 3.856 . 0 0 "[ . 1 . 2 ]" 1
34 1 37 ALA MB 2 94 TYR QD . . 9.400 7.089 6.256 7.492 . 0 0 "[ . 1 . 2 ]" 1
35 1 39 GLY QA 2 92 LEU H . . 7.000 6.405 6.253 6.661 . 0 0 "[ . 1 . 2 ]" 1
36 1 39 GLY QA 2 92 LEU QD . . 8.110 3.271 2.610 4.951 . 0 0 "[ . 1 . 2 ]" 1
37 1 39 GLY H 2 92 LEU QD . . 6.310 3.744 3.039 4.150 . 0 0 "[ . 1 . 2 ]" 1
38 1 43 GLN QB 2 2 ASN HA . . 4.880 3.618 2.456 4.404 . 0 0 "[ . 1 . 2 ]" 1
39 1 43 GLN QB 2 3 LYS H . . 5.880 5.000 4.341 5.294 . 0 0 "[ . 1 . 2 ]" 1
40 1 44 LEU QD 2 2 ASN HA . . 7.310 3.864 3.116 4.497 . 0 0 "[ . 1 . 2 ]" 1
41 1 44 LEU QD 2 28 PHE QE . . 7.940 1.779 1.642 1.966 0.158 8 0 "[ . 1 . 2 ]" 1
42 1 44 LEU QD 2 28 PHE QD . . 7.240 3.263 2.664 3.605 . 0 0 "[ . 1 . 2 ]" 1
43 1 44 LEU QD 2 32 ILE HB . . 5.810 4.163 3.918 4.438 . 0 0 "[ . 1 . 2 ]" 1
44 1 45 THR MG 2 28 PHE QD . . 7.160 4.361 3.525 4.967 . 0 0 "[ . 1 . 2 ]" 1
45 1 47 PHE QE 2 32 ILE HB . . 5.630 3.175 1.801 3.480 . 0 0 "[ . 1 . 2 ]" 1
46 1 47 PHE QD 2 32 ILE HB . . 5.630 4.594 4.064 4.824 . 0 0 "[ . 1 . 2 ]" 1
47 1 47 PHE HZ 2 32 ILE HB . . 4.000 2.657 2.029 3.150 . 0 0 "[ . 1 . 2 ]" 1
48 1 47 PHE QD 2 32 ILE MD . . 8.160 5.240 4.953 5.814 . 0 0 "[ . 1 . 2 ]" 1
49 1 47 PHE QE 2 32 ILE MD . . 5.960 3.460 3.203 4.117 . 0 0 "[ . 1 . 2 ]" 1
50 1 47 PHE HZ 2 32 ILE MD . . 4.530 3.053 2.571 3.714 . 0 0 "[ . 1 . 2 ]" 1
51 1 48 LEU HG 2 28 PHE QD . . 7.900 7.355 6.717 7.609 . 0 0 "[ . 1 . 2 ]" 1
52 1 48 LEU HG 2 28 PHE QE . . 7.400 5.562 5.004 6.041 . 0 0 "[ . 1 . 2 ]" 1
53 1 52 PRO QG 2 92 LEU H . . 8.000 6.904 5.950 7.326 . 0 0 "[ . 1 . 2 ]" 1
54 1 54 ALA MB 2 94 TYR HA . . 7.030 3.875 2.529 4.394 . 0 0 "[ . 1 . 2 ]" 1
55 1 54 ALA MB 2 94 TYR QE . . 5.960 3.358 2.095 4.734 . 0 0 "[ . 1 . 2 ]" 1
56 1 54 ALA MB 2 94 TYR QD . . 5.960 2.956 1.743 4.776 0.057 3 0 "[ . 1 . 2 ]" 1
57 1 54 ALA MB 2 97 PHE QE . . 7.160 4.432 2.372 5.352 . 0 0 "[ . 1 . 2 ]" 1
58 1 54 ALA MB 2 97 PHE QD . . 6.660 2.681 1.911 3.647 . 0 0 "[ . 1 . 2 ]" 1
59 1 54 ALA MB 2 97 PHE HA . . 6.030 4.022 3.485 5.170 . 0 0 "[ . 1 . 2 ]" 1
60 1 54 ALA MB 2 97 PHE QB . . 5.910 2.157 1.785 4.285 0.015 7 0 "[ . 1 . 2 ]" 1
61 1 54 ALA MB 2 98 ALA HA . . 4.530 2.177 1.853 3.431 . 0 0 "[ . 1 . 2 ]" 1
62 1 54 ALA MB 2 98 ALA MB . . 5.560 2.667 1.899 3.648 . 0 0 "[ . 1 . 2 ]" 1
63 1 54 ALA MB 2 98 ALA H . . 5.030 2.999 2.344 4.073 . 0 0 "[ . 1 . 2 ]" 1
64 1 54 ALA MB 2 99 LYS H . . 6.530 4.621 4.214 5.655 . 0 0 "[ . 1 . 2 ]" 1
65 1 75 VAL QG 2 92 LEU QD . . 9.620 2.289 1.567 5.287 0.233 17 0 "[ . 1 . 2 ]" 1
66 1 75 VAL QG 2 94 TYR QD . . 7.940 2.517 1.704 3.611 0.096 19 0 "[ . 1 . 2 ]" 1
67 1 75 VAL QG 2 94 TYR QE . . 8.440 3.870 2.074 5.089 . 0 0 "[ . 1 . 2 ]" 1
68 1 75 VAL QG 2 94 TYR QB . . 8.190 2.677 1.894 3.704 . 0 0 "[ . 1 . 2 ]" 1
69 1 75 VAL QG 2 97 PHE QB . . 8.690 3.075 1.907 4.748 . 0 0 "[ . 1 . 2 ]" 1
70 1 75 VAL QG 2 97 PHE QE . . 7.240 4.153 3.062 4.781 . 0 0 "[ . 1 . 2 ]" 1
71 1 75 VAL QG 2 97 PHE QD . . 7.240 3.210 2.550 3.804 . 0 0 "[ . 1 . 2 ]" 1
72 1 76 GLY QA 2 89 ALA MB . . 7.200 4.700 3.290 5.484 . 0 0 "[ . 1 . 2 ]" 1
73 1 77 VAL QG 2 83 GLU QB . . 8.190 5.290 4.893 5.593 . 0 0 "[ . 1 . 2 ]" 1
74 1 77 VAL QG 2 85 LEU H . . 8.310 3.581 2.414 4.697 . 0 0 "[ . 1 . 2 ]" 1
75 1 82 GLY H 2 79 VAL QG . . 8.400 5.380 4.406 6.213 . 0 0 "[ . 1 . 2 ]" 1
76 1 89 ALA MB 2 52 PRO HA . . 6.530 4.792 4.024 5.283 . 0 0 "[ . 1 . 2 ]" 1
77 1 89 ALA MB 2 75 VAL QG . . 6.840 1.675 1.492 1.889 0.308 11 0 "[ . 1 . 2 ]" 1
78 1 89 ALA MB 2 77 VAL HA . . 6.030 4.863 4.169 5.290 . 0 0 "[ . 1 . 2 ]" 1
79 1 89 ALA MB 2 75 VAL HB . . 6.030 2.388 1.802 3.854 . 0 0 "[ . 1 . 2 ]" 1
80 1 89 ALA MB 2 37 ALA HA . . 7.030 3.387 1.920 4.924 . 0 0 "[ . 1 . 2 ]" 1
81 1 89 ALA MB 2 36 VAL HB . . 6.530 5.028 3.646 5.394 . 0 0 "[ . 1 . 2 ]" 1
82 1 92 LEU HG 2 75 VAL QG . . 7.810 3.798 2.095 5.707 . 0 0 "[ . 1 . 2 ]" 1
83 1 94 TYR QE 2 56 GLN QE . . 7.010 5.002 3.520 5.807 . 0 0 "[ . 1 . 2 ]" 1
84 1 94 TYR HA 2 75 VAL QG . . 8.310 2.932 1.731 4.018 0.069 7 0 "[ . 1 . 2 ]" 1
85 1 94 TYR QD 2 54 ALA HA . . 6.400 3.061 1.886 5.125 . 0 0 "[ . 1 . 2 ]" 1
86 1 94 TYR QE 2 54 ALA HA . . 5.630 2.853 1.597 4.273 0.203 9 0 "[ . 1 . 2 ]" 1
87 1 94 TYR QD 2 55 ARG H . . 5.630 4.021 2.346 5.574 . 0 0 "[ . 1 . 2 ]" 1
88 1 94 TYR QE 2 55 ARG H . . 5.630 2.580 1.797 4.354 0.003 19 0 "[ . 1 . 2 ]" 1
89 1 94 TYR QE 2 56 GLN QG . . 7.010 4.182 2.430 5.561 . 0 0 "[ . 1 . 2 ]" 1
90 1 94 TYR QE 2 73 PRO HA . . 7.130 3.709 1.904 6.680 . 0 0 "[ . 1 . 2 ]" 1
91 1 94 TYR QD 2 73 PRO HA . . 7.130 5.458 3.426 6.582 . 0 0 "[ . 1 . 2 ]" 1
92 1 94 TYR QE 2 74 SER H . . 5.630 2.986 1.982 4.674 . 0 0 "[ . 1 . 2 ]" 1
93 1 97 PHE QE 2 52 PRO HA . . 8.400 6.419 4.865 7.623 . 0 0 "[ . 1 . 2 ]" 1
94 1 4 THR H 1 4 THR HB . . 2.800 2.389 2.211 2.553 . 0 0 "[ . 1 . 2 ]" 1
95 1 4 THR H 1 4 THR MG . . 4.500 3.739 3.598 3.829 . 0 0 "[ . 1 . 2 ]" 1
96 1 4 THR HA 1 4 THR MG . . 3.480 2.398 2.267 2.589 . 0 0 "[ . 1 . 2 ]" 1
97 1 5 GLU H 1 5 GLU QG . . 4.880 2.887 1.940 3.940 . 0 0 "[ . 1 . 2 ]" 1
98 1 7 ILE H 1 7 ILE HB . . 3.500 3.037 1.968 3.581 0.081 11 0 "[ . 1 . 2 ]" 1
99 1 9 ALA H 1 9 ALA MB . . 3.490 2.051 1.995 2.116 . 0 0 "[ . 1 . 2 ]" 1
100 1 11 ALA H 1 11 ALA MB . . 3.490 2.020 1.937 2.142 . 0 0 "[ . 1 . 2 ]" 1
101 1 12 GLN H 1 12 GLN QB . . 3.490 2.440 2.147 2.714 . 0 0 "[ . 1 . 2 ]" 1
102 1 12 GLN H 1 12 GLN QG . . 4.370 2.806 2.033 3.907 . 0 0 "[ . 1 . 2 ]" 1
103 1 13 ASP H 1 13 ASP QB . . 3.420 2.216 2.112 2.304 . 0 0 "[ . 1 . 2 ]" 1
104 1 14 THR H 1 14 THR HB . . 3.500 3.080 2.943 3.512 0.012 1 0 "[ . 1 . 2 ]" 1
105 1 14 THR H 1 14 THR MG . . 4.570 3.391 2.488 3.644 . 0 0 "[ . 1 . 2 ]" 1
106 1 16 LEU H 1 16 LEU MD1 . . 4.530 1.793 1.612 1.971 0.188 2 0 "[ . 1 . 2 ]" 1
107 1 16 LEU HA 1 16 LEU MD1 . . 4.480 3.451 3.239 3.649 . 0 0 "[ . 1 . 2 ]" 1
108 1 17 THR H 1 17 THR MG . . 3.770 2.758 2.490 3.075 . 0 0 "[ . 1 . 2 ]" 1
109 1 17 THR HA 1 17 THR MG . . 3.480 3.086 3.020 3.131 . 0 0 "[ . 1 . 2 ]" 1
110 1 20 SER H 1 20 SER QB . . 3.420 2.467 2.339 2.856 . 0 0 "[ . 1 . 2 ]" 1
111 1 21 VAL H 1 21 VAL HB . . 3.500 3.613 3.578 3.676 0.176 20 0 "[ . 1 . 2 ]" 1
112 1 22 SER H 1 22 SER QB . . 3.420 2.268 1.992 2.776 . 0 0 "[ . 1 . 2 ]" 1
113 1 26 ALA H 1 26 ALA MB . . 3.490 2.131 1.945 2.185 . 0 0 "[ . 1 . 2 ]" 1
114 1 28 PHE HA 1 28 PHE QD . . 3.780 3.193 3.001 3.367 . 0 0 "[ . 1 . 2 ]" 1
115 1 31 ILE H 1 31 ILE HB . . 3.500 3.602 3.564 3.668 0.168 9 0 "[ . 1 . 2 ]" 1
116 1 31 ILE H 1 31 ILE QG . . 4.370 1.678 1.540 1.896 0.260 21 0 "[ . 1 . 2 ]" 1
117 1 31 ILE H 1 31 ILE MD . . 5.030 3.419 3.143 3.636 . 0 0 "[ . 1 . 2 ]" 1
118 1 31 ILE HA 1 31 ILE MD . . 4.480 3.793 3.494 3.939 . 0 0 "[ . 1 . 2 ]" 1
119 1 31 ILE HB 1 32 ILE H . . 3.500 3.692 3.591 3.795 0.295 9 0 "[ . 1 . 2 ]" 1
120 1 32 ILE H 1 32 ILE QG . . 4.370 2.284 1.996 2.454 . 0 0 "[ . 1 . 2 ]" 1
121 1 32 ILE H 1 32 ILE MD . . 4.530 3.869 3.568 3.952 . 0 0 "[ . 1 . 2 ]" 1
122 1 32 ILE HA 1 32 ILE MD . . 4.480 2.558 2.057 2.794 . 0 0 "[ . 1 . 2 ]" 1
123 1 33 THR H 1 33 THR MG . . 3.770 3.150 2.425 3.539 . 0 0 "[ . 1 . 2 ]" 1
124 1 33 THR H 1 33 THR HB . . 3.500 2.094 1.919 3.496 . 0 0 "[ . 1 . 2 ]" 1
125 1 33 THR HA 1 33 THR MG . . 3.500 2.833 2.138 3.070 . 0 0 "[ . 1 . 2 ]" 1
126 1 34 GLU H 1 34 GLU QG . . 4.370 2.450 2.092 3.038 . 0 0 "[ . 1 . 2 ]" 1
127 1 36 VAL H 1 36 VAL HB . . 4.000 2.279 1.984 3.528 . 0 0 "[ . 1 . 2 ]" 1
128 1 37 ALA H 1 37 ALA MB . . 3.490 2.132 1.997 2.239 . 0 0 "[ . 1 . 2 ]" 1
129 1 38 LYS H 1 38 LYS QG . . 4.870 3.866 2.714 4.160 . 0 0 "[ . 1 . 2 ]" 1
130 1 42 VAL H 1 42 VAL HB . . 3.500 2.664 2.049 3.596 0.096 20 0 "[ . 1 . 2 ]" 1
131 1 48 LEU HA 1 48 LEU HG . . 3.500 3.022 2.624 3.480 . 0 0 "[ . 1 . 2 ]" 1
132 1 48 LEU H 1 48 LEU HG . . 4.000 3.884 3.370 4.351 0.351 7 0 "[ . 1 . 2 ]" 1
133 1 50 ILE H 1 50 ILE HB . . 4.000 2.663 2.061 3.694 . 0 0 "[ . 1 . 2 ]" 1
134 1 50 ILE H 1 50 ILE MD . . 5.030 3.316 1.934 4.177 . 0 0 "[ . 1 . 2 ]" 1
135 1 53 VAL H 1 53 VAL HB . . 4.000 3.746 2.744 3.895 . 0 0 "[ . 1 . 2 ]" 1
136 1 54 ALA H 1 54 ALA MB . . 3.490 2.204 1.935 2.864 . 0 0 "[ . 1 . 2 ]" 1
137 1 56 GLN H 1 56 GLN QG . . 4.370 2.671 1.905 3.834 . 0 0 "[ . 1 . 2 ]" 1
138 1 64 GLN H 1 64 GLN QB . . 3.420 2.499 1.974 3.053 . 0 0 "[ . 1 . 2 ]" 1
139 1 64 GLN H 1 64 GLN QG . . 4.870 3.800 2.711 4.427 . 0 0 "[ . 1 . 2 ]" 1
140 1 65 THR H 1 65 THR MG . . 4.570 2.771 1.923 3.901 . 0 0 "[ . 1 . 2 ]" 1
141 1 66 GLN H 1 66 GLN QG . . 4.870 3.211 2.362 4.293 . 0 0 "[ . 1 . 2 ]" 1
142 1 67 GLU H 1 67 GLU QG . . 4.370 3.480 1.973 4.220 . 0 0 "[ . 1 . 2 ]" 1
143 1 68 ALA H 1 68 ALA MB . . 3.490 2.252 1.905 3.031 . 0 0 "[ . 1 . 2 ]" 1
144 1 71 ILE H 1 71 ILE HB . . 3.420 3.422 2.400 3.772 0.352 22 0 "[ . 1 . 2 ]" 1
145 1 71 ILE H 1 71 ILE MD . . 5.030 3.427 1.810 4.415 . 0 0 "[ . 1 . 2 ]" 1
146 1 72 ALA H 1 72 ALA MB . . 3.490 2.521 1.832 3.060 . 0 0 "[ . 1 . 2 ]" 1
147 1 75 VAL H 1 75 VAL HB . . 3.500 2.256 1.953 3.548 0.048 18 0 "[ . 1 . 2 ]" 1
148 1 77 VAL H 1 77 VAL HB . . 2.800 2.501 2.009 2.874 0.074 8 0 "[ . 1 . 2 ]" 1
149 1 84 SER H 1 84 SER QB . . 3.420 2.219 1.949 3.075 . 0 0 "[ . 1 . 2 ]" 1
150 1 88 ALA H 1 88 ALA MB . . 3.490 2.124 1.987 2.186 . 0 0 "[ . 1 . 2 ]" 1
151 1 89 ALA H 1 89 ALA MB . . 3.490 2.074 1.938 2.204 . 0 0 "[ . 1 . 2 ]" 1
152 1 92 LEU H 1 92 LEU QD . . 5.110 2.990 2.410 3.425 . 0 0 "[ . 1 . 2 ]" 1
153 1 96 ASP H 1 96 ASP QB . . 3.420 2.327 1.947 3.248 . 0 0 "[ . 1 . 2 ]" 1
154 1 98 ALA H 1 98 ALA MB . . 3.490 1.956 1.735 2.116 0.065 21 0 "[ . 1 . 2 ]" 1
155 1 1 MET HA 1 2 ASN H . . 2.800 2.629 2.365 2.799 . 0 0 "[ . 1 . 2 ]" 1
156 1 1 MET HA 1 2 ASN HA . . 5.000 4.694 4.564 4.789 . 0 0 "[ . 1 . 2 ]" 1
157 1 2 ASN HA 1 3 LYS H . . 3.500 2.756 2.509 3.004 . 0 0 "[ . 1 . 2 ]" 1
158 1 2 ASN QB 1 3 LYS H . . 4.360 2.200 1.856 2.813 . 0 0 "[ . 1 . 2 ]" 1
159 1 2 ASN HA 1 3 LYS HA . . 5.000 4.427 4.387 4.478 . 0 0 "[ . 1 . 2 ]" 1
160 1 3 LYS H 1 4 THR H . . 4.000 2.853 2.771 2.946 . 0 0 "[ . 1 . 2 ]" 1
161 1 4 THR H 1 5 GLU H . . 2.800 2.318 1.921 2.677 . 0 0 "[ . 1 . 2 ]" 1
162 1 4 THR HB 1 5 GLU H . . 4.000 2.248 1.988 2.534 . 0 0 "[ . 1 . 2 ]" 1
163 1 4 THR HA 1 5 GLU H . . 3.500 3.574 3.555 3.584 0.084 14 0 "[ . 1 . 2 ]" 1
164 1 4 THR MG 1 5 GLU QG . . 7.060 3.647 2.714 5.076 . 0 0 "[ . 1 . 2 ]" 1
165 1 4 THR MG 1 5 GLU QB . . 7.060 4.228 3.500 4.539 . 0 0 "[ . 1 . 2 ]" 1
166 1 4 THR MG 1 5 GLU HA . . 7.060 3.346 3.000 3.725 . 0 0 "[ . 1 . 2 ]" 1
167 1 5 GLU HA 1 6 LEU H . . 3.500 3.576 3.561 3.592 0.092 17 0 "[ . 1 . 2 ]" 1
168 1 5 GLU H 1 6 LEU H . . 2.800 2.828 2.690 2.904 0.104 14 0 "[ . 1 . 2 ]" 1
169 1 5 GLU QB 1 6 LEU H . . 4.620 2.463 2.252 2.615 . 0 0 "[ . 1 . 2 ]" 1
170 1 4 THR H 1 6 LEU H . . 4.000 3.489 3.258 3.750 . 0 0 "[ . 1 . 2 ]" 1
171 1 7 ILE H 1 8 LYS H . . 2.800 2.721 2.622 2.873 0.073 1 0 "[ . 1 . 2 ]" 1
172 1 7 ILE HA 1 8 LYS H . . 3.500 3.542 3.516 3.563 0.063 9 0 "[ . 1 . 2 ]" 1
173 1 8 LYS H 1 9 ALA H . . 2.800 2.558 2.456 2.664 . 0 0 "[ . 1 . 2 ]" 1
174 1 9 ALA H 1 10 ILE H . . 2.800 2.732 2.610 2.808 0.008 12 0 "[ . 1 . 2 ]" 1
175 1 9 ALA HA 1 10 ILE MD . . 6.030 4.301 4.012 4.844 . 0 0 "[ . 1 . 2 ]" 1
176 1 10 ILE H 1 11 ALA H . . 2.800 2.096 2.021 2.153 . 0 0 "[ . 1 . 2 ]" 1
177 1 11 ALA H 1 12 GLN H . . 2.800 2.582 2.526 2.638 . 0 0 "[ . 1 . 2 ]" 1
178 1 11 ALA MB 1 12 GLN H . . 4.470 2.995 2.777 3.133 . 0 0 "[ . 1 . 2 ]" 1
179 1 12 GLN H 1 13 ASP H . . 2.800 2.122 2.006 2.295 . 0 0 "[ . 1 . 2 ]" 1
180 1 12 GLN QB 1 13 ASP H . . 4.860 2.853 2.388 3.468 . 0 0 "[ . 1 . 2 ]" 1
181 1 13 ASP H 1 14 THR H . . 4.000 2.344 2.203 2.455 . 0 0 "[ . 1 . 2 ]" 1
182 1 13 ASP QB 1 14 THR MG . . 5.410 3.893 3.125 4.099 . 0 0 "[ . 1 . 2 ]" 1
183 1 14 THR H 1 15 GLY H . . 2.800 2.678 2.527 2.818 0.018 11 0 "[ . 1 . 2 ]" 1
184 1 14 THR MG 1 15 GLY H . . 6.030 3.586 3.471 3.693 . 0 0 "[ . 1 . 2 ]" 1
185 1 15 GLY H 1 16 LEU H . . 2.800 2.793 2.594 3.003 0.203 11 0 "[ . 1 . 2 ]" 1
186 1 14 THR H 1 16 LEU H . . 5.000 4.826 4.712 4.901 . 0 0 "[ . 1 . 2 ]" 1
187 1 14 THR HA 1 16 LEU H . . 5.000 3.718 3.303 3.940 . 0 0 "[ . 1 . 2 ]" 1
188 1 14 THR HB 1 16 LEU H . . 5.000 2.811 2.451 3.336 . 0 0 "[ . 1 . 2 ]" 1
189 1 16 LEU H 1 17 THR H . . 3.500 2.735 2.221 3.306 . 0 0 "[ . 1 . 2 ]" 1
190 1 16 LEU HA 1 17 THR H . . 3.500 3.504 3.417 3.539 0.039 2 0 "[ . 1 . 2 ]" 1
191 1 16 LEU HG 1 17 THR H . . 6.310 4.153 3.587 4.476 . 0 0 "[ . 1 . 2 ]" 1
192 1 16 LEU HG 1 17 THR HB . . 6.310 5.579 5.077 5.862 . 0 0 "[ . 1 . 2 ]" 1
193 1 16 LEU HG 1 17 THR HA . . 6.310 6.384 6.166 6.507 0.197 7 0 "[ . 1 . 2 ]" 1
194 1 19 VAL H 1 20 SER H . . 4.000 3.951 3.785 4.064 0.064 20 0 "[ . 1 . 2 ]" 1
195 1 19 VAL QG 1 20 SER HA . . 5.810 3.430 3.363 3.509 . 0 0 "[ . 1 . 2 ]" 1
196 1 19 VAL QG 1 20 SER H . . 5.810 1.600 1.501 1.676 0.299 2 0 "[ . 1 . 2 ]" 1
197 1 19 VAL HB 1 20 SER H . . 3.500 3.425 3.386 3.503 0.003 13 0 "[ . 1 . 2 ]" 1
198 1 20 SER HA 1 21 VAL H . . 3.500 3.059 3.021 3.105 . 0 0 "[ . 1 . 2 ]" 1
199 1 20 SER H 1 21 VAL H . . 3.500 2.109 2.018 2.214 . 0 0 "[ . 1 . 2 ]" 1
200 1 20 SER QB 1 21 VAL H . . 4.860 3.755 3.634 3.974 . 0 0 "[ . 1 . 2 ]" 1
201 1 21 VAL HB 1 22 SER H . . 3.500 3.509 3.318 3.573 0.073 6 0 "[ . 1 . 2 ]" 1
202 1 21 VAL QG 1 22 SER H . . 5.030 1.846 1.693 1.884 0.107 21 0 "[ . 1 . 2 ]" 1
203 1 22 SER H 1 23 LYS H . . 2.800 2.399 2.298 2.551 . 0 0 "[ . 1 . 2 ]" 1
204 1 23 LYS H 1 24 MET H . . 2.800 2.454 2.233 2.601 . 0 0 "[ . 1 . 2 ]" 1
205 1 24 MET H 1 25 LEU H . . 2.800 2.573 2.461 2.688 . 0 0 "[ . 1 . 2 ]" 1
206 1 24 MET ME 1 25 LEU H . . 7.200 2.096 1.847 2.607 . 0 0 "[ . 1 . 2 ]" 1
207 1 24 MET ME 1 25 LEU QD . . 8.510 2.386 1.713 4.070 0.087 1 0 "[ . 1 . 2 ]" 1
208 1 25 LEU H 1 26 ALA H . . 2.800 2.489 2.314 2.641 . 0 0 "[ . 1 . 2 ]" 1
209 1 25 LEU QD 1 26 ALA H . . 6.310 3.681 2.373 4.144 . 0 0 "[ . 1 . 2 ]" 1
210 1 26 ALA H 1 27 SER H . . 2.800 2.568 2.461 2.799 . 0 0 "[ . 1 . 2 ]" 1
211 1 26 ALA MB 1 27 SER H . . 4.970 2.601 2.456 2.858 . 0 0 "[ . 1 . 2 ]" 1
212 1 27 SER H 1 28 PHE H . . 2.800 2.308 2.238 2.396 . 0 0 "[ . 1 . 2 ]" 1
213 1 27 SER HA 1 28 PHE H . . 3.500 3.527 3.507 3.542 0.042 9 0 "[ . 1 . 2 ]" 1
214 1 28 PHE H 1 29 GLU H . . 2.800 2.749 2.523 2.907 0.107 20 0 "[ . 1 . 2 ]" 1
215 1 28 PHE QB 1 29 GLU H . . 4.860 2.719 2.399 3.009 . 0 0 "[ . 1 . 2 ]" 1
216 1 28 PHE QD 1 29 GLU H . . 5.630 2.416 1.942 2.989 . 0 0 "[ . 1 . 2 ]" 1
217 1 28 PHE QD 1 29 GLU QG . . 6.510 3.150 1.744 4.394 0.056 11 0 "[ . 1 . 2 ]" 1
218 1 28 PHE HA 1 29 GLU QG . . 7.000 5.754 4.856 6.340 . 0 0 "[ . 1 . 2 ]" 1
219 1 29 GLU H 1 30 LYS H . . 2.800 2.300 1.992 2.438 . 0 0 "[ . 1 . 2 ]" 1
220 1 29 GLU HA 1 30 LYS H . . 3.500 3.496 3.407 3.526 0.026 12 0 "[ . 1 . 2 ]" 1
221 1 30 LYS QB 1 31 ILE H . . 4.210 2.903 2.720 3.060 . 0 0 "[ . 1 . 2 ]" 1
222 1 31 ILE H 1 32 ILE H . . 2.800 2.058 1.917 2.268 . 0 0 "[ . 1 . 2 ]" 1
223 1 33 THR H 1 34 GLU H . . 2.800 2.549 2.383 2.713 . 0 0 "[ . 1 . 2 ]" 1
224 1 33 THR HB 1 34 GLU H . . 3.500 3.097 2.101 3.397 . 0 0 "[ . 1 . 2 ]" 1
225 1 33 THR HA 1 34 GLU H . . 3.500 3.556 3.509 3.594 0.094 17 0 "[ . 1 . 2 ]" 1
226 1 33 THR MG 1 34 GLU HA . . 6.030 3.260 2.929 5.327 . 0 0 "[ . 1 . 2 ]" 1
227 1 33 THR MG 1 34 GLU H . . 4.530 2.547 1.937 3.975 . 0 0 "[ . 1 . 2 ]" 1
228 1 34 GLU H 1 35 THR H . . 2.800 2.682 2.553 2.819 0.019 15 0 "[ . 1 . 2 ]" 1
229 1 35 THR H 1 36 VAL H . . 4.000 2.761 2.511 2.910 . 0 0 "[ . 1 . 2 ]" 1
230 1 35 THR MG 1 36 VAL H . . 5.030 2.981 2.566 3.701 . 0 0 "[ . 1 . 2 ]" 1
231 1 36 VAL H 1 37 ALA H . . 4.000 2.660 2.541 2.829 . 0 0 "[ . 1 . 2 ]" 1
232 1 36 VAL HB 1 37 ALA H . . 3.500 2.936 2.398 3.811 0.311 20 0 "[ . 1 . 2 ]" 1
233 1 37 ALA MB 1 38 LYS HA . . 6.030 4.085 3.947 4.233 . 0 0 "[ . 1 . 2 ]" 1
234 1 37 ALA H 1 38 LYS H . . 2.800 2.466 2.390 2.578 . 0 0 "[ . 1 . 2 ]" 1
235 1 37 ALA MB 1 38 LYS H . . 4.380 3.121 2.653 3.381 . 0 0 "[ . 1 . 2 ]" 1
236 1 38 LYS H 1 39 GLY H . . 2.800 1.996 1.861 2.323 . 0 0 "[ . 1 . 2 ]" 1
237 1 38 LYS QB 1 39 GLY H . . 4.880 2.949 2.614 3.579 . 0 0 "[ . 1 . 2 ]" 1
238 1 38 LYS H 1 40 ASP H . . 3.500 3.530 2.892 3.708 0.208 7 0 "[ . 1 . 2 ]" 1
239 1 39 GLY H 1 40 ASP H . . 2.800 2.235 1.983 2.756 . 0 0 "[ . 1 . 2 ]" 1
240 1 39 GLY QA 1 40 ASP H . . 4.020 2.748 2.647 2.840 . 0 0 "[ . 1 . 2 ]" 1
241 1 38 LYS H 1 39 GLY QA . . 4.520 4.000 3.849 4.258 . 0 0 "[ . 1 . 2 ]" 1
242 1 38 LYS HA 1 39 GLY QA . . 4.500 4.190 4.137 4.211 . 0 0 "[ . 1 . 2 ]" 1
243 1 40 ASP HA 1 41 LYS H . . 2.800 2.257 2.167 2.637 . 0 0 "[ . 1 . 2 ]" 1
244 1 40 ASP QB 1 41 LYS H . . 4.120 3.298 2.266 3.650 . 0 0 "[ . 1 . 2 ]" 1
245 1 41 LYS HA 1 42 VAL H . . 2.800 2.357 2.224 2.640 . 0 0 "[ . 1 . 2 ]" 1
246 1 41 LYS QB 1 42 VAL H . . 4.620 3.835 3.344 4.022 . 0 0 "[ . 1 . 2 ]" 1
247 1 42 VAL HA 1 43 GLN H . . 2.800 2.273 2.167 2.499 . 0 0 "[ . 1 . 2 ]" 1
248 1 42 VAL QG 1 43 GLN H . . 5.730 2.737 1.876 3.711 . 0 0 "[ . 1 . 2 ]" 1
249 1 43 GLN HA 1 44 LEU H . . 2.800 2.348 2.217 2.546 . 0 0 "[ . 1 . 2 ]" 1
250 1 43 GLN QB 1 44 LEU H . . 4.620 3.291 2.319 4.017 . 0 0 "[ . 1 . 2 ]" 1
251 1 43 GLN HA 1 44 LEU QD . . 7.810 4.140 3.500 4.950 . 0 0 "[ . 1 . 2 ]" 1
252 1 44 LEU HA 1 45 THR MG . . 5.030 3.288 3.002 4.033 . 0 0 "[ . 1 . 2 ]" 1
253 1 47 PHE HA 1 48 LEU H . . 3.500 3.530 3.462 3.621 0.121 17 0 "[ . 1 . 2 ]" 1
254 1 47 PHE QB 1 48 LEU H . . 4.120 3.588 3.230 3.717 . 0 0 "[ . 1 . 2 ]" 1
255 1 47 PHE QD 1 48 LEU H . . 5.630 3.048 1.833 3.426 . 0 0 "[ . 1 . 2 ]" 1
256 1 47 PHE QD 1 48 LEU HG . . 5.630 2.543 1.718 5.126 0.082 8 0 "[ . 1 . 2 ]" 1
257 1 47 PHE QE 1 48 LEU HG . . 5.630 2.370 1.811 4.258 . 0 0 "[ . 1 . 2 ]" 1
258 1 47 PHE HZ 1 48 LEU HG . . 5.000 4.150 3.246 4.721 . 0 0 "[ . 1 . 2 ]" 1
259 1 48 LEU HA 1 49 ASN H . . 2.800 2.205 2.113 2.328 . 0 0 "[ . 1 . 2 ]" 1
260 1 48 LEU QD 1 49 ASN H . . 5.810 2.851 2.273 3.423 . 0 0 "[ . 1 . 2 ]" 1
261 1 49 ASN HA 1 50 ILE H . . 2.800 2.398 2.178 2.678 . 0 0 "[ . 1 . 2 ]" 1
262 1 49 ASN QB 1 50 ILE H . . 4.620 3.917 3.486 4.051 . 0 0 "[ . 1 . 2 ]" 1
263 1 50 ILE HA 1 51 LYS H . . 2.800 2.297 2.166 2.430 . 0 0 "[ . 1 . 2 ]" 1
264 1 50 ILE MD 1 51 LYS H . . 5.030 3.768 3.016 4.222 . 0 0 "[ . 1 . 2 ]" 1
265 1 51 LYS HA 1 52 PRO QD . . 3.420 1.947 1.817 2.037 . 0 0 "[ . 1 . 2 ]" 1
266 1 51 LYS QB 1 52 PRO QD . . 5.480 3.121 2.808 3.595 . 0 0 "[ . 1 . 2 ]" 1
267 1 52 PRO HA 1 53 VAL H . . 2.800 2.228 2.134 2.358 . 0 0 "[ . 1 . 2 ]" 1
268 1 53 VAL HA 1 54 ALA H . . 2.800 2.340 2.094 3.055 0.255 6 0 "[ . 1 . 2 ]" 1
269 1 53 VAL QG 1 54 ALA H . . 5.730 3.317 1.890 3.676 . 0 0 "[ . 1 . 2 ]" 1
270 1 53 VAL HB 1 54 ALA H . . 3.500 3.306 1.976 3.732 0.232 11 0 "[ . 1 . 2 ]" 1
271 1 54 ALA HA 1 55 ARG H . . 2.800 2.194 2.146 2.277 . 0 0 "[ . 1 . 2 ]" 1
272 1 54 ALA MB 1 55 ARG H . . 4.470 3.250 2.886 3.570 . 0 0 "[ . 1 . 2 ]" 1
273 1 55 ARG HA 1 56 GLN QG . . 4.880 4.049 3.057 4.613 . 0 0 "[ . 1 . 2 ]" 1
274 1 57 ALA MB 1 58 ARG H . . 4.470 2.571 1.878 3.747 . 0 0 "[ . 1 . 2 ]" 1
275 1 61 PHE HA 1 62 ASN H . . 2.800 2.565 2.173 3.209 0.409 22 0 "[ . 1 . 2 ]" 1
276 1 61 PHE QB 1 62 ASN H . . 4.860 2.765 1.993 3.708 . 0 0 "[ . 1 . 2 ]" 1
277 1 62 ASN HA 1 63 PRO QD . . 3.800 3.198 2.316 3.571 . 0 0 "[ . 1 . 2 ]" 1
278 1 64 GLN HA 1 65 THR H . . 3.500 3.087 2.314 3.561 0.061 9 0 "[ . 1 . 2 ]" 1
279 1 64 GLN H 1 65 THR H . . 3.500 3.165 2.001 3.718 0.218 22 0 "[ . 1 . 2 ]" 1
280 1 64 GLN QB 1 65 THR H . . 4.360 2.699 1.479 4.000 0.321 22 0 "[ . 1 . 2 ]" 1
281 1 64 GLN QB 1 65 THR HG1 . . 5.410 3.211 2.023 3.779 . 0 0 "[ . 1 . 2 ]" 1
282 1 65 THR H 1 66 GLN H . . 3.500 2.430 1.705 3.561 0.095 21 0 "[ . 1 . 2 ]" 1
283 1 65 THR HA 1 66 GLN H . . 3.500 3.143 2.249 3.522 0.022 19 0 "[ . 1 . 2 ]" 1
284 1 66 GLN HA 1 67 GLU H . . 3.500 2.840 2.076 3.582 0.082 21 0 "[ . 1 . 2 ]" 1
285 1 67 GLU HA 1 68 ALA H . . 2.800 2.459 2.183 3.126 0.326 23 0 "[ . 1 . 2 ]" 1
286 1 67 GLU QB 1 68 ALA H . . 4.860 3.748 2.167 4.108 . 0 0 "[ . 1 . 2 ]" 1
287 1 67 GLU QG 1 68 ALA H . . 4.880 3.902 2.074 4.378 . 0 0 "[ . 1 . 2 ]" 1
288 1 68 ALA HA 1 69 LEU H . . 3.500 2.361 2.084 3.192 . 0 0 "[ . 1 . 2 ]" 1
289 1 68 ALA MB 1 69 LEU H . . 4.470 3.174 1.831 3.743 . 0 0 "[ . 1 . 2 ]" 1
290 1 69 LEU HA 1 70 GLU H . . 3.500 2.817 2.220 3.202 . 0 0 "[ . 1 . 2 ]" 1
291 1 69 LEU QD 1 70 GLU H . . 6.310 3.710 1.843 4.469 . 0 0 "[ . 1 . 2 ]" 1
292 1 71 ILE HA 1 72 ALA H . . 2.800 2.619 1.992 3.047 0.247 15 0 "[ . 1 . 2 ]" 1
293 1 71 ILE HB 1 72 ALA H . . 3.500 2.638 1.724 3.816 0.316 10 0 "[ . 1 . 2 ]" 1
294 1 71 ILE MG 1 72 ALA H . . 4.530 3.619 1.965 4.206 . 0 0 "[ . 1 . 2 ]" 1
295 1 71 ILE MD 1 72 ALA H . . 5.030 2.701 1.659 4.055 0.141 2 0 "[ . 1 . 2 ]" 1
296 1 71 ILE HA 1 72 ALA MB . . 4.700 3.781 3.498 4.128 . 0 0 "[ . 1 . 2 ]" 1
297 1 72 ALA HA 1 73 PRO QD . . 3.420 2.155 1.748 2.719 0.052 2 0 "[ . 1 . 2 ]" 1
298 1 72 ALA H 1 73 PRO QD . . 4.620 3.478 1.381 4.347 0.419 18 0 "[ . 1 . 2 ]" 1
299 1 72 ALA MB 1 73 PRO QD . . 4.710 2.804 1.585 3.588 0.215 14 0 "[ . 1 . 2 ]" 1
300 1 73 PRO HA 1 74 SER H . . 2.800 2.331 2.142 3.084 0.284 9 0 "[ . 1 . 2 ]" 1
301 1 74 SER HA 1 75 VAL H . . 2.800 2.357 2.145 3.047 0.247 18 0 "[ . 1 . 2 ]" 1
302 1 74 SER QB 1 75 VAL H . . 4.860 3.300 1.974 4.001 . 0 0 "[ . 1 . 2 ]" 1
303 1 75 VAL HA 1 76 GLY H . . 3.500 2.480 2.062 2.718 . 0 0 "[ . 1 . 2 ]" 1
304 1 75 VAL QG 1 76 GLY H . . 5.030 2.049 1.769 2.695 0.031 18 0 "[ . 1 . 2 ]" 1
305 1 76 GLY QA 1 77 VAL H . . 3.320 2.347 2.129 2.745 . 0 0 "[ . 1 . 2 ]" 1
306 1 76 GLY H 1 77 VAL H . . 4.000 3.695 2.895 4.199 0.199 19 0 "[ . 1 . 2 ]" 1
307 1 77 VAL HA 1 78 SER H . . 2.800 2.373 2.149 2.515 . 0 0 "[ . 1 . 2 ]" 1
308 1 77 VAL HB 1 78 SER H . . 5.000 4.560 4.372 4.659 . 0 0 "[ . 1 . 2 ]" 1
309 1 77 VAL QG 1 78 SER H . . 5.730 3.423 3.258 3.590 . 0 0 "[ . 1 . 2 ]" 1
310 1 79 VAL HA 1 80 LYS H . . 2.800 2.592 2.351 2.916 0.116 17 0 "[ . 1 . 2 ]" 1
311 1 79 VAL HB 1 80 LYS H . . 4.000 3.587 2.040 3.851 . 0 0 "[ . 1 . 2 ]" 1
312 1 79 VAL QG 1 80 LYS H . . 5.730 1.832 1.668 3.021 0.132 15 0 "[ . 1 . 2 ]" 1
313 1 80 LYS HA 1 81 PRO QD . . 3.420 2.101 1.807 3.417 . 0 0 "[ . 1 . 2 ]" 1
314 1 80 LYS H 1 81 PRO QD . . 4.620 4.055 1.948 4.297 . 0 0 "[ . 1 . 2 ]" 1
315 1 81 PRO HA 1 82 GLY H . . 2.800 2.353 2.236 2.605 . 0 0 "[ . 1 . 2 ]" 1
316 1 82 GLY QA 1 83 GLU H . . 4.020 2.340 2.147 2.995 . 0 0 "[ . 1 . 2 ]" 1
317 1 83 GLU HA 1 84 SER H . . 3.500 3.282 2.619 3.540 0.040 15 0 "[ . 1 . 2 ]" 1
318 1 83 GLU QB 1 84 SER H . . 4.360 3.669 3.412 4.003 . 0 0 "[ . 1 . 2 ]" 1
319 1 83 GLU QG 1 84 SER H . . 4.380 2.618 1.881 4.168 . 0 0 "[ . 1 . 2 ]" 1
320 1 84 SER H 1 85 LEU H . . 2.800 2.849 2.502 3.279 0.479 9 0 "[ . 1 . 2 ]" 1
321 1 84 SER QB 1 85 LEU H . . 4.360 2.997 2.511 3.964 . 0 0 "[ . 1 . 2 ]" 1
322 1 85 LEU H 1 86 LYS H . . 2.800 2.418 2.253 2.672 . 0 0 "[ . 1 . 2 ]" 1
323 1 85 LEU QB 1 86 LYS H . . 4.860 2.982 2.471 3.918 . 0 0 "[ . 1 . 2 ]" 1
324 1 85 LEU QD 1 86 LYS H . . 6.310 3.482 2.592 4.127 . 0 0 "[ . 1 . 2 ]" 1
325 1 86 LYS H 1 87 LYS H . . 2.800 2.440 2.221 2.653 . 0 0 "[ . 1 . 2 ]" 1
326 1 86 LYS HA 1 87 LYS H . . 3.500 3.486 3.393 3.546 0.046 12 0 "[ . 1 . 2 ]" 1
327 1 87 LYS H 1 88 ALA H . . 2.800 2.423 2.264 2.549 . 0 0 "[ . 1 . 2 ]" 1
328 1 87 LYS HA 1 88 ALA H . . 3.500 3.530 3.512 3.544 0.044 19 0 "[ . 1 . 2 ]" 1
329 1 88 ALA H 1 89 ALA H . . 2.800 2.396 2.225 2.474 . 0 0 "[ . 1 . 2 ]" 1
330 1 88 ALA HA 1 89 ALA H . . 3.500 3.512 3.425 3.533 0.033 8 0 "[ . 1 . 2 ]" 1
331 1 88 ALA MB 1 89 ALA H . . 4.470 2.597 2.443 2.951 . 0 0 "[ . 1 . 2 ]" 1
332 1 89 ALA H 1 90 GLU H . . 2.800 2.645 2.242 2.821 0.021 5 0 "[ . 1 . 2 ]" 1
333 1 89 ALA HA 1 90 GLU H . . 3.500 3.540 3.471 3.579 0.079 20 0 "[ . 1 . 2 ]" 1
334 1 90 GLU H 1 91 GLY H . . 2.800 2.514 2.302 2.637 . 0 0 "[ . 1 . 2 ]" 1
335 1 90 GLU HA 1 91 GLY H . . 3.500 3.498 3.469 3.533 0.033 4 0 "[ . 1 . 2 ]" 1
336 1 91 GLY H 1 92 LEU H . . 2.800 2.755 2.466 2.907 0.107 3 0 "[ . 1 . 2 ]" 1
337 1 91 GLY QA 1 92 LEU H . . 3.320 2.816 2.675 2.983 . 0 0 "[ . 1 . 2 ]" 1
338 1 92 LEU H 1 93 LYS H . . 2.800 2.844 2.631 2.996 0.196 6 0 "[ . 1 . 2 ]" 1
339 1 92 LEU HA 1 93 LYS H . . 3.500 3.342 2.981 3.585 0.085 17 0 "[ . 1 . 2 ]" 1
340 1 92 LEU QD 1 93 LYS H . . 6.310 3.448 2.253 4.230 . 0 0 "[ . 1 . 2 ]" 1
341 1 92 LEU QB 1 93 LYS H . . 4.860 3.499 1.842 4.014 . 0 0 "[ . 1 . 2 ]" 1
342 1 94 TYR H 1 95 GLU H . . 3.500 3.051 2.641 3.524 0.024 19 0 "[ . 1 . 2 ]" 1
343 1 94 TYR QB 1 95 GLU H . . 4.860 2.580 1.763 3.300 0.037 8 0 "[ . 1 . 2 ]" 1
344 1 94 TYR HA 1 95 GLU H . . 3.500 3.578 3.524 3.642 0.142 19 0 "[ . 1 . 2 ]" 1
345 1 95 GLU HA 1 96 ASP H . . 3.500 3.337 2.713 3.571 0.071 5 0 "[ . 1 . 2 ]" 1
346 1 95 GLU H 1 96 ASP H . . 2.800 2.783 2.564 2.986 0.186 7 0 "[ . 1 . 2 ]" 1
347 1 94 TYR QD 1 95 GLU QG . . 8.010 3.770 1.919 4.956 . 0 0 "[ . 1 . 2 ]" 1
348 1 94 TYR QE 1 95 GLU QG . . 8.000 4.926 2.302 6.374 . 0 0 "[ . 1 . 2 ]" 1
349 1 96 ASP H 1 97 PHE H . . 3.500 2.736 2.493 3.199 . 0 0 "[ . 1 . 2 ]" 1
350 1 96 ASP HA 1 97 PHE H . . 3.500 3.351 2.830 3.534 0.034 12 0 "[ . 1 . 2 ]" 1
351 1 96 ASP QB 1 97 PHE H . . 4.860 2.990 2.489 3.993 . 0 0 "[ . 1 . 2 ]" 1
352 1 97 PHE H 1 98 ALA H . . 2.800 2.391 2.209 2.538 . 0 0 "[ . 1 . 2 ]" 1
353 1 97 PHE HA 1 98 ALA H . . 3.500 3.313 2.782 3.529 0.029 20 0 "[ . 1 . 2 ]" 1
354 1 97 PHE QB 1 98 ALA H . . 4.860 3.093 2.682 3.843 . 0 0 "[ . 1 . 2 ]" 1
355 1 98 ALA HA 1 99 LYS H . . 3.500 3.525 3.435 3.573 0.073 17 0 "[ . 1 . 2 ]" 1
356 1 98 ALA H 1 99 LYS H . . 3.500 2.623 2.351 3.114 . 0 0 "[ . 1 . 2 ]" 1
357 1 98 ALA MB 1 99 LYS H . . 4.700 2.505 1.952 2.904 . 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 926
_Distance_constraint_stats_list.Viol_count 2450
_Distance_constraint_stats_list.Viol_total 6173.110
_Distance_constraint_stats_list.Viol_max 2.068
_Distance_constraint_stats_list.Viol_rms 0.0518
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0126
_Distance_constraint_stats_list.Viol_average_violations_only 0.1095
_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 1.136 0.184 19 0 "[ . 1 . 2 ]"
1 2 ASN 8.436 0.275 13 0 "[ . 1 . 2 ]"
1 3 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 4 THR 2.226 0.154 19 0 "[ . 1 . 2 ]"
1 5 GLU 1.136 0.234 15 0 "[ . 1 . 2 ]"
1 6 LEU 8.526 0.275 13 0 "[ . 1 . 2 ]"
1 7 ILE 0.712 0.262 9 0 "[ . 1 . 2 ]"
1 8 LYS 4.653 0.245 22 0 "[ . 1 . 2 ]"
1 9 ALA 3.080 0.195 1 0 "[ . 1 . 2 ]"
1 10 ILE 4.490 0.269 19 0 "[ . 1 . 2 ]"
1 11 ALA 5.750 0.245 22 0 "[ . 1 . 2 ]"
1 12 GLN 6.986 0.260 6 0 "[ . 1 . 2 ]"
1 13 ASP 6.358 0.269 19 0 "[ . 1 . 2 ]"
1 14 THR 0.888 0.139 1 0 "[ . 1 . 2 ]"
1 15 GLY 2.259 0.260 21 0 "[ . 1 . 2 ]"
1 16 LEU 10.833 0.413 10 0 "[ . 1 . 2 ]"
1 17 THR 1.382 0.105 11 0 "[ . 1 . 2 ]"
1 18 GLN 1.177 0.105 11 0 "[ . 1 . 2 ]"
1 19 VAL 0.071 0.035 2 0 "[ . 1 . 2 ]"
1 20 SER 12.002 0.602 7 14 "[*** . + ** ***-*** *]"
1 21 VAL 6.774 0.398 20 0 "[ . 1 . 2 ]"
1 22 SER 19.488 0.602 7 14 "[*** . + ** ***-*** *]"
1 23 LYS 2.166 0.141 16 0 "[ . 1 . 2 ]"
1 24 MET 9.013 0.364 19 0 "[ . 1 . 2 ]"
1 25 LEU 7.062 0.269 11 0 "[ . 1 . 2 ]"
1 26 ALA 0.004 0.004 16 0 "[ . 1 . 2 ]"
1 27 SER 1.260 0.138 12 0 "[ . 1 . 2 ]"
1 28 PHE 8.778 0.300 19 0 "[ . 1 . 2 ]"
1 29 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 30 LYS 2.340 0.224 10 0 "[ . 1 . 2 ]"
1 31 ILE 13.734 0.300 19 0 "[ . 1 . 2 ]"
1 32 ILE 15.501 0.370 11 0 "[ . 1 . 2 ]"
1 33 THR 6.836 0.370 11 0 "[ . 1 . 2 ]"
1 34 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 35 THR 11.758 0.306 14 0 "[ . 1 . 2 ]"
1 36 VAL 6.752 0.367 2 0 "[ . 1 . 2 ]"
1 37 ALA 0.031 0.031 7 0 "[ . 1 . 2 ]"
1 38 LYS 3.669 0.306 14 0 "[ . 1 . 2 ]"
1 39 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 40 ASP 6.482 0.188 17 0 "[ . 1 . 2 ]"
1 41 LYS 2.063 0.267 10 0 "[ . 1 . 2 ]"
1 42 VAL 5.401 0.280 10 0 "[ . 1 . 2 ]"
1 43 GLN 0.128 0.045 9 0 "[ . 1 . 2 ]"
1 44 LEU 1.621 0.166 23 0 "[ . 1 . 2 ]"
1 45 THR 1.479 0.239 15 0 "[ . 1 . 2 ]"
1 47 PHE 6.349 0.286 23 0 "[ . 1 . 2 ]"
1 48 LEU 3.432 0.286 23 0 "[ . 1 . 2 ]"
1 49 ASN 2.729 0.301 17 0 "[ . 1 . 2 ]"
1 50 ILE 2.265 0.280 10 0 "[ . 1 . 2 ]"
1 51 LYS 9.798 0.300 14 0 "[ . 1 . 2 ]"
1 52 PRO 2.337 0.207 22 0 "[ . 1 . 2 ]"
1 53 VAL 10.488 0.396 6 0 "[ . 1 . 2 ]"
1 54 ALA 2.261 0.194 9 0 "[ . 1 . 2 ]"
1 55 ARG 2.331 0.296 14 0 "[ . 1 . 2 ]"
1 56 GLN 0.704 0.358 9 0 "[ . 1 . 2 ]"
1 57 ALA 0.700 0.228 11 0 "[ . 1 . 2 ]"
1 58 ARG 1.322 0.516 22 1 "[ . 1 . 2 + ]"
1 59 LYS 0.999 0.516 22 1 "[ . 1 . 2 + ]"
1 60 GLY 1.211 0.388 11 0 "[ . 1 . 2 ]"
1 61 PHE 10.192 2.068 11 3 "[-* . 1+ . 2 ]"
1 62 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 64 GLN 0.502 0.274 22 0 "[ . 1 . 2 ]"
1 66 GLN 0.533 0.174 10 0 "[ . 1 . 2 ]"
1 67 GLU 2.084 0.521 3 1 "[ + . 1 . 2 ]"
1 68 ALA 8.417 2.068 11 4 "[**- . 1+ . 2 ]"
1 69 LEU 3.632 0.481 9 0 "[ . 1 . 2 ]"
1 70 GLU 1.021 0.388 11 0 "[ . 1 . 2 ]"
1 71 ILE 1.094 0.162 22 0 "[ . 1 . 2 ]"
1 72 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 73 PRO 0.668 0.358 9 0 "[ . 1 . 2 ]"
1 74 SER 2.559 0.296 14 0 "[ . 1 . 2 ]"
1 75 VAL 7.544 0.378 5 0 "[ . 1 . 2 ]"
1 76 GLY 8.429 0.396 6 0 "[ . 1 . 2 ]"
1 77 VAL 6.553 0.293 8 0 "[ . 1 . 2 ]"
1 78 SER 3.974 0.207 22 0 "[ . 1 . 2 ]"
1 79 VAL 4.696 0.300 14 0 "[ . 1 . 2 ]"
1 80 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 81 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 82 GLY 3.079 0.301 17 0 "[ . 1 . 2 ]"
1 83 GLU 0.036 0.036 21 0 "[ . 1 . 2 ]"
1 84 SER 0.131 0.045 23 0 "[ . 1 . 2 ]"
1 85 LEU 2.874 0.309 4 0 "[ . 1 . 2 ]"
1 86 LYS 5.348 0.322 21 0 "[ . 1 . 2 ]"
1 87 LYS 5.401 0.268 19 0 "[ . 1 . 2 ]"
1 88 ALA 5.284 0.322 21 0 "[ . 1 . 2 ]"
1 89 ALA 11.902 0.309 4 0 "[ . 1 . 2 ]"
1 90 GLU 0.057 0.057 17 0 "[ . 1 . 2 ]"
1 92 LEU 5.693 0.353 8 0 "[ . 1 . 2 ]"
1 93 LYS 0.528 0.145 19 0 "[ . 1 . 2 ]"
1 94 TYR 0.522 0.145 19 0 "[ . 1 . 2 ]"
1 95 GLU 4.021 0.448 6 0 "[ . 1 . 2 ]"
1 96 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 97 PHE 1.632 0.274 7 0 "[ . 1 . 2 ]"
1 98 ALA 2.483 0.448 6 0 "[ . 1 . 2 ]"
1 99 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 1 MET 0.112 0.052 21 0 "[ . 1 . 2 ]"
2 2 ASN 0.060 0.047 20 0 "[ . 1 . 2 ]"
2 3 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 4 THR 1.613 0.086 16 0 "[ . 1 . 2 ]"
2 5 GLU 4.005 0.101 16 0 "[ . 1 . 2 ]"
2 6 LEU 2.387 0.101 16 0 "[ . 1 . 2 ]"
2 7 ILE 2.190 0.098 10 0 "[ . 1 . 2 ]"
2 8 LYS 1.488 0.076 13 0 "[ . 1 . 2 ]"
2 9 ALA 0.054 0.031 16 0 "[ . 1 . 2 ]"
2 10 ILE 0.054 0.031 16 0 "[ . 1 . 2 ]"
2 11 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 12 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 13 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 14 THR 0.746 0.094 14 0 "[ . 1 . 2 ]"
2 15 GLY 1.462 0.191 1 0 "[ . 1 . 2 ]"
2 16 LEU 5.500 0.197 15 0 "[ . 1 . 2 ]"
2 17 THR 3.052 0.184 2 0 "[ . 1 . 2 ]"
2 18 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 19 VAL 4.630 0.281 2 0 "[ . 1 . 2 ]"
2 20 SER 4.630 0.281 2 0 "[ . 1 . 2 ]"
2 21 VAL 3.555 0.182 17 0 "[ . 1 . 2 ]"
2 22 SER 0.448 0.074 12 0 "[ . 1 . 2 ]"
2 23 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 24 MET 0.952 0.122 22 0 "[ . 1 . 2 ]"
2 25 LEU 0.952 0.122 22 0 "[ . 1 . 2 ]"
2 26 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 27 SER 0.643 0.062 3 0 "[ . 1 . 2 ]"
2 28 PHE 1.195 0.074 20 0 "[ . 1 . 2 ]"
2 29 GLU 0.787 0.074 20 0 "[ . 1 . 2 ]"
2 30 LYS 0.236 0.033 2 0 "[ . 1 . 2 ]"
2 31 ILE 9.282 0.301 22 0 "[ . 1 . 2 ]"
2 32 ILE 5.282 0.301 22 0 "[ . 1 . 2 ]"
2 33 THR 1.257 0.083 2 0 "[ . 1 . 2 ]"
2 34 GLU 1.303 0.083 2 0 "[ . 1 . 2 ]"
2 35 THR 0.063 0.046 14 0 "[ . 1 . 2 ]"
2 36 VAL 0.391 0.224 20 0 "[ . 1 . 2 ]"
2 37 ALA 0.391 0.224 20 0 "[ . 1 . 2 ]"
2 38 LYS 1.059 0.159 20 0 "[ . 1 . 2 ]"
2 39 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 40 ASP 1.021 0.159 20 0 "[ . 1 . 2 ]"
2 41 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 42 VAL 0.585 0.184 19 0 "[ . 1 . 2 ]"
2 43 GLN 0.463 0.078 7 0 "[ . 1 . 2 ]"
2 44 LEU 1.243 0.151 15 0 "[ . 1 . 2 ]"
2 45 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 47 PHE 1.011 0.113 11 0 "[ . 1 . 2 ]"
2 48 LEU 3.267 0.417 19 0 "[ . 1 . 2 ]"
2 49 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 50 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 51 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 52 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 53 VAL 2.947 0.202 12 0 "[ . 1 . 2 ]"
2 54 ALA 3.042 0.202 12 0 "[ . 1 . 2 ]"
2 55 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 56 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 57 ALA 0.067 0.067 7 0 "[ . 1 . 2 ]"
2 58 ARG 0.067 0.067 7 0 "[ . 1 . 2 ]"
2 61 PHE 0.032 0.032 2 0 "[ . 1 . 2 ]"
2 62 ASN 0.032 0.032 2 0 "[ . 1 . 2 ]"
2 63 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 64 GLN 2.220 0.656 6 1 "[ .+ 1 . 2 ]"
2 65 THR 2.418 0.656 6 1 "[ .+ 1 . 2 ]"
2 66 GLN 0.202 0.073 15 0 "[ . 1 . 2 ]"
2 67 GLU 0.104 0.100 15 0 "[ . 1 . 2 ]"
2 68 ALA 0.100 0.100 15 0 "[ . 1 . 2 ]"
2 69 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 70 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 71 ILE 6.223 0.411 1 0 "[ . 1 . 2 ]"
2 72 ALA 3.458 0.411 1 0 "[ . 1 . 2 ]"
2 73 PRO 0.577 0.364 12 0 "[ . 1 . 2 ]"
2 74 SER 0.654 0.263 10 0 "[ . 1 . 2 ]"
2 75 VAL 2.093 0.353 8 0 "[ . 1 . 2 ]"
2 76 GLY 0.344 0.078 11 0 "[ . 1 . 2 ]"
2 77 VAL 0.366 0.078 11 0 "[ . 1 . 2 ]"
2 78 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 79 VAL 0.850 0.102 1 0 "[ . 1 . 2 ]"
2 80 LYS 2.017 0.439 15 0 "[ . 1 . 2 ]"
2 81 PRO 1.167 0.439 15 0 "[ . 1 . 2 ]"
2 82 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 83 GLU 0.248 0.078 7 0 "[ . 1 . 2 ]"
2 84 SER 4.593 0.543 9 1 "[ . +1 . 2 ]"
2 85 LEU 4.345 0.543 9 1 "[ . +1 . 2 ]"
2 86 LYS 0.166 0.045 12 0 "[ . 1 . 2 ]"
2 87 LYS 0.887 0.049 22 0 "[ . 1 . 2 ]"
2 88 ALA 1.105 0.049 22 0 "[ . 1 . 2 ]"
2 89 ALA 4.103 0.257 7 0 "[ . 1 . 2 ]"
2 90 GLU 1.441 0.079 15 0 "[ . 1 . 2 ]"
2 91 GLY 0.237 0.045 6 0 "[ . 1 . 2 ]"
2 92 LEU 2.172 0.202 19 0 "[ . 1 . 2 ]"
2 93 LYS 2.071 0.202 19 0 "[ . 1 . 2 ]"
2 94 TYR 4.572 0.273 15 0 "[ . 1 . 2 ]"
2 95 GLU 2.733 0.136 5 0 "[ . 1 . 2 ]"
2 96 ASP 1.746 0.068 9 0 "[ . 1 . 2 ]"
2 97 PHE 0.530 0.043 13 0 "[ . 1 . 2 ]"
2 98 ALA 1.093 0.072 6 0 "[ . 1 . 2 ]"
2 99 LYS 1.025 0.072 6 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 2 ASN H 1 4 THR H . . 5.000 3.593 3.100 4.201 . 0 0 "[ . 1 . 2 ]" 2
2 1 2 ASN H 1 5 GLU H . . 5.500 2.857 2.556 3.137 . 0 0 "[ . 1 . 2 ]" 2
3 1 4 THR MG 1 8 LYS QE . . 5.910 3.963 2.318 4.199 . 0 0 "[ . 1 . 2 ]" 2
4 1 5 GLU HA 1 8 LYS H . . 4.000 3.477 3.183 3.742 . 0 0 "[ . 1 . 2 ]" 2
5 1 5 GLU HA 1 8 LYS QB . . 4.880 3.182 2.203 4.194 . 0 0 "[ . 1 . 2 ]" 2
6 1 9 ALA MB 1 12 GLN QB . . 6.910 4.780 4.299 5.169 . 0 0 "[ . 1 . 2 ]" 2
7 1 6 LEU HA 1 9 ALA MB . . 3.830 1.855 1.753 1.972 0.047 2 0 "[ . 1 . 2 ]" 2
8 1 7 ILE HA 1 10 ILE HB . . 4.000 3.256 2.697 3.756 . 0 0 "[ . 1 . 2 ]" 2
9 1 6 LEU HA 1 10 ILE MD . . 6.030 4.388 3.943 4.883 . 0 0 "[ . 1 . 2 ]" 2
10 1 11 ALA H 1 13 ASP H . . 5.000 4.170 4.031 4.270 . 0 0 "[ . 1 . 2 ]" 2
11 1 8 LYS H 1 11 ALA MB . . 4.500 3.753 3.655 3.826 . 0 0 "[ . 1 . 2 ]" 2
12 1 9 ALA HA 1 12 GLN QG . . 4.530 3.427 2.289 4.156 . 0 0 "[ . 1 . 2 ]" 2
13 1 10 ILE HA 1 13 ASP QB . . 4.880 2.165 1.892 2.444 . 0 0 "[ . 1 . 2 ]" 2
14 1 11 ALA HA 1 14 THR MG . . 5.830 4.761 3.377 5.096 . 0 0 "[ . 1 . 2 ]" 2
15 1 10 ILE MD 1 13 ASP QB . . 5.410 3.104 2.629 3.579 . 0 0 "[ . 1 . 2 ]" 2
16 1 14 THR HA 1 16 LEU QD . . 5.110 2.329 1.661 3.009 0.139 1 0 "[ . 1 . 2 ]" 2
17 1 17 THR MG 1 20 SER H . . 5.030 4.380 4.331 4.438 . 0 0 "[ . 1 . 2 ]" 2
18 1 16 LEU QD 1 18 GLN HA . . 8.310 4.750 3.573 5.333 . 0 0 "[ . 1 . 2 ]" 2
19 1 19 VAL QG 1 23 LYS HA . . 8.400 6.221 6.078 6.330 . 0 0 "[ . 1 . 2 ]" 2
20 1 19 VAL QG 1 23 LYS H . . 6.310 4.720 4.696 4.785 . 0 0 "[ . 1 . 2 ]" 2
21 1 19 VAL QG 2 24 MET H . . 7.900 5.847 5.745 5.962 . 0 0 "[ . 1 . 2 ]" 2
22 1 21 VAL QG 1 24 MET ME . . 7.260 2.988 2.721 3.291 . 0 0 "[ . 1 . 2 ]" 2
23 1 22 SER HA 1 25 LEU H . . 4.000 4.074 4.006 4.145 0.145 7 0 "[ . 1 . 2 ]" 2
24 1 22 SER QB 1 25 LEU H . . 6.000 5.279 5.021 5.440 . 0 0 "[ . 1 . 2 ]" 2
25 1 22 SER HA 1 25 LEU QB . . 4.880 3.538 3.253 4.023 . 0 0 "[ . 1 . 2 ]" 2
26 1 15 GLY H 1 24 MET ME . . 8.400 6.987 6.914 7.098 . 0 0 "[ . 1 . 2 ]" 2
27 1 21 VAL HA 1 24 MET ME . . 5.030 1.853 1.603 2.039 0.197 15 0 "[ . 1 . 2 ]" 2
28 1 24 MET HA 1 27 SER H . . 4.000 3.477 3.212 4.084 0.084 15 0 "[ . 1 . 2 ]" 2
29 1 24 MET ME 1 28 PHE QE . . 8.160 6.320 6.154 6.462 . 0 0 "[ . 1 . 2 ]" 2
30 1 24 MET ME 1 28 PHE QD . . 7.100 5.084 4.889 5.219 . 0 0 "[ . 1 . 2 ]" 2
31 1 24 MET ME 1 28 PHE H . . 6.000 4.829 4.496 5.011 . 0 0 "[ . 1 . 2 ]" 2
32 1 7 ILE H 1 25 LEU QD . . 8.200 2.669 2.137 4.134 . 0 0 "[ . 1 . 2 ]" 2
33 1 23 LYS H 1 25 LEU H . . 5.000 4.006 3.786 4.246 . 0 0 "[ . 1 . 2 ]" 2
34 1 25 LEU QD 1 28 PHE QD . . 7.230 3.009 2.078 3.447 . 0 0 "[ . 1 . 2 ]" 2
35 1 25 LEU QD 1 28 PHE QE . . 7.930 3.846 2.738 4.778 . 0 0 "[ . 1 . 2 ]" 2
36 1 25 LEU QB 1 28 PHE QD . . 6.690 3.938 2.961 4.659 . 0 0 "[ . 1 . 2 ]" 2
37 1 25 LEU QB 1 28 PHE QB . . 6.760 3.598 3.263 3.814 . 0 0 "[ . 1 . 2 ]" 2
38 1 25 LEU QB 1 28 PHE HA . . 7.000 6.294 5.989 6.412 . 0 0 "[ . 1 . 2 ]" 2
39 1 25 LEU HA 1 29 GLU H . . 5.000 3.960 3.614 4.229 . 0 0 "[ . 1 . 2 ]" 2
40 1 23 LYS HA 1 26 ALA MB . . 3.830 2.247 1.893 2.641 . 0 0 "[ . 1 . 2 ]" 2
41 1 25 LEU H 1 27 SER H . . 5.000 3.661 3.493 3.796 . 0 0 "[ . 1 . 2 ]" 2
42 1 27 SER H 1 29 GLU H . . 5.000 4.065 3.755 4.361 . 0 0 "[ . 1 . 2 ]" 2
43 1 25 LEU HA 1 28 PHE QB . . 4.880 1.741 1.588 1.908 0.212 9 0 "[ . 1 . 2 ]" 2
44 1 28 PHE QB 1 31 ILE H . . 6.880 4.712 4.612 4.786 . 0 0 "[ . 1 . 2 ]" 2
45 1 26 ALA HA 1 29 GLU QG . . 7.000 5.215 4.287 5.968 . 0 0 "[ . 1 . 2 ]" 2
46 1 29 GLU QG 2 47 PHE HZ . . 4.380 3.193 2.184 3.918 . 0 0 "[ . 1 . 2 ]" 2
47 1 29 GLU QG 1 32 ILE HA . . 6.880 6.019 5.801 6.249 . 0 0 "[ . 1 . 2 ]" 2
48 1 29 GLU QG 1 32 ILE QG . . 6.910 3.879 3.219 4.469 . 0 0 "[ . 1 . 2 ]" 2
49 1 29 GLU QG 1 32 ILE MG . . 6.910 4.018 3.710 4.231 . 0 0 "[ . 1 . 2 ]" 2
50 1 29 GLU QG 1 32 ILE MD . . 6.910 4.866 4.335 5.251 . 0 0 "[ . 1 . 2 ]" 2
51 1 28 PHE H 1 30 LYS H . . 5.000 3.773 3.527 3.899 . 0 0 "[ . 1 . 2 ]" 2
52 1 30 LYS H 1 32 ILE H . . 5.000 3.917 3.737 4.136 . 0 0 "[ . 1 . 2 ]" 2
53 1 28 PHE HA 1 31 ILE HB . . 4.000 4.255 4.200 4.300 0.300 19 0 "[ . 1 . 2 ]" 2
54 1 29 GLU H 1 31 ILE H . . 5.000 3.647 3.421 3.780 . 0 0 "[ . 1 . 2 ]" 2
55 1 29 GLU QG 1 32 ILE H . . 5.880 4.572 4.280 4.795 . 0 0 "[ . 1 . 2 ]" 2
56 1 28 PHE QD 1 32 ILE HA . . 6.000 5.541 4.964 5.851 . 0 0 "[ . 1 . 2 ]" 2
57 1 28 PHE QE 1 32 ILE HA . . 6.400 5.586 5.278 5.846 . 0 0 "[ . 1 . 2 ]" 2
58 1 32 ILE HA 1 35 THR HB . . 4.000 2.955 2.454 3.337 . 0 0 "[ . 1 . 2 ]" 2
59 1 29 GLU H 1 33 THR MG . . 7.400 6.282 6.116 6.558 . 0 0 "[ . 1 . 2 ]" 2
60 1 29 GLU QG 1 33 THR MG . . 7.910 4.330 2.772 5.775 . 0 0 "[ . 1 . 2 ]" 2
61 1 29 GLU HA 1 33 THR MG . . 6.030 4.763 4.031 5.079 . 0 0 "[ . 1 . 2 ]" 2
62 1 33 THR MG 1 36 VAL QG . . 8.840 4.168 2.916 4.873 . 0 0 "[ . 1 . 2 ]" 2
63 1 34 GLU QG 1 37 ALA MB . . 8.200 4.163 3.706 5.242 . 0 0 "[ . 1 . 2 ]" 2
64 1 32 ILE HA 1 35 THR MG . . 6.030 4.218 3.592 4.670 . 0 0 "[ . 1 . 2 ]" 2
65 1 33 THR HA 1 36 VAL HB . . 4.000 3.349 2.530 4.275 0.275 23 0 "[ . 1 . 2 ]" 2
66 1 33 THR HB 1 37 ALA MB . . 7.200 5.593 3.429 6.000 . 0 0 "[ . 1 . 2 ]" 2
67 1 34 GLU HA 1 37 ALA MB . . 3.830 2.133 1.847 2.927 . 0 0 "[ . 1 . 2 ]" 2
68 1 35 THR H 1 39 GLY H . . 7.000 5.929 5.734 6.557 . 0 0 "[ . 1 . 2 ]" 2
69 1 44 LEU QD 1 47 PHE QD . . 7.230 3.519 3.281 3.814 . 0 0 "[ . 1 . 2 ]" 2
70 1 44 LEU QD 1 47 PHE QE . . 8.440 2.166 1.745 2.608 0.055 21 0 "[ . 1 . 2 ]" 2
71 1 44 LEU HG 1 47 PHE QD . . 7.310 5.365 4.460 6.008 . 0 0 "[ . 1 . 2 ]" 2
72 1 44 LEU QB 1 47 PHE QD . . 8.190 3.066 2.014 3.600 . 0 0 "[ . 1 . 2 ]" 2
73 1 44 LEU QD 1 48 LEU QD . . 8.120 1.995 1.668 2.986 0.132 15 0 "[ . 1 . 2 ]" 2
74 1 44 LEU QD 1 48 LEU HA . . 5.810 3.982 3.657 4.133 . 0 0 "[ . 1 . 2 ]" 2
75 1 44 LEU QD 1 48 LEU H . . 5.810 3.511 2.858 3.745 . 0 0 "[ . 1 . 2 ]" 2
76 1 44 LEU QB 1 48 LEU HG . . 5.760 3.853 3.545 4.711 . 0 0 "[ . 1 . 2 ]" 2
77 1 44 LEU QB 1 48 LEU QD . . 9.190 3.470 3.245 4.031 . 0 0 "[ . 1 . 2 ]" 2
78 1 45 THR MG 1 47 PHE HA . . 6.030 4.770 4.212 4.876 . 0 0 "[ . 1 . 2 ]" 2
79 1 45 THR MG 1 47 PHE QE . . 7.160 2.227 1.824 2.668 . 0 0 "[ . 1 . 2 ]" 2
80 1 45 THR MG 1 47 PHE QD . . 7.160 1.784 1.561 2.079 0.239 15 0 "[ . 1 . 2 ]" 2
81 1 48 LEU QD 1 50 ILE MG . . 8.400 4.262 1.919 5.143 . 0 0 "[ . 1 . 2 ]" 2
82 1 48 LEU QD 1 50 ILE HB . . 7.310 5.092 4.047 5.435 . 0 0 "[ . 1 . 2 ]" 2
83 1 48 LEU QD 1 50 ILE QG . . 8.340 3.467 2.486 4.948 . 0 0 "[ . 1 . 2 ]" 2
84 1 51 LYS QG 1 53 VAL QG . . 8.190 3.175 2.177 5.209 . 0 0 "[ . 1 . 2 ]" 2
85 1 51 LYS QE 1 53 VAL QG . . 6.690 2.183 1.809 3.822 . 0 0 "[ . 1 . 2 ]" 2
86 1 61 PHE QE 1 64 GLN HA . . 5.630 3.986 3.335 4.921 . 0 0 "[ . 1 . 2 ]" 2
87 1 61 PHE QD 1 64 GLN HA . . 6.000 4.602 2.631 5.857 . 0 0 "[ . 1 . 2 ]" 2
88 1 61 PHE QD 1 64 GLN QG . . 7.010 4.248 2.335 5.614 . 0 0 "[ . 1 . 2 ]" 2
89 1 61 PHE QE 1 64 GLN QG . . 7.010 3.685 1.873 4.633 . 0 0 "[ . 1 . 2 ]" 2
90 1 61 PHE QD 1 64 GLN QB . . 7.010 3.046 1.921 4.814 . 0 0 "[ . 1 . 2 ]" 2
91 1 61 PHE QE 1 64 GLN QB . . 7.010 2.652 1.526 5.854 0.274 22 0 "[ . 1 . 2 ]" 2
92 1 64 GLN HA 1 66 GLN QE . . 4.880 4.258 3.726 4.573 . 0 0 "[ . 1 . 2 ]" 2
93 1 85 LEU HA 1 88 ALA MB . . 3.830 2.403 1.933 3.042 . 0 0 "[ . 1 . 2 ]" 2
94 1 86 LYS QG 1 89 ALA MB . . 7.200 3.308 2.890 3.950 . 0 0 "[ . 1 . 2 ]" 2
95 1 88 ALA MB 1 89 ALA MB . . 6.760 3.707 3.578 3.868 . 0 0 "[ . 1 . 2 ]" 2
96 1 90 GLU H 1 93 LYS H . . 6.000 5.521 4.924 6.057 0.057 17 0 "[ . 1 . 2 ]" 2
97 1 89 ALA MB 1 92 LEU HG . . 5.200 4.085 3.462 4.476 . 0 0 "[ . 1 . 2 ]" 2
98 1 95 GLU QG 1 99 LYS QE . . 6.760 4.261 3.147 5.120 . 0 0 "[ . 1 . 2 ]" 2
99 1 93 LYS QB 1 97 PHE H . . 5.000 4.064 3.319 4.690 . 0 0 "[ . 1 . 2 ]" 2
100 1 94 TYR HA 1 97 PHE H . . 5.000 3.338 2.894 3.764 . 0 0 "[ . 1 . 2 ]" 2
101 1 94 TYR HA 1 97 PHE QB . . 5.880 3.279 1.866 5.626 . 0 0 "[ . 1 . 2 ]" 2
102 1 94 TYR QD 1 98 ALA MB . . 5.960 4.019 3.407 4.824 . 0 0 "[ . 1 . 2 ]" 2
103 1 94 TYR QE 1 98 ALA MB . . 5.960 3.646 2.396 4.548 . 0 0 "[ . 1 . 2 ]" 2
104 1 95 GLU HA 1 98 ALA MB . . 5.030 2.330 1.738 3.359 0.062 8 0 "[ . 1 . 2 ]" 2
105 1 1 MET ME 1 6 LEU HG . . 6.840 2.053 1.795 2.473 0.005 7 0 "[ . 1 . 2 ]" 2
106 1 1 MET ME 1 6 LEU HA . . 4.700 2.100 1.783 2.474 0.017 4 0 "[ . 1 . 2 ]" 2
107 1 1 MET ME 1 6 LEU H . . 4.530 3.570 3.451 3.720 . 0 0 "[ . 1 . 2 ]" 2
108 1 1 MET ME 1 6 LEU QD . . 6.840 1.803 1.684 2.030 0.116 16 0 "[ . 1 . 2 ]" 2
109 1 3 LYS QE 1 34 GLU QG . . 8.200 6.767 6.629 7.891 . 0 0 "[ . 1 . 2 ]" 2
110 1 7 ILE HA 1 21 VAL QG . . 5.810 3.643 3.272 4.183 . 0 0 "[ . 1 . 2 ]" 2
111 1 7 ILE MG 1 21 VAL HB . . 4.710 3.079 1.538 3.950 0.262 9 0 "[ . 1 . 2 ]" 2
112 1 7 ILE H 1 25 LEU H . . 8.000 6.586 6.178 7.275 . 0 0 "[ . 1 . 2 ]" 2
113 1 11 ALA MB 1 18 GLN QB . . 5.410 3.400 3.099 3.626 . 0 0 "[ . 1 . 2 ]" 2
114 1 11 ALA MB 1 18 GLN HA . . 4.380 3.322 2.876 3.553 . 0 0 "[ . 1 . 2 ]" 2
115 1 19 VAL QG 1 24 MET ME . . 7.340 3.419 3.112 3.738 . 0 0 "[ . 1 . 2 ]" 2
116 1 19 VAL QG 1 23 LYS QE . . 7.190 4.438 3.837 4.636 . 0 0 "[ . 1 . 2 ]" 2
117 1 25 LEU QD 1 29 GLU H . . 7.310 4.353 3.400 4.890 . 0 0 "[ . 1 . 2 ]" 2
118 1 35 THR MG 1 40 ASP HA . . 6.200 3.480 1.737 3.789 0.063 20 0 "[ . 1 . 2 ]" 2
119 1 35 THR MG 1 40 ASP QB . . 6.200 1.679 1.616 2.229 0.184 15 0 "[ . 1 . 2 ]" 2
120 1 35 THR MG 1 41 LYS HA . . 6.530 4.170 3.602 5.309 . 0 0 "[ . 1 . 2 ]" 2
121 1 36 VAL QG 1 52 PRO HA . . 7.400 3.216 2.419 4.808 . 0 0 "[ . 1 . 2 ]" 2
122 1 35 THR HA 1 40 ASP QB . . 5.880 3.375 2.893 3.781 . 0 0 "[ . 1 . 2 ]" 2
123 1 35 THR HB 1 40 ASP QB . . 5.880 3.934 2.268 4.211 . 0 0 "[ . 1 . 2 ]" 2
124 1 41 LYS HA 1 51 LYS HA . . 2.800 2.506 1.912 2.900 0.100 19 0 "[ . 1 . 2 ]" 2
125 1 41 LYS QG 1 51 LYS QE . . 6.760 4.210 2.678 5.337 . 0 0 "[ . 1 . 2 ]" 2
126 1 42 VAL H 1 51 LYS HA . . 4.000 4.015 3.561 4.146 0.146 3 0 "[ . 1 . 2 ]" 2
127 1 43 GLN HA 1 50 ILE H . . 3.500 2.902 2.124 3.545 0.045 9 0 "[ . 1 . 2 ]" 2
128 1 43 GLN QB 1 49 ASN HA . . 4.880 2.981 1.943 4.150 . 0 0 "[ . 1 . 2 ]" 2
129 1 44 LEU QD 1 49 ASN HA . . 8.310 4.940 3.543 5.321 . 0 0 "[ . 1 . 2 ]" 2
130 1 48 LEU QD 1 79 VAL HB . . 6.310 4.342 2.782 4.755 . 0 0 "[ . 1 . 2 ]" 2
131 1 48 LEU QD 1 79 VAL HA . . 7.310 4.476 3.799 5.133 . 0 0 "[ . 1 . 2 ]" 2
132 1 48 LEU QD 1 81 PRO HA . . 5.810 2.629 1.900 4.518 . 0 0 "[ . 1 . 2 ]" 2
133 1 48 LEU QD 1 81 PRO QD . . 7.190 3.888 3.143 4.229 . 0 0 "[ . 1 . 2 ]" 2
134 1 48 LEU HG 1 81 PRO QD . . 7.000 6.414 6.043 6.581 . 0 0 "[ . 1 . 2 ]" 2
135 1 48 LEU HA 1 82 GLY H . . 5.000 3.905 3.395 4.433 . 0 0 "[ . 1 . 2 ]" 2
136 1 44 LEU H 1 48 LEU H . . 3.500 3.308 2.703 3.666 0.166 23 0 "[ . 1 . 2 ]" 2
137 1 49 ASN QB 1 80 LYS QB . . 5.760 3.733 2.005 4.864 . 0 0 "[ . 1 . 2 ]" 2
138 1 49 ASN QB 1 80 LYS QG . . 5.760 3.318 1.853 4.751 . 0 0 "[ . 1 . 2 ]" 2
139 1 49 ASN QB 1 79 VAL QG . . 7.190 4.105 2.745 4.823 . 0 0 "[ . 1 . 2 ]" 2
140 1 49 ASN H 1 80 LYS H . . 6.000 2.834 2.180 3.767 . 0 0 "[ . 1 . 2 ]" 2
141 1 44 LEU H 1 49 ASN HA . . 3.500 3.279 2.698 3.557 0.057 9 0 "[ . 1 . 2 ]" 2
142 1 43 GLN HA 1 49 ASN HA . . 2.800 2.176 1.856 2.821 0.021 5 0 "[ . 1 . 2 ]" 2
143 1 49 ASN H 1 79 VAL HA . . 6.000 4.160 3.257 4.725 . 0 0 "[ . 1 . 2 ]" 2
144 1 49 ASN H 1 82 GLY H . . 5.000 5.066 4.693 5.301 0.301 17 0 "[ . 1 . 2 ]" 2
145 1 50 ILE HA 1 80 LYS H . . 5.000 4.078 3.332 4.797 . 0 0 "[ . 1 . 2 ]" 2
146 1 51 LYS QD 1 78 SER QB . . 5.760 3.019 1.793 4.245 0.007 22 0 "[ . 1 . 2 ]" 2
147 1 51 LYS H 1 78 SER H . . 5.000 3.509 3.065 4.325 . 0 0 "[ . 1 . 2 ]" 2
148 1 51 LYS H 1 79 VAL H . . 4.000 3.900 2.307 4.300 0.300 14 0 "[ . 1 . 2 ]" 2
149 1 52 PRO QB 1 75 VAL QG . . 7.190 1.958 1.595 3.027 0.205 8 0 "[ . 1 . 2 ]" 2
150 1 52 PRO HA 1 78 SER H . . 2.800 2.706 2.211 3.007 0.207 22 0 "[ . 1 . 2 ]" 2
151 1 41 LYS HA 1 52 PRO QD . . 5.880 2.775 2.347 3.447 . 0 0 "[ . 1 . 2 ]" 2
152 1 53 VAL QG 1 78 SER H . . 5.810 2.771 1.919 3.021 . 0 0 "[ . 1 . 2 ]" 2
153 1 53 VAL QG 1 78 SER QB . . 6.690 2.592 1.988 3.285 . 0 0 "[ . 1 . 2 ]" 2
154 1 54 ALA MB 1 75 VAL QG . . 8.340 2.693 1.792 3.843 0.008 3 0 "[ . 1 . 2 ]" 2
155 1 55 ARG QD 1 76 GLY QA . . 7.000 4.328 2.871 5.504 . 0 0 "[ . 1 . 2 ]" 2
156 1 57 ALA MB 1 73 PRO QD . . 5.000 2.816 1.740 3.705 0.060 7 0 "[ . 1 . 2 ]" 2
157 1 57 ALA MB 1 72 ALA HA . . 4.530 3.589 2.137 3.908 . 0 0 "[ . 1 . 2 ]" 2
158 1 60 GLY H 1 69 LEU H . . 5.000 3.936 2.574 5.140 0.140 11 0 "[ . 1 . 2 ]" 2
159 1 61 PHE QD 1 66 GLN HA . . 6.000 4.678 2.247 5.901 . 0 0 "[ . 1 . 2 ]" 2
160 1 61 PHE QE 1 66 GLN HA . . 5.630 4.366 2.796 5.575 . 0 0 "[ . 1 . 2 ]" 2
161 1 61 PHE HA 1 68 ALA HA . . 2.800 2.795 1.860 4.868 2.068 11 3 "[-* . 1+ . 2 ]" 2
162 1 61 PHE HA 1 69 LEU H . . 3.500 3.389 2.501 3.981 0.481 9 0 "[ . 1 . 2 ]" 2
163 1 61 PHE HA 1 69 LEU QD . . 7.310 3.642 1.867 5.598 . 0 0 "[ . 1 . 2 ]" 2
164 1 61 PHE HA 1 68 ALA MB . . 4.530 3.373 1.783 4.015 0.017 6 0 "[ . 1 . 2 ]" 2
165 1 62 ASN QB 1 67 GLU H . . 5.000 4.009 1.800 4.930 . 0 0 "[ . 1 . 2 ]" 2
166 1 61 PHE QD 1 68 ALA HA . . 4.930 3.835 1.860 4.811 . 0 0 "[ . 1 . 2 ]" 2
167 1 61 PHE QE 1 68 ALA HA . . 7.130 5.436 3.084 6.498 . 0 0 "[ . 1 . 2 ]" 2
168 1 61 PHE QD 1 68 ALA MB . . 6.630 3.945 1.891 5.468 . 0 0 "[ . 1 . 2 ]" 2
169 1 61 PHE QE 1 68 ALA MB . . 8.000 5.153 2.312 6.515 . 0 0 "[ . 1 . 2 ]" 2
170 1 62 ASN HA 1 69 LEU QD . . 6.400 4.238 2.614 4.770 . 0 0 "[ . 1 . 2 ]" 2
171 1 62 ASN QB 1 69 LEU QD . . 6.900 3.540 1.807 4.854 . 0 0 "[ . 1 . 2 ]" 2
172 1 58 ARG QD 1 71 ILE MD . . 5.910 3.558 2.031 4.439 . 0 0 "[ . 1 . 2 ]" 2
173 1 58 ARG QD 1 71 ILE MG . . 5.910 3.709 2.021 4.490 . 0 0 "[ . 1 . 2 ]" 2
174 1 58 ARG QB 1 71 ILE MD . . 5.910 3.257 1.679 4.469 0.121 13 0 "[ . 1 . 2 ]" 2
175 1 58 ARG QB 1 71 ILE MG . . 5.910 3.340 1.638 4.382 0.162 22 0 "[ . 1 . 2 ]" 2
176 1 55 ARG H 1 74 SER H . . 4.000 4.010 2.673 4.296 0.296 14 0 "[ . 1 . 2 ]" 2
177 1 52 PRO HA 1 75 VAL QG . . 7.310 2.757 2.070 4.029 . 0 0 "[ . 1 . 2 ]" 2
178 1 53 VAL H 1 75 VAL QG . . 5.110 2.218 1.669 3.404 0.131 6 0 "[ . 1 . 2 ]" 2
179 1 54 ALA HA 1 75 VAL QG . . 5.810 2.327 1.816 3.512 . 0 0 "[ . 1 . 2 ]" 2
180 1 52 PRO HA 1 76 GLY H . . 5.000 3.832 3.517 4.264 . 0 0 "[ . 1 . 2 ]" 2
181 1 75 VAL QG 1 76 GLY QA . . 8.190 3.114 3.009 3.266 . 0 0 "[ . 1 . 2 ]" 2
182 1 76 GLY H 1 78 SER H . . 5.000 4.958 4.677 5.092 0.092 19 0 "[ . 1 . 2 ]" 2
183 1 55 ARG H 1 76 GLY H . . 6.000 4.122 3.410 5.228 . 0 0 "[ . 1 . 2 ]" 2
184 1 54 ALA HA 1 76 GLY H . . 3.500 3.348 2.683 3.565 0.065 10 0 "[ . 1 . 2 ]" 2
185 1 53 VAL HA 1 76 GLY H . . 3.500 3.751 3.658 3.896 0.396 6 0 "[ . 1 . 2 ]" 2
186 1 53 VAL H 1 77 VAL HA . . 3.500 3.508 2.970 3.636 0.136 8 0 "[ . 1 . 2 ]" 2
187 1 52 PRO HA 1 77 VAL HA . . 2.800 1.870 1.637 2.675 0.163 2 0 "[ . 1 . 2 ]" 2
188 1 52 PRO HA 1 77 VAL QG . . 5.810 3.443 2.927 3.716 . 0 0 "[ . 1 . 2 ]" 2
189 1 48 LEU QD 1 79 VAL QG . . 8.620 2.276 1.705 3.745 0.095 20 0 "[ . 1 . 2 ]" 2
190 1 51 LYS H 1 79 VAL HA . . 4.000 3.365 2.868 4.109 0.109 6 0 "[ . 1 . 2 ]" 2
191 1 47 PHE HA 1 82 GLY QA . . 6.880 2.101 1.616 3.396 0.184 11 0 "[ . 1 . 2 ]" 2
192 1 47 PHE HA 1 82 GLY H . . 5.000 2.445 1.803 4.185 . 0 0 "[ . 1 . 2 ]" 2
193 1 48 LEU QD 1 82 GLY H . . 5.810 3.507 1.982 3.944 . 0 0 "[ . 1 . 2 ]" 2
194 1 85 LEU QD 2 77 VAL H . . 8.400 4.831 3.658 6.138 . 0 0 "[ . 1 . 2 ]" 2
195 1 47 PHE HA 1 85 LEU QD . . 8.400 3.779 2.380 6.039 . 0 0 "[ . 1 . 2 ]" 2
196 1 47 PHE QD 1 85 LEU QD . . 7.940 2.209 1.665 3.501 0.135 12 0 "[ . 1 . 2 ]" 2
197 1 47 PHE QE 1 85 LEU QD . . 8.600 2.978 1.901 4.464 . 0 0 "[ . 1 . 2 ]" 2
198 1 47 PHE HZ 1 85 LEU QD . . 8.440 4.415 3.730 5.566 . 0 0 "[ . 1 . 2 ]" 2
199 1 48 LEU QD 1 85 LEU QD . . 10.620 3.099 2.443 4.372 . 0 0 "[ . 1 . 2 ]" 2
200 1 94 TYR QE 1 98 ALA HA . . 7.000 5.389 3.883 6.801 . 0 0 "[ . 1 . 2 ]" 2
201 1 94 TYR QD 1 98 ALA HA . . 7.630 5.807 4.512 7.195 . 0 0 "[ . 1 . 2 ]" 2
202 1 1 MET QG 1 6 LEU HG . . 3.800 3.023 2.404 3.233 . 0 0 "[ . 1 . 2 ]" 2
203 1 1 MET QG 1 6 LEU QD . . 7.400 3.462 2.046 3.743 . 0 0 "[ . 1 . 2 ]" 2
204 1 1 MET QG 1 2 ASN H . . 3.800 3.089 2.651 3.439 . 0 0 "[ . 1 . 2 ]" 2
205 1 1 MET QB 1 2 ASN H . . 3.800 2.349 1.955 3.126 . 0 0 "[ . 1 . 2 ]" 2
206 1 1 MET QG 1 6 LEU H . . 5.000 3.389 2.880 4.308 . 0 0 "[ . 1 . 2 ]" 2
207 1 1 MET HA 1 1 MET QG . . 3.800 2.235 2.020 3.310 . 0 0 "[ . 1 . 2 ]" 2
208 1 1 MET QB 1 2 ASN HA . . 4.500 3.839 3.753 3.934 . 0 0 "[ . 1 . 2 ]" 2
209 1 2 ASN H 1 5 GLU QB . . 3.800 1.756 1.566 1.835 0.234 15 0 "[ . 1 . 2 ]" 2
210 1 2 ASN HA 1 4 THR H . . 4.000 4.096 4.040 4.154 0.154 19 0 "[ . 1 . 2 ]" 2
211 1 4 THR HA 1 7 ILE MG . . 3.800 2.335 1.781 3.306 0.019 18 0 "[ . 1 . 2 ]" 2
212 1 4 THR H 1 5 GLU QG . . 7.000 4.806 3.851 5.746 . 0 0 "[ . 1 . 2 ]" 2
213 1 4 THR HB 1 5 GLU QB . . 5.000 4.098 3.693 4.424 . 0 0 "[ . 1 . 2 ]" 2
214 1 4 THR MG 1 7 ILE MG . . 6.000 3.315 2.704 3.556 . 0 0 "[ . 1 . 2 ]" 2
215 1 1 MET QB 1 5 GLU H . . 6.000 4.785 3.837 5.317 . 0 0 "[ . 1 . 2 ]" 2
216 1 5 GLU QB 1 8 LYS H . . 6.000 4.896 4.590 5.204 . 0 0 "[ . 1 . 2 ]" 2
217 1 5 GLU QG 1 6 LEU H . . 5.000 4.129 3.816 4.364 . 0 0 "[ . 1 . 2 ]" 2
218 1 5 GLU QB 1 7 ILE H . . 6.000 4.498 4.247 4.757 . 0 0 "[ . 1 . 2 ]" 2
219 1 6 LEU H 1 6 LEU QD . . 5.200 3.031 2.688 3.339 . 0 0 "[ . 1 . 2 ]" 2
220 1 1 MET QB 1 6 LEU H . . 7.000 3.298 2.663 4.499 . 0 0 "[ . 1 . 2 ]" 2
221 1 1 MET QB 1 6 LEU QD . . 8.400 2.708 2.069 3.594 . 0 0 "[ . 1 . 2 ]" 2
222 1 6 LEU QD 1 9 ALA MB . . 9.400 2.620 2.155 3.031 . 0 0 "[ . 1 . 2 ]" 2
223 1 6 LEU H 1 6 LEU HG . . 2.800 2.601 2.241 2.825 0.025 2 0 "[ . 1 . 2 ]" 2
224 1 6 LEU H 1 6 LEU QB . . 3.800 2.181 2.066 2.312 . 0 0 "[ . 1 . 2 ]" 2
225 1 2 ASN HA 1 6 LEU H . . 4.000 4.202 4.120 4.275 0.275 13 0 "[ . 1 . 2 ]" 2
226 1 6 LEU QB 1 7 ILE HA . . 4.500 3.966 3.918 4.010 . 0 0 "[ . 1 . 2 ]" 2
227 1 6 LEU QB 1 7 ILE H . . 7.000 2.725 2.475 2.833 . 0 0 "[ . 1 . 2 ]" 2
228 1 7 ILE MG 1 24 MET ME . . 5.500 3.545 2.813 3.918 . 0 0 "[ . 1 . 2 ]" 2
229 1 7 ILE HA 1 7 ILE MD . . 4.500 3.558 3.275 4.012 . 0 0 "[ . 1 . 2 ]" 2
230 1 7 ILE H 1 7 ILE QG . . 3.800 2.769 2.282 3.465 . 0 0 "[ . 1 . 2 ]" 2
231 1 7 ILE MD 1 21 VAL HB . . 3.800 2.378 1.811 3.021 . 0 0 "[ . 1 . 2 ]" 2
232 1 7 ILE MD 1 22 SER HA . . 5.000 2.934 1.773 4.064 0.027 9 0 "[ . 1 . 2 ]" 2
233 1 8 LYS H 1 8 LYS QB . . 3.800 2.239 1.900 2.655 . 0 0 "[ . 1 . 2 ]" 2
234 1 8 LYS QB 1 10 ILE H . . 7.000 4.819 4.482 5.106 . 0 0 "[ . 1 . 2 ]" 2
235 1 8 LYS HA 1 11 ALA H . . 2.800 2.911 2.877 2.978 0.178 6 0 "[ . 1 . 2 ]" 2
236 1 8 LYS HA 1 11 ALA MB . . 3.800 1.715 1.555 1.800 0.245 22 0 "[ . 1 . 2 ]" 2
237 1 8 LYS H 1 8 LYS QG . . 3.800 2.547 1.719 3.384 0.081 3 0 "[ . 1 . 2 ]" 2
238 1 9 ALA HA 1 12 GLN QB . . 7.000 3.510 2.872 4.064 . 0 0 "[ . 1 . 2 ]" 2
239 1 9 ALA H 1 12 GLN QB . . 6.000 4.938 4.512 5.195 . 0 0 "[ . 1 . 2 ]" 2
240 1 6 LEU HA 1 9 ALA H . . 2.800 2.926 2.859 2.995 0.195 1 0 "[ . 1 . 2 ]" 2
241 1 9 ALA MB 1 11 ALA H . . 5.000 4.218 4.175 4.285 . 0 0 "[ . 1 . 2 ]" 2
242 1 9 ALA HA 1 13 ASP H . . 6.000 3.840 3.638 4.206 . 0 0 "[ . 1 . 2 ]" 2
243 1 10 ILE H 1 10 ILE HB . . 2.800 2.058 2.017 2.146 . 0 0 "[ . 1 . 2 ]" 2
244 1 9 ALA HA 1 10 ILE H . . 4.000 3.564 3.530 3.583 . 0 0 "[ . 1 . 2 ]" 2
245 1 7 ILE HA 1 10 ILE H . . 4.000 3.472 3.194 3.744 . 0 0 "[ . 1 . 2 ]" 2
246 1 10 ILE MG 1 11 ALA H . . 3.800 2.740 2.124 3.034 . 0 0 "[ . 1 . 2 ]" 2
247 1 10 ILE H 1 11 ALA MB . . 4.500 3.673 3.578 3.751 . 0 0 "[ . 1 . 2 ]" 2
248 1 11 ALA HA 1 14 THR H . . 6.000 4.132 3.602 4.366 . 0 0 "[ . 1 . 2 ]" 2
249 1 11 ALA HA 1 15 GLY H . . 2.800 2.627 2.343 2.960 0.160 1 0 "[ . 1 . 2 ]" 2
250 1 11 ALA HA 1 16 LEU H . . 5.000 4.769 4.481 5.077 0.077 20 0 "[ . 1 . 2 ]" 2
251 1 11 ALA MB 1 18 GLN QG . . 6.000 3.457 3.193 3.824 . 0 0 "[ . 1 . 2 ]" 2
252 1 11 ALA HA 1 14 THR HA . . 6.000 5.889 5.352 6.090 0.090 12 0 "[ . 1 . 2 ]" 2
253 1 7 ILE HA 1 11 ALA H . . 4.000 3.898 3.778 4.047 0.047 15 0 "[ . 1 . 2 ]" 2
254 1 12 GLN QB 1 13 ASP HA . . 7.000 4.396 3.989 4.808 . 0 0 "[ . 1 . 2 ]" 2
255 1 10 ILE HB 1 12 GLN H . . 5.000 4.854 4.735 5.062 0.062 20 0 "[ . 1 . 2 ]" 2
256 1 12 GLN H 1 13 ASP QB . . 5.000 3.888 3.802 4.076 . 0 0 "[ . 1 . 2 ]" 2
257 1 12 GLN HA 1 13 ASP H . . 3.500 3.586 3.559 3.599 0.099 8 0 "[ . 1 . 2 ]" 2
258 1 13 ASP QB 1 14 THR HA . . 5.000 4.106 4.034 4.242 . 0 0 "[ . 1 . 2 ]" 2
259 1 10 ILE HA 1 13 ASP H . . 2.800 2.990 2.912 3.069 0.269 19 0 "[ . 1 . 2 ]" 2
260 1 11 ALA MB 1 13 ASP H . . 7.000 4.761 4.561 4.836 . 0 0 "[ . 1 . 2 ]" 2
261 1 11 ALA MB 1 14 THR HB . . 6.000 5.104 5.051 5.198 . 0 0 "[ . 1 . 2 ]" 2
262 1 14 THR HA 1 15 GLY H . . 4.000 3.567 3.549 3.587 . 0 0 "[ . 1 . 2 ]" 2
263 1 14 THR HB 1 15 GLY H . . 2.800 2.041 1.771 2.692 0.029 11 0 "[ . 1 . 2 ]" 2
264 1 12 GLN HA 1 15 GLY H . . 5.000 4.103 3.748 4.647 . 0 0 "[ . 1 . 2 ]" 2
265 1 15 GLY H 1 16 LEU HG . . 5.000 4.657 3.753 5.260 0.260 21 0 "[ . 1 . 2 ]" 2
266 1 15 GLY QA 1 16 LEU H . . 7.000 2.866 2.788 2.927 . 0 0 "[ . 1 . 2 ]" 2
267 1 16 LEU H 1 16 LEU HG . . 2.800 2.398 1.693 2.901 0.107 5 0 "[ . 1 . 2 ]" 2
268 1 14 THR MG 1 16 LEU H . . 5.000 3.471 3.030 4.190 . 0 0 "[ . 1 . 2 ]" 2
269 1 16 LEU HA 1 16 LEU HG . . 2.800 2.605 2.156 3.213 0.413 10 0 "[ . 1 . 2 ]" 2
270 1 12 GLN HA 1 16 LEU H . . 6.000 6.212 6.167 6.260 0.260 6 0 "[ . 1 . 2 ]" 2
271 1 16 LEU HA 1 17 THR MG . . 6.500 5.449 5.348 5.559 . 0 0 "[ . 1 . 2 ]" 2
272 1 17 THR H 1 17 THR HB . . 2.800 2.725 2.539 2.860 0.060 10 0 "[ . 1 . 2 ]" 2
273 1 18 GLN H 1 18 GLN QG . . 3.800 2.541 2.474 2.598 . 0 0 "[ . 1 . 2 ]" 2
274 1 17 THR H 1 18 GLN HA . . 4.000 4.037 3.915 4.105 0.105 11 0 "[ . 1 . 2 ]" 2
275 1 18 GLN HA 1 19 VAL QG . . 7.400 3.244 3.041 3.439 . 0 0 "[ . 1 . 2 ]" 2
276 1 19 VAL QG 1 22 SER H . . 6.400 4.557 4.416 4.685 . 0 0 "[ . 1 . 2 ]" 2
277 1 19 VAL HB 1 21 VAL H . . 5.000 4.828 4.669 4.953 . 0 0 "[ . 1 . 2 ]" 2
278 1 19 VAL QG 1 21 VAL H . . 6.400 2.101 1.888 2.305 . 0 0 "[ . 1 . 2 ]" 2
279 1 18 GLN QG 1 19 VAL H . . 4.500 4.143 4.106 4.187 . 0 0 "[ . 1 . 2 ]" 2
280 1 20 SER H 1 22 SER H . . 4.000 4.522 4.470 4.602 0.602 7 14 "[*** . + ** ***-*** *]" 2
281 1 20 SER HA 1 22 SER H . . 4.000 3.289 3.227 3.429 . 0 0 "[ . 1 . 2 ]" 2
282 1 18 GLN QG 1 21 VAL QG . . 8.400 3.476 3.088 3.765 . 0 0 "[ . 1 . 2 ]" 2
283 1 11 ALA MB 1 21 VAL HB . . 3.800 2.815 2.249 3.104 . 0 0 "[ . 1 . 2 ]" 2
284 1 21 VAL H 1 22 SER H . . 2.800 3.049 2.970 3.198 0.398 20 0 "[ . 1 . 2 ]" 2
285 1 21 VAL H 1 24 MET QG . . 5.000 3.065 2.671 4.392 . 0 0 "[ . 1 . 2 ]" 2
286 1 18 GLN HA 1 21 VAL H . . 4.000 3.798 3.617 3.943 . 0 0 "[ . 1 . 2 ]" 2
287 1 7 ILE MD 1 22 SER QB . . 6.000 3.222 2.371 3.830 . 0 0 "[ . 1 . 2 ]" 2
288 1 22 SER QB 1 25 LEU QB . . 7.000 5.198 4.923 5.511 . 0 0 "[ . 1 . 2 ]" 2
289 1 23 LYS H 1 23 LYS QE . . 6.000 3.805 2.789 5.129 . 0 0 "[ . 1 . 2 ]" 2
290 1 23 LYS QE 1 24 MET H . . 5.000 4.528 4.107 4.648 . 0 0 "[ . 1 . 2 ]" 2
291 1 23 LYS H 1 23 LYS QG . . 3.800 3.408 3.191 3.547 . 0 0 "[ . 1 . 2 ]" 2
292 1 23 LYS HA 1 24 MET H . . 3.500 3.594 3.514 3.641 0.141 16 0 "[ . 1 . 2 ]" 2
293 1 23 LYS QB 1 26 ALA H . . 6.000 4.990 4.669 5.368 . 0 0 "[ . 1 . 2 ]" 2
294 1 24 MET H 1 24 MET ME . . 3.800 3.090 3.004 3.262 . 0 0 "[ . 1 . 2 ]" 2
295 1 24 MET H 1 24 MET QG . . 3.800 1.805 1.436 3.845 0.364 19 0 "[ . 1 . 2 ]" 2
296 1 24 MET QB 1 25 LEU H . . 3.800 3.135 2.434 3.426 . 0 0 "[ . 1 . 2 ]" 2
297 1 10 ILE QG 1 24 MET QB . . 7.000 5.308 5.164 5.498 . 0 0 "[ . 1 . 2 ]" 2
298 1 23 LYS QG 1 24 MET H . . 5.000 4.405 2.973 4.582 . 0 0 "[ . 1 . 2 ]" 2
299 1 25 LEU HA 1 29 GLU QB . . 6.000 5.030 4.615 5.373 . 0 0 "[ . 1 . 2 ]" 2
300 1 24 MET HA 1 25 LEU HA . . 6.000 4.696 4.638 4.744 . 0 0 "[ . 1 . 2 ]" 2
301 1 25 LEU H 1 25 LEU HG . . 2.800 2.886 2.367 3.069 0.269 11 0 "[ . 1 . 2 ]" 2
302 1 25 LEU HA 1 27 SER H . . 4.000 4.028 3.765 4.138 0.138 12 0 "[ . 1 . 2 ]" 2
303 1 26 ALA HA 1 29 GLU H . . 6.000 3.799 3.334 4.121 . 0 0 "[ . 1 . 2 ]" 2
304 1 24 MET QB 1 26 ALA H . . 6.000 5.097 4.635 5.304 . 0 0 "[ . 1 . 2 ]" 2
305 1 26 ALA HA 1 27 SER H . . 6.000 3.512 3.459 3.550 . 0 0 "[ . 1 . 2 ]" 2
306 1 25 LEU QB 1 27 SER H . . 5.000 4.475 4.328 4.655 . 0 0 "[ . 1 . 2 ]" 2
307 1 27 SER H 1 28 PHE QB . . 7.000 3.856 3.763 3.988 . 0 0 "[ . 1 . 2 ]" 2
308 1 27 SER QB 1 28 PHE H . . 7.000 3.029 2.482 3.540 . 0 0 "[ . 1 . 2 ]" 2
309 1 26 ALA H 1 28 PHE H . . 4.000 3.853 3.691 4.004 0.004 16 0 "[ . 1 . 2 ]" 2
310 1 28 PHE QE 1 29 GLU H . . 7.000 4.459 4.012 4.984 . 0 0 "[ . 1 . 2 ]" 2
311 1 28 PHE QD 1 32 ILE MG . . 8.000 4.517 4.352 4.622 . 0 0 "[ . 1 . 2 ]" 2
312 1 28 PHE QD 1 29 GLU QB . . 5.800 2.880 2.308 3.474 . 0 0 "[ . 1 . 2 ]" 2
313 1 29 GLU QG 1 32 ILE HB . . 3.800 3.425 3.121 3.655 . 0 0 "[ . 1 . 2 ]" 2
314 1 29 GLU H 1 29 GLU QG . . 4.500 3.419 2.723 3.948 . 0 0 "[ . 1 . 2 ]" 2
315 1 29 GLU H 1 29 GLU QB . . 3.800 2.094 1.910 2.287 . 0 0 "[ . 1 . 2 ]" 2
316 1 29 GLU HA 1 31 ILE H . . 4.000 3.791 3.645 3.983 . 0 0 "[ . 1 . 2 ]" 2
317 1 28 PHE H 1 29 GLU QB . . 6.000 4.424 4.197 4.712 . 0 0 "[ . 1 . 2 ]" 2
318 1 29 GLU QG 1 30 LYS H . . 4.500 4.122 3.839 4.294 . 0 0 "[ . 1 . 2 ]" 2
319 1 30 LYS QG 1 34 GLU QG . . 7.000 2.383 1.853 4.456 . 0 0 "[ . 1 . 2 ]" 2
320 1 30 LYS H 1 30 LYS QG . . 5.000 3.912 3.860 3.967 . 0 0 "[ . 1 . 2 ]" 2
321 1 30 LYS H 1 31 ILE H . . 2.800 2.550 2.271 2.688 . 0 0 "[ . 1 . 2 ]" 2
322 1 30 LYS QG 1 34 GLU H . . 5.000 4.549 4.480 4.590 . 0 0 "[ . 1 . 2 ]" 2
323 1 30 LYS QG 1 34 GLU QB . . 7.000 3.429 3.065 3.975 . 0 0 "[ . 1 . 2 ]" 2
324 1 29 GLU QB 1 30 LYS H . . 3.800 2.574 2.387 2.831 . 0 0 "[ . 1 . 2 ]" 2
325 1 27 SER QB 1 30 LYS QB . . 8.000 3.330 2.748 3.729 . 0 0 "[ . 1 . 2 ]" 2
326 1 28 PHE HA 1 31 ILE H . . 3.500 3.276 3.176 3.342 . 0 0 "[ . 1 . 2 ]" 2
327 1 30 LYS H 1 31 ILE HB . . 6.000 6.093 5.809 6.224 0.224 10 0 "[ . 1 . 2 ]" 2
328 1 31 ILE H 1 31 ILE QG . . 3.800 1.699 1.545 1.963 0.255 21 0 "[ . 1 . 2 ]" 2
329 1 31 ILE HA 1 34 GLU H . . 3.500 3.268 2.885 3.466 . 0 0 "[ . 1 . 2 ]" 2
330 1 32 ILE H 1 34 GLU QB . . 5.000 4.249 4.187 4.355 . 0 0 "[ . 1 . 2 ]" 2
331 1 28 PHE QE 1 32 ILE HB . . 6.000 4.285 3.912 4.579 . 0 0 "[ . 1 . 2 ]" 2
332 1 28 PHE QE 1 32 ILE QG . . 8.000 2.809 2.211 3.085 . 0 0 "[ . 1 . 2 ]" 2
333 1 29 GLU HA 1 32 ILE MG . . 5.000 3.550 3.308 3.838 . 0 0 "[ . 1 . 2 ]" 2
334 1 28 PHE QE 1 32 ILE MD . . 7.000 2.141 1.826 2.548 . 0 0 "[ . 1 . 2 ]" 2
335 1 28 PHE QE 1 32 ILE MG . . 5.800 3.617 3.325 3.800 . 0 0 "[ . 1 . 2 ]" 2
336 1 31 ILE MD 1 32 ILE H . . 3.800 2.813 2.498 3.058 . 0 0 "[ . 1 . 2 ]" 2
337 1 32 ILE HA 1 42 VAL QG . . 7.400 2.780 2.050 3.934 . 0 0 "[ . 1 . 2 ]" 2
338 1 32 ILE H 1 32 ILE HB . . 2.800 2.399 2.263 2.490 . 0 0 "[ . 1 . 2 ]" 2
339 1 32 ILE HB 1 33 THR HA . . 4.000 4.262 4.184 4.370 0.370 11 0 "[ . 1 . 2 ]" 2
340 1 31 ILE H 1 32 ILE HB . . 4.000 4.120 4.035 4.245 0.245 23 0 "[ . 1 . 2 ]" 2
341 1 32 ILE HA 1 33 THR H . . 6.000 3.530 3.470 3.555 . 0 0 "[ . 1 . 2 ]" 2
342 1 33 THR H 1 36 VAL QG . . 7.400 4.939 3.591 5.489 . 0 0 "[ . 1 . 2 ]" 2
343 1 33 THR HA 1 36 VAL QG . . 5.200 3.196 1.656 3.801 0.144 7 0 "[ . 1 . 2 ]" 2
344 1 31 ILE MG 1 34 GLU QB . . 4.800 3.435 3.336 3.500 . 0 0 "[ . 1 . 2 ]" 2
345 1 34 GLU HA 1 38 LYS QE . . 3.800 3.333 2.365 3.516 . 0 0 "[ . 1 . 2 ]" 2
346 1 32 ILE HA 1 35 THR H . . 3.500 3.626 3.504 3.805 0.305 19 0 "[ . 1 . 2 ]" 2
347 1 34 GLU QG 1 35 THR H . . 7.000 4.099 2.087 4.385 . 0 0 "[ . 1 . 2 ]" 2
348 1 35 THR MG 1 42 VAL QG . . 6.200 2.119 1.654 3.000 0.146 15 0 "[ . 1 . 2 ]" 2
349 1 35 THR MG 1 41 LYS H . . 5.000 4.011 2.969 4.310 . 0 0 "[ . 1 . 2 ]" 2
350 1 35 THR MG 1 39 GLY QA . . 6.000 4.480 4.320 4.697 . 0 0 "[ . 1 . 2 ]" 2
351 1 35 THR MG 1 40 ASP H . . 5.000 2.432 2.241 2.875 . 0 0 "[ . 1 . 2 ]" 2
352 1 35 THR MG 1 38 LYS QB . . 7.000 3.194 2.897 3.577 . 0 0 "[ . 1 . 2 ]" 2
353 1 35 THR HA 1 40 ASP H . . 4.000 4.031 3.895 4.113 0.113 23 0 "[ . 1 . 2 ]" 2
354 1 35 THR HA 1 38 LYS H . . 2.800 2.958 2.828 3.106 0.306 14 0 "[ . 1 . 2 ]" 2
355 1 36 VAL HB 1 52 PRO QD . . 6.000 4.501 2.387 5.110 . 0 0 "[ . 1 . 2 ]" 2
356 1 32 ILE MG 1 36 VAL QG . . 8.400 3.654 2.738 4.469 . 0 0 "[ . 1 . 2 ]" 2
357 1 32 ILE HA 1 36 VAL H . . 4.000 4.165 3.983 4.367 0.367 2 0 "[ . 1 . 2 ]" 2
358 1 36 VAL HA 1 40 ASP H . . 2.800 2.858 2.305 2.988 0.188 17 0 "[ . 1 . 2 ]" 2
359 1 36 VAL QG 1 38 LYS H . . 5.200 3.989 3.630 4.218 . 0 0 "[ . 1 . 2 ]" 2
360 1 36 VAL QG 1 37 ALA HA . . 6.400 3.254 2.893 3.613 . 0 0 "[ . 1 . 2 ]" 2
361 1 33 THR MG 1 37 ALA H . . 6.000 4.555 4.283 5.006 . 0 0 "[ . 1 . 2 ]" 2
362 1 37 ALA HA 1 38 LYS H . . 3.500 3.352 3.183 3.531 0.031 7 0 "[ . 1 . 2 ]" 2
363 1 35 THR HB 1 38 LYS QB . . 6.000 4.517 4.303 4.804 . 0 0 "[ . 1 . 2 ]" 2
364 1 35 THR HA 1 38 LYS QG . . 6.000 3.612 2.422 4.191 . 0 0 "[ . 1 . 2 ]" 2
365 1 36 VAL H 1 38 LYS QB . . 7.000 4.491 4.327 4.718 . 0 0 "[ . 1 . 2 ]" 2
366 1 36 VAL HA 1 39 GLY H . . 4.000 3.385 3.102 3.923 . 0 0 "[ . 1 . 2 ]" 2
367 1 38 LYS QB 1 40 ASP H . . 6.000 3.633 3.160 4.065 . 0 0 "[ . 1 . 2 ]" 2
368 1 41 LYS H 1 41 LYS QB . . 3.800 2.305 1.975 2.823 . 0 0 "[ . 1 . 2 ]" 2
369 1 41 LYS H 1 42 VAL H . . 4.000 3.943 2.442 4.267 0.267 10 0 "[ . 1 . 2 ]" 2
370 1 41 LYS HA 1 51 LYS QB . . 5.000 3.426 2.006 4.407 . 0 0 "[ . 1 . 2 ]" 2
371 1 40 ASP H 1 41 LYS QG . . 7.000 5.201 4.399 6.229 . 0 0 "[ . 1 . 2 ]" 2
372 1 35 THR MG 1 42 VAL H . . 6.000 3.133 2.339 4.557 . 0 0 "[ . 1 . 2 ]" 2
373 1 41 LYS HA 1 42 VAL QG . . 7.400 3.745 3.254 4.489 . 0 0 "[ . 1 . 2 ]" 2
374 1 32 ILE MG 1 42 VAL QG . . 6.200 2.820 2.167 3.641 . 0 0 "[ . 1 . 2 ]" 2
375 1 41 LYS H 1 42 VAL QG . . 8.400 4.447 2.244 5.251 . 0 0 "[ . 1 . 2 ]" 2
376 1 43 GLN H 1 43 GLN QG . . 3.800 2.654 1.957 3.601 . 0 0 "[ . 1 . 2 ]" 2
377 1 43 GLN HA 1 43 GLN QG . . 3.800 2.787 2.408 3.313 . 0 0 "[ . 1 . 2 ]" 2
378 1 44 LEU QD 1 47 PHE H . . 6.400 4.606 4.164 4.787 . 0 0 "[ . 1 . 2 ]" 2
379 1 44 LEU H 1 44 LEU QB . . 3.800 2.372 2.002 2.650 . 0 0 "[ . 1 . 2 ]" 2
380 1 44 LEU H 1 44 LEU HG . . 2.800 2.500 1.819 2.834 0.034 2 0 "[ . 1 . 2 ]" 2
381 1 44 LEU QD 1 45 THR MG . . 7.400 3.296 2.621 3.702 . 0 0 "[ . 1 . 2 ]" 2
382 1 44 LEU H 1 44 LEU QD . . 5.200 3.132 2.679 3.459 . 0 0 "[ . 1 . 2 ]" 2
383 1 45 THR MG 1 47 PHE H . . 5.000 2.463 1.941 2.914 . 0 0 "[ . 1 . 2 ]" 2
384 1 45 THR MG 1 47 PHE HZ . . 5.000 4.047 3.428 4.334 . 0 0 "[ . 1 . 2 ]" 2
385 1 47 PHE QD 1 48 LEU QD . . 7.200 2.793 1.758 3.843 0.042 17 0 "[ . 1 . 2 ]" 2
386 1 47 PHE HA 1 48 LEU QD . . 6.400 4.490 3.791 4.987 . 0 0 "[ . 1 . 2 ]" 2
387 1 47 PHE HZ 1 48 LEU QD . . 7.400 3.458 2.342 4.683 . 0 0 "[ . 1 . 2 ]" 2
388 1 47 PHE QE 1 48 LEU QD . . 9.400 2.378 1.948 3.076 . 0 0 "[ . 1 . 2 ]" 2
389 1 47 PHE QB 1 85 LEU QB . . 8.000 3.342 1.818 5.229 . 0 0 "[ . 1 . 2 ]" 2
390 1 47 PHE HZ 1 48 LEU H . . 5.000 5.010 4.382 5.286 0.286 23 0 "[ . 1 . 2 ]" 2
391 1 47 PHE H 1 48 LEU QD . . 8.400 4.924 4.444 5.166 . 0 0 "[ . 1 . 2 ]" 2
392 1 47 PHE H 1 48 LEU H . . 2.800 2.084 1.883 2.661 . 0 0 "[ . 1 . 2 ]" 2
393 1 44 LEU HA 1 48 LEU H . . 5.000 4.662 4.328 5.024 0.024 9 0 "[ . 1 . 2 ]" 2
394 1 48 LEU QB 1 82 GLY QA . . 8.000 5.583 3.520 6.250 . 0 0 "[ . 1 . 2 ]" 2
395 1 48 LEU QD 1 80 LYS H . . 6.400 2.845 2.304 3.674 . 0 0 "[ . 1 . 2 ]" 2
396 1 48 LEU QB 1 49 ASN H . . 5.000 3.622 2.885 3.879 . 0 0 "[ . 1 . 2 ]" 2
397 1 49 ASN QB 1 80 LYS QD . . 4.800 3.323 2.195 3.968 . 0 0 "[ . 1 . 2 ]" 2
398 1 43 GLN QB 1 49 ASN QD . . 6.000 3.172 2.179 4.191 . 0 0 "[ . 1 . 2 ]" 2
399 1 49 ASN QB 1 80 LYS H . . 6.000 3.772 2.760 4.734 . 0 0 "[ . 1 . 2 ]" 2
400 1 49 ASN H 1 50 ILE H . . 4.000 3.883 3.320 4.197 0.197 7 0 "[ . 1 . 2 ]" 2
401 1 48 LEU QD 1 50 ILE H . . 8.400 4.271 3.074 4.817 . 0 0 "[ . 1 . 2 ]" 2
402 1 42 VAL H 1 50 ILE HB . . 4.000 3.692 2.513 4.280 0.280 10 0 "[ . 1 . 2 ]" 2
403 1 49 ASN HA 1 50 ILE QG . . 6.000 4.211 3.410 5.350 . 0 0 "[ . 1 . 2 ]" 2
404 1 51 LYS QE 1 78 SER QB . . 6.000 2.776 1.849 4.491 . 0 0 "[ . 1 . 2 ]" 2
405 1 41 LYS HA 1 51 LYS QG . . 6.000 4.999 2.882 5.441 . 0 0 "[ . 1 . 2 ]" 2
406 1 51 LYS H 1 79 VAL QG . . 6.400 3.513 1.941 4.717 . 0 0 "[ . 1 . 2 ]" 2
407 1 51 LYS H 1 51 LYS QG . . 3.800 2.516 2.044 3.619 . 0 0 "[ . 1 . 2 ]" 2
408 1 42 VAL H 1 51 LYS QB . . 6.000 4.918 3.994 5.346 . 0 0 "[ . 1 . 2 ]" 2
409 1 51 LYS H 1 51 LYS QD . . 5.000 4.305 3.719 4.590 . 0 0 "[ . 1 . 2 ]" 2
410 1 51 LYS H 1 77 VAL HA . . 4.000 4.165 4.029 4.293 0.293 8 0 "[ . 1 . 2 ]" 2
411 1 52 PRO QB 1 77 VAL QG . . 6.200 3.394 2.309 3.984 . 0 0 "[ . 1 . 2 ]" 2
412 1 52 PRO QG 1 75 VAL QG . . 7.400 3.326 2.698 4.356 . 0 0 "[ . 1 . 2 ]" 2
413 1 52 PRO QD 1 77 VAL QG . . 8.400 4.199 3.342 5.162 . 0 0 "[ . 1 . 2 ]" 2
414 1 36 VAL HA 1 52 PRO QG . . 3.800 2.161 1.802 2.845 . 0 0 "[ . 1 . 2 ]" 2
415 1 38 LYS H 1 52 PRO QB . . 7.000 5.763 4.928 6.335 . 0 0 "[ . 1 . 2 ]" 2
416 1 52 PRO QG 1 53 VAL H . . 5.000 4.525 4.427 4.598 . 0 0 "[ . 1 . 2 ]" 2
417 1 41 LYS QB 1 52 PRO QD . . 8.000 3.925 3.129 4.813 . 0 0 "[ . 1 . 2 ]" 2
418 1 51 LYS QE 1 53 VAL H . . 6.000 5.139 4.580 5.438 . 0 0 "[ . 1 . 2 ]" 2
419 1 53 VAL QG 1 77 VAL HA . . 5.200 3.797 2.980 3.964 . 0 0 "[ . 1 . 2 ]" 2
420 1 53 VAL H 1 54 ALA H . . 4.000 4.074 4.008 4.153 0.153 23 0 "[ . 1 . 2 ]" 2
421 1 52 PRO HA 1 53 VAL QG . . 6.400 3.079 2.884 3.204 . 0 0 "[ . 1 . 2 ]" 2
422 1 53 VAL H 1 78 SER H . . 3.500 3.571 3.385 3.669 0.169 17 0 "[ . 1 . 2 ]" 2
423 1 53 VAL H 1 76 GLY H . . 2.800 1.906 1.750 2.352 0.050 15 0 "[ . 1 . 2 ]" 2
424 1 55 ARG H 1 55 ARG QG . . 5.000 3.735 2.325 4.323 . 0 0 "[ . 1 . 2 ]" 2
425 1 55 ARG H 1 75 VAL QG . . 7.400 3.797 3.299 4.687 . 0 0 "[ . 1 . 2 ]" 2
426 1 55 ARG QG 1 56 GLN H . . 7.000 3.720 2.135 4.627 . 0 0 "[ . 1 . 2 ]" 2
427 1 56 GLN QB 1 73 PRO HA . . 3.800 3.520 3.016 4.158 0.358 9 0 "[ . 1 . 2 ]" 2
428 1 57 ALA HA 1 58 ARG QB . . 5.000 4.108 3.709 4.504 . 0 0 "[ . 1 . 2 ]" 2
429 1 56 GLN QB 1 57 ALA MB . . 6.000 3.889 3.149 4.293 . 0 0 "[ . 1 . 2 ]" 2
430 1 57 ALA MB 1 59 LYS QE . . 8.000 5.186 3.776 6.001 . 0 0 "[ . 1 . 2 ]" 2
431 1 57 ALA MB 1 71 ILE MD . . 6.000 3.285 1.641 4.184 0.159 10 0 "[ . 1 . 2 ]" 2
432 1 57 ALA MB 1 74 SER H . . 6.000 4.211 1.572 5.105 0.228 11 0 "[ . 1 . 2 ]" 2
433 1 58 ARG QB 1 73 PRO QD . . 8.000 5.749 3.380 6.651 . 0 0 "[ . 1 . 2 ]" 2
434 1 58 ARG QG 1 71 ILE HB . . 6.000 4.950 3.632 5.667 . 0 0 "[ . 1 . 2 ]" 2
435 1 57 ALA HA 1 58 ARG H . . 2.800 2.483 2.120 2.884 0.084 10 0 "[ . 1 . 2 ]" 2
436 1 58 ARG QG 1 61 PHE H . . 7.000 6.044 3.926 6.464 . 0 0 "[ . 1 . 2 ]" 2
437 1 58 ARG H 1 58 ARG QG . . 3.800 2.929 1.723 3.686 0.077 19 0 "[ . 1 . 2 ]" 2
438 1 58 ARG QB 1 59 LYS H . . 3.800 2.721 1.284 3.575 0.516 22 1 "[ . 1 . 2 + ]" 2
439 1 59 LYS H 1 59 LYS QB . . 3.800 2.828 2.095 3.461 . 0 0 "[ . 1 . 2 ]" 2
440 1 61 PHE QD 1 62 ASN H . . 7.000 2.728 1.832 4.413 . 0 0 "[ . 1 . 2 ]" 2
441 1 62 ASN H 1 62 ASN QB . . 3.800 2.521 1.834 3.118 . 0 0 "[ . 1 . 2 ]" 2
442 1 62 ASN H 1 64 GLN QB . . 5.000 4.289 3.151 4.794 . 0 0 "[ . 1 . 2 ]" 2
443 1 66 GLN H 1 67 GLU H . . 4.000 3.100 1.784 4.174 0.174 10 0 "[ . 1 . 2 ]" 2
444 1 67 GLU H 1 68 ALA H . . 4.000 3.446 1.861 4.521 0.521 3 1 "[ + . 1 . 2 ]" 2
445 1 67 GLU H 1 67 GLU QB . . 3.800 2.629 1.987 3.461 . 0 0 "[ . 1 . 2 ]" 2
446 1 67 GLU HA 1 68 ALA MB . . 5.000 4.037 3.595 4.185 . 0 0 "[ . 1 . 2 ]" 2
447 1 69 LEU H 1 69 LEU HG . . 2.800 2.468 1.768 2.886 0.086 23 0 "[ . 1 . 2 ]" 2
448 1 60 GLY H 1 69 LEU HG . . 6.000 5.139 1.965 6.141 0.141 18 0 "[ . 1 . 2 ]" 2
449 1 71 ILE H 1 71 ILE QG . . 3.800 2.631 1.756 3.961 0.161 12 0 "[ . 1 . 2 ]" 2
450 1 70 GLU H 1 71 ILE MG . . 5.000 3.176 2.101 4.412 . 0 0 "[ . 1 . 2 ]" 2
451 1 71 ILE MD 1 72 ALA MB . . 6.000 3.669 2.005 4.418 . 0 0 "[ . 1 . 2 ]" 2
452 1 72 ALA MB 1 74 SER H . . 6.000 4.652 3.160 5.173 . 0 0 "[ . 1 . 2 ]" 2
453 1 73 PRO QB 1 74 SER H . . 7.000 3.580 2.504 4.018 . 0 0 "[ . 1 . 2 ]" 2
454 1 38 LYS H 1 75 VAL QG . . 8.400 6.032 5.527 6.346 . 0 0 "[ . 1 . 2 ]" 2
455 1 76 GLY QA 1 77 VAL QG . . 7.400 3.386 2.706 4.035 . 0 0 "[ . 1 . 2 ]" 2
456 1 75 VAL HB 1 76 GLY H . . 4.000 4.053 3.773 4.378 0.378 5 0 "[ . 1 . 2 ]" 2
457 1 77 VAL H 1 78 SER H . . 4.000 3.960 3.487 4.152 0.152 15 0 "[ . 1 . 2 ]" 2
458 1 51 LYS QG 1 78 SER H . . 6.000 3.316 2.853 5.464 . 0 0 "[ . 1 . 2 ]" 2
459 1 51 LYS QB 1 78 SER QB . . 6.000 3.655 1.714 4.638 0.086 19 0 "[ . 1 . 2 ]" 2
460 1 51 LYS QG 1 78 SER QB . . 6.000 1.979 1.678 3.246 0.122 6 0 "[ . 1 . 2 ]" 2
461 1 78 SER QB 1 79 VAL H . . 3.800 2.549 1.980 3.171 . 0 0 "[ . 1 . 2 ]" 2
462 1 50 ILE HA 1 79 VAL QG . . 7.400 2.452 1.654 3.644 0.146 14 0 "[ . 1 . 2 ]" 2
463 1 49 ASN H 1 79 VAL QG . . 6.400 3.258 1.906 4.607 . 0 0 "[ . 1 . 2 ]" 2
464 1 80 LYS H 1 80 LYS QD . . 6.000 4.099 2.038 4.999 . 0 0 "[ . 1 . 2 ]" 2
465 1 47 PHE H 1 82 GLY H . . 6.000 4.973 4.494 6.145 0.145 1 0 "[ . 1 . 2 ]" 2
466 1 82 GLY H 1 85 LEU QD . . 7.400 3.177 1.743 5.186 0.057 23 0 "[ . 1 . 2 ]" 2
467 1 47 PHE H 1 82 GLY QA . . 6.000 4.327 3.786 5.043 . 0 0 "[ . 1 . 2 ]" 2
468 1 82 GLY H 1 86 LYS QB . . 7.000 5.975 5.215 6.565 . 0 0 "[ . 1 . 2 ]" 2
469 1 83 GLU HA 1 86 LYS QB . . 3.800 2.364 1.764 3.512 0.036 21 0 "[ . 1 . 2 ]" 2
470 1 83 GLU QG 1 87 LYS QB . . 4.800 3.410 1.915 3.916 . 0 0 "[ . 1 . 2 ]" 2
471 1 83 GLU HA 1 86 LYS QD . . 3.800 3.126 1.896 3.701 . 0 0 "[ . 1 . 2 ]" 2
472 1 83 GLU HA 1 84 SER HA . . 5.000 4.917 4.786 4.979 . 0 0 "[ . 1 . 2 ]" 2
473 1 83 GLU QB 1 84 SER HA . . 7.000 4.677 4.447 5.500 . 0 0 "[ . 1 . 2 ]" 2
474 1 84 SER H 1 86 LYS QB . . 6.000 4.400 3.524 4.859 . 0 0 "[ . 1 . 2 ]" 2
475 1 82 GLY QA 1 84 SER H . . 3.800 3.231 2.997 3.523 . 0 0 "[ . 1 . 2 ]" 2
476 1 84 SER HA 1 87 LYS QB . . 7.000 3.820 2.628 6.706 . 0 0 "[ . 1 . 2 ]" 2
477 1 83 GLU QG 1 84 SER QB . . 6.000 3.748 3.032 4.789 . 0 0 "[ . 1 . 2 ]" 2
478 1 82 GLY QA 1 85 LEU H . . 6.000 4.124 2.955 5.407 . 0 0 "[ . 1 . 2 ]" 2
479 1 83 GLU HA 1 85 LEU H . . 5.000 3.934 3.621 4.363 . 0 0 "[ . 1 . 2 ]" 2
480 1 47 PHE HA 1 85 LEU H . . 5.000 3.977 2.865 5.225 0.225 4 0 "[ . 1 . 2 ]" 2
481 1 85 LEU QD 1 89 ALA MB . . 8.400 4.044 2.390 5.149 . 0 0 "[ . 1 . 2 ]" 2
482 1 82 GLY H 1 85 LEU H . . 6.000 4.226 3.457 5.376 . 0 0 "[ . 1 . 2 ]" 2
483 1 86 LYS H 1 86 LYS QB . . 3.800 1.962 1.779 2.354 0.021 13 0 "[ . 1 . 2 ]" 2
484 1 86 LYS HA 1 89 ALA H . . 4.000 3.060 2.820 3.291 . 0 0 "[ . 1 . 2 ]" 2
485 1 85 LEU QD 1 86 LYS HA . . 8.400 4.333 2.728 5.530 . 0 0 "[ . 1 . 2 ]" 2
486 1 86 LYS QB 1 89 ALA H . . 6.000 4.491 4.330 4.714 . 0 0 "[ . 1 . 2 ]" 2
487 1 86 LYS QB 1 87 LYS HA . . 4.500 3.914 3.792 4.238 . 0 0 "[ . 1 . 2 ]" 2
488 1 84 SER H 1 86 LYS H . . 4.000 3.908 3.654 4.045 0.045 23 0 "[ . 1 . 2 ]" 2
489 1 83 GLU QB 1 87 LYS QB . . 4.800 3.487 2.909 3.920 . 0 0 "[ . 1 . 2 ]" 2
490 1 87 LYS QG 1 88 ALA H . . 5.000 3.733 3.390 4.206 . 0 0 "[ . 1 . 2 ]" 2
491 1 87 LYS HA 1 89 ALA H . . 4.000 4.109 3.914 4.268 0.268 19 0 "[ . 1 . 2 ]" 2
492 1 87 LYS H 1 89 ALA H . . 3.500 3.622 3.540 3.672 0.172 15 0 "[ . 1 . 2 ]" 2
493 1 87 LYS QB 1 89 ALA H . . 6.000 4.417 4.255 4.513 . 0 0 "[ . 1 . 2 ]" 2
494 1 85 LEU QD 1 88 ALA MB . . 8.400 3.471 1.677 4.370 0.123 19 0 "[ . 1 . 2 ]" 2
495 1 87 LYS QB 1 88 ALA H . . 3.800 2.514 2.371 2.607 . 0 0 "[ . 1 . 2 ]" 2
496 1 86 LYS HA 1 88 ALA H . . 4.000 4.224 4.030 4.322 0.322 21 0 "[ . 1 . 2 ]" 2
497 1 89 ALA MB 1 90 GLU H . . 5.000 2.572 2.199 2.902 . 0 0 "[ . 1 . 2 ]" 2
498 1 85 LEU QB 1 89 ALA H . . 6.000 4.556 3.539 5.307 . 0 0 "[ . 1 . 2 ]" 2
499 1 85 LEU HA 1 89 ALA H . . 4.000 4.043 3.642 4.309 0.309 4 0 "[ . 1 . 2 ]" 2
500 1 89 ALA H 1 89 ALA HA . . 2.800 2.867 2.827 2.945 0.145 4 0 "[ . 1 . 2 ]" 2
501 1 89 ALA MB 1 90 GLU QB . . 8.000 3.989 3.659 4.425 . 0 0 "[ . 1 . 2 ]" 2
502 1 89 ALA MB 1 90 GLU HA . . 5.000 3.903 3.800 4.061 . 0 0 "[ . 1 . 2 ]" 2
503 1 90 GLU H 1 90 GLU QG . . 3.800 2.927 1.981 3.486 . 0 0 "[ . 1 . 2 ]" 2
504 1 92 LEU H 1 92 LEU HG . . 2.800 2.690 1.807 3.038 0.238 4 0 "[ . 1 . 2 ]" 2
505 1 89 ALA HA 1 92 LEU H . . 2.800 2.922 2.511 3.068 0.268 8 0 "[ . 1 . 2 ]" 2
506 1 93 LYS QG 1 96 ASP QB . . 7.000 3.914 2.202 5.890 . 0 0 "[ . 1 . 2 ]" 2
507 1 93 LYS QB 1 94 TYR H . . 4.500 3.910 3.759 4.138 . 0 0 "[ . 1 . 2 ]" 2
508 1 94 TYR QD 1 95 GLU H . . 4.800 2.894 2.044 3.601 . 0 0 "[ . 1 . 2 ]" 2
509 1 94 TYR QE 1 95 GLU H . . 6.000 4.619 3.557 5.587 . 0 0 "[ . 1 . 2 ]" 2
510 1 94 TYR H 1 94 TYR QD . . 4.800 3.844 2.794 4.247 . 0 0 "[ . 1 . 2 ]" 2
511 1 94 TYR HA 1 94 TYR QE . . 6.000 4.789 4.130 5.440 . 0 0 "[ . 1 . 2 ]" 2
512 1 93 LYS HA 1 94 TYR H . . 2.800 2.717 2.378 2.945 0.145 19 0 "[ . 1 . 2 ]" 2
513 1 94 TYR HA 1 97 PHE QE . . 7.000 5.306 2.757 6.556 . 0 0 "[ . 1 . 2 ]" 2
514 1 93 LYS HA 1 94 TYR HA . . 5.000 4.810 4.546 4.927 . 0 0 "[ . 1 . 2 ]" 2
515 1 93 LYS QD 1 94 TYR QB . . 8.000 5.938 5.155 6.452 . 0 0 "[ . 1 . 2 ]" 2
516 1 95 GLU QB 1 98 ALA MB . . 4.800 3.467 3.131 3.569 . 0 0 "[ . 1 . 2 ]" 2
517 1 94 TYR QD 1 95 GLU HA . . 4.800 3.674 2.770 4.247 . 0 0 "[ . 1 . 2 ]" 2
518 1 95 GLU HA 1 97 PHE H . . 5.000 4.147 3.873 4.348 . 0 0 "[ . 1 . 2 ]" 2
519 1 95 GLU H 1 95 GLU QG . . 3.800 2.043 1.901 2.757 . 0 0 "[ . 1 . 2 ]" 2
520 1 97 PHE H 1 98 ALA MB . . 7.000 3.816 3.508 4.036 . 0 0 "[ . 1 . 2 ]" 2
521 1 96 ASP H 1 97 PHE QB . . 7.000 4.608 4.021 5.866 . 0 0 "[ . 1 . 2 ]" 2
522 1 95 GLU H 1 97 PHE H . . 4.000 4.049 3.849 4.274 0.274 7 0 "[ . 1 . 2 ]" 2
523 1 96 ASP QB 1 97 PHE QD . . 5.800 3.940 2.302 4.968 . 0 0 "[ . 1 . 2 ]" 2
524 1 97 PHE QB 1 98 ALA MB . . 6.000 4.077 3.726 4.869 . 0 0 "[ . 1 . 2 ]" 2
525 1 95 GLU HA 1 98 ALA H . . 3.500 3.259 2.945 3.948 0.448 6 0 "[ . 1 . 2 ]" 2
526 1 95 GLU QB 1 98 ALA H . . 5.000 4.151 3.234 4.537 . 0 0 "[ . 1 . 2 ]" 2
527 1 95 GLU QG 1 98 ALA H . . 6.000 4.876 4.602 5.183 . 0 0 "[ . 1 . 2 ]" 2
528 1 99 LYS H 1 99 LYS QB . . 3.800 2.216 1.943 2.531 . 0 0 "[ . 1 . 2 ]" 2
529 1 92 LEU QB 2 38 LYS H . . 5.000 3.846 3.300 5.038 0.038 4 0 "[ . 1 . 2 ]" 2
530 1 94 TYR QD 2 74 SER HA . . 7.000 3.521 2.634 4.683 . 0 0 "[ . 1 . 2 ]" 2
531 1 28 PHE QD 2 47 PHE QD . . 8.000 5.941 4.941 6.786 . 0 0 "[ . 1 . 2 ]" 2
532 1 23 LYS QE 2 14 THR HA . . 6.000 3.554 1.946 5.156 . 0 0 "[ . 1 . 2 ]" 2
533 1 44 LEU QD 2 32 ILE MG . . 7.400 2.961 2.595 3.403 . 0 0 "[ . 1 . 2 ]" 2
534 1 14 THR HA 2 20 SER QB . . 7.000 3.603 2.111 4.348 . 0 0 "[ . 1 . 2 ]" 2
535 1 28 PHE QB 2 10 ILE HB . . 6.000 4.879 4.379 5.236 . 0 0 "[ . 1 . 2 ]" 2
536 1 31 ILE MG 2 9 ALA HA . . 5.000 3.614 2.666 4.094 . 0 0 "[ . 1 . 2 ]" 2
537 1 31 ILE QG 2 6 LEU HA . . 6.000 5.224 4.637 5.450 . 0 0 "[ . 1 . 2 ]" 2
538 1 32 ILE QG 2 85 LEU QD . . 8.400 4.923 3.865 5.430 . 0 0 "[ . 1 . 2 ]" 2
539 1 43 GLN QG 2 2 ASN HA . . 5.000 3.746 1.811 4.499 . 0 0 "[ . 1 . 2 ]" 2
540 1 47 PHE HZ 2 32 ILE MG . . 5.000 2.168 1.689 2.514 0.111 11 0 "[ . 1 . 2 ]" 2
541 1 47 PHE QD 2 32 ILE MG . . 5.800 3.314 3.098 3.828 . 0 0 "[ . 1 . 2 ]" 2
542 1 47 PHE QE 2 32 ILE MG . . 5.800 1.847 1.635 2.216 0.165 15 0 "[ . 1 . 2 ]" 2
543 1 56 GLN HA 2 94 TYR QE . . 6.000 4.223 2.483 6.273 0.273 15 0 "[ . 1 . 2 ]" 2
544 1 75 VAL QG 2 89 ALA HA . . 6.400 3.046 2.251 3.667 . 0 0 "[ . 1 . 2 ]" 2
545 1 85 LEU QD 2 32 ILE MG . . 7.400 2.421 1.815 3.118 . 0 0 "[ . 1 . 2 ]" 2
546 1 94 TYR QD 2 74 SER H . . 4.800 4.342 3.584 4.821 0.021 12 0 "[ . 1 . 2 ]" 2
547 1 94 TYR QD 2 73 PRO QB . . 7.000 4.640 1.894 6.273 . 0 0 "[ . 1 . 2 ]" 2
548 1 1 MET QB 2 42 VAL QG . . 6.200 2.259 1.616 3.505 0.184 19 0 "[ . 1 . 2 ]" 2
549 1 2 ASN HA 2 43 GLN H . . 2.800 2.681 2.196 2.878 0.078 7 0 "[ . 1 . 2 ]" 2
550 1 6 LEU QD 2 28 PHE QE . . 8.400 3.416 2.853 4.154 . 0 0 "[ . 1 . 2 ]" 2
551 1 6 LEU QD 2 28 PHE QD . . 8.400 3.118 2.237 4.318 . 0 0 "[ . 1 . 2 ]" 2
552 1 24 MET QB 2 14 THR MG . . 6.000 2.163 1.706 3.129 0.094 14 0 "[ . 1 . 2 ]" 2
553 1 28 PHE QE 2 47 PHE QD . . 6.800 5.061 4.342 5.934 . 0 0 "[ . 1 . 2 ]" 2
554 1 28 PHE QE 2 48 LEU QD . . 10.400 4.292 3.373 5.251 . 0 0 "[ . 1 . 2 ]" 2
555 1 32 ILE MG 2 48 LEU QD . . 7.400 2.959 1.963 3.763 . 0 0 "[ . 1 . 2 ]" 2
556 1 33 THR MG 2 88 ALA HA . . 5.000 3.891 2.678 4.265 . 0 0 "[ . 1 . 2 ]" 2
557 1 36 VAL QG 2 89 ALA MB . . 6.200 2.833 2.142 3.398 . 0 0 "[ . 1 . 2 ]" 2
558 1 45 THR MG 2 28 PHE QE . . 7.000 4.098 3.166 4.609 . 0 0 "[ . 1 . 2 ]" 2
559 1 47 PHE QE 2 32 ILE H . . 8.000 4.970 3.774 5.381 . 0 0 "[ . 1 . 2 ]" 2
560 1 47 PHE QD 2 32 ILE H . . 8.000 6.374 5.724 6.728 . 0 0 "[ . 1 . 2 ]" 2
561 1 47 PHE QE 2 33 THR H . . 8.000 3.884 2.435 4.589 . 0 0 "[ . 1 . 2 ]" 2
562 1 47 PHE QD 2 32 ILE HA . . 7.000 6.420 6.076 6.667 . 0 0 "[ . 1 . 2 ]" 2
563 1 52 PRO QB 2 97 PHE QD . . 9.000 4.749 3.225 5.500 . 0 0 "[ . 1 . 2 ]" 2
564 1 54 ALA MB 2 97 PHE H . . 5.000 4.030 3.279 4.352 . 0 0 "[ . 1 . 2 ]" 2
565 1 75 VAL HB 2 94 TYR HA . . 3.500 3.506 2.518 3.713 0.213 11 0 "[ . 1 . 2 ]" 2
566 1 89 ALA MB 2 52 PRO QB . . 8.000 3.235 2.025 4.054 . 0 0 "[ . 1 . 2 ]" 2
567 1 94 TYR QE 2 74 SER QB . . 7.000 3.965 2.499 4.767 . 0 0 "[ . 1 . 2 ]" 2
568 1 59 LYS QB 1 70 GLU HA . . 4.500 3.989 2.274 4.702 0.202 10 0 "[ . 1 . 2 ]" 2
569 1 60 GLY H 1 70 GLU HA . . 5.000 3.941 1.778 5.388 0.388 11 0 "[ . 1 . 2 ]" 2
570 1 31 ILE MD 2 1 MET ME . . 7.060 2.460 1.802 3.489 . 0 0 "[ . 1 . 2 ]" 2
571 1 35 THR HA 2 1 MET ME . . 6.030 4.883 4.549 5.017 . 0 0 "[ . 1 . 2 ]" 2
572 1 40 ASP QB 2 1 MET QB . . 7.200 3.764 2.230 5.078 . 0 0 "[ . 1 . 2 ]" 2
573 1 42 VAL QG 2 1 MET ME . . 7.340 2.335 1.869 3.616 . 0 0 "[ . 1 . 2 ]" 2
574 1 42 VAL HB 2 1 MET ME . . 6.200 4.250 2.924 5.021 . 0 0 "[ . 1 . 2 ]" 2
575 1 42 VAL HA 2 1 MET ME . . 6.030 4.265 3.615 4.913 . 0 0 "[ . 1 . 2 ]" 2
576 1 42 VAL HA 2 1 MET QG . . 5.880 3.953 1.748 5.011 0.052 21 0 "[ . 1 . 2 ]" 2
577 1 42 VAL QG 2 1 MET QG . . 8.340 3.232 1.878 4.022 . 0 0 "[ . 1 . 2 ]" 2
578 1 44 LEU QD 2 3 LYS HA . . 6.310 3.736 2.743 4.184 . 0 0 "[ . 1 . 2 ]" 2
579 1 44 LEU HA 2 3 LYS QE . . 6.880 5.003 4.057 5.616 . 0 0 "[ . 1 . 2 ]" 2
580 1 44 LEU QB 2 3 LYS QE . . 6.910 4.481 3.399 5.088 . 0 0 "[ . 1 . 2 ]" 2
581 1 32 ILE MD 2 6 LEU QD . . 6.140 2.142 1.792 2.668 0.008 4 0 "[ . 1 . 2 ]" 2
582 1 32 ILE HA 2 6 LEU QD . . 5.110 3.349 2.957 3.734 . 0 0 "[ . 1 . 2 ]" 2
583 1 19 VAL QG 2 14 THR HA . . 6.400 3.837 3.004 4.344 . 0 0 "[ . 1 . 2 ]" 2
584 1 19 VAL QG 2 14 THR HB . . 5.810 2.366 1.765 2.879 0.035 2 0 "[ . 1 . 2 ]" 2
585 1 19 VAL HA 2 14 THR MG . . 6.030 4.667 4.112 4.914 . 0 0 "[ . 1 . 2 ]" 2
586 1 24 MET HA 2 16 LEU QD . . 8.400 4.895 4.218 5.366 . 0 0 "[ . 1 . 2 ]" 2
587 1 24 MET ME 2 16 LEU QD . . 8.400 5.293 5.149 5.388 . 0 0 "[ . 1 . 2 ]" 2
588 1 16 LEU QD 2 18 GLN HA . . 7.810 5.836 5.730 5.994 . 0 0 "[ . 1 . 2 ]" 2
589 1 10 ILE H 2 19 VAL QG . . 8.400 6.356 6.212 6.470 . 0 0 "[ . 1 . 2 ]" 2
590 1 17 THR HB 2 19 VAL MG1 . . 6.400 5.469 5.420 5.513 . 0 0 "[ . 1 . 2 ]" 2
591 1 17 THR HB 2 19 VAL MG2 . . 6.400 4.281 3.962 4.721 . 0 0 "[ . 1 . 2 ]" 2
592 1 14 THR MG 2 21 VAL HA . . 7.200 5.101 4.755 5.416 . 0 0 "[ . 1 . 2 ]" 2
593 1 8 LYS QE 2 31 ILE MD . . 8.600 6.266 6.081 6.604 . 0 0 "[ . 1 . 2 ]" 2
594 1 6 LEU HA 2 32 ILE HA . . 8.000 6.753 6.254 7.280 . 0 0 "[ . 1 . 2 ]" 2
595 1 44 LEU QD 2 32 ILE MD . . 6.140 3.099 2.374 3.764 . 0 0 "[ . 1 . 2 ]" 2
596 1 47 PHE QE 2 32 ILE HA . . 7.630 4.994 3.947 5.329 . 0 0 "[ . 1 . 2 ]" 2
597 1 47 PHE HZ 2 32 ILE HA . . 6.000 5.151 4.643 5.542 . 0 0 "[ . 1 . 2 ]" 2
598 1 47 PHE QD 2 33 THR MG . . 7.160 4.256 2.985 4.974 . 0 0 "[ . 1 . 2 ]" 2
599 1 47 PHE QE 2 33 THR MG . . 6.660 4.850 3.850 5.339 . 0 0 "[ . 1 . 2 ]" 2
600 1 48 LEU QD 2 32 ILE MD . . 9.340 3.503 2.578 4.664 . 0 0 "[ . 1 . 2 ]" 2
601 1 88 ALA MB 2 33 THR MG . . 5.900 1.935 1.785 2.921 0.015 8 0 "[ . 1 . 2 ]" 2
602 1 88 ALA H 2 33 THR MG . . 4.530 3.694 3.500 3.790 . 0 0 "[ . 1 . 2 ]" 2
603 1 94 TYR QD 2 37 ALA MB . . 9.400 7.000 6.464 7.330 . 0 0 "[ . 1 . 2 ]" 2
604 1 92 LEU H 2 39 GLY QA . . 7.000 6.432 6.231 6.617 . 0 0 "[ . 1 . 2 ]" 2
605 1 92 LEU QD 2 39 GLY QA . . 8.110 3.063 1.871 4.882 . 0 0 "[ . 1 . 2 ]" 2
606 1 92 LEU QD 2 39 GLY H . . 6.310 3.544 2.199 4.446 . 0 0 "[ . 1 . 2 ]" 2
607 1 2 ASN HA 2 43 GLN QB . . 4.880 3.558 2.889 4.440 . 0 0 "[ . 1 . 2 ]" 2
608 1 3 LYS H 2 43 GLN QB . . 5.880 4.937 4.589 5.280 . 0 0 "[ . 1 . 2 ]" 2
609 1 2 ASN HA 2 44 LEU QD . . 7.310 3.772 3.054 4.845 . 0 0 "[ . 1 . 2 ]" 2
610 1 28 PHE QE 2 44 LEU QD . . 7.940 1.758 1.649 2.038 0.151 15 0 "[ . 1 . 2 ]" 2
611 1 28 PHE QD 2 44 LEU QD . . 7.240 3.237 2.508 3.722 . 0 0 "[ . 1 . 2 ]" 2
612 1 32 ILE HB 2 44 LEU QD . . 5.810 4.191 3.837 4.432 . 0 0 "[ . 1 . 2 ]" 2
613 1 28 PHE QD 2 45 THR MG . . 7.160 4.415 3.557 4.933 . 0 0 "[ . 1 . 2 ]" 2
614 1 32 ILE HB 2 47 PHE QE . . 5.630 3.228 2.063 3.661 . 0 0 "[ . 1 . 2 ]" 2
615 1 32 ILE HB 2 47 PHE QD . . 5.630 4.605 4.207 4.793 . 0 0 "[ . 1 . 2 ]" 2
616 1 32 ILE HB 2 47 PHE HZ . . 4.000 2.746 2.023 3.376 . 0 0 "[ . 1 . 2 ]" 2
617 1 32 ILE MD 2 47 PHE QD . . 8.160 5.229 4.456 5.606 . 0 0 "[ . 1 . 2 ]" 2
618 1 32 ILE MD 2 47 PHE QE . . 5.960 3.431 2.455 3.844 . 0 0 "[ . 1 . 2 ]" 2
619 1 32 ILE MD 2 47 PHE HZ . . 4.530 3.041 2.627 3.652 . 0 0 "[ . 1 . 2 ]" 2
620 1 28 PHE QD 2 48 LEU HG . . 7.900 7.320 6.488 7.656 . 0 0 "[ . 1 . 2 ]" 2
621 1 28 PHE QE 2 48 LEU HG . . 7.400 5.505 4.435 5.973 . 0 0 "[ . 1 . 2 ]" 2
622 1 92 LEU H 2 52 PRO QG . . 8.000 6.870 5.714 7.303 . 0 0 "[ . 1 . 2 ]" 2
623 1 94 TYR HA 2 54 ALA MB . . 7.030 4.019 3.343 4.624 . 0 0 "[ . 1 . 2 ]" 2
624 1 94 TYR QE 2 54 ALA MB . . 5.960 3.356 2.189 4.653 . 0 0 "[ . 1 . 2 ]" 2
625 1 94 TYR QD 2 54 ALA MB . . 5.960 3.341 2.501 4.505 . 0 0 "[ . 1 . 2 ]" 2
626 1 97 PHE QE 2 54 ALA MB . . 7.160 3.924 2.190 5.397 . 0 0 "[ . 1 . 2 ]" 2
627 1 97 PHE QD 2 54 ALA MB . . 6.660 2.524 1.894 3.608 . 0 0 "[ . 1 . 2 ]" 2
628 1 97 PHE HA 2 54 ALA MB . . 6.030 4.075 3.410 5.106 . 0 0 "[ . 1 . 2 ]" 2
629 1 97 PHE QB 2 54 ALA MB . . 5.910 2.338 1.754 4.016 0.046 8 0 "[ . 1 . 2 ]" 2
630 1 98 ALA HA 2 54 ALA MB . . 4.530 2.708 1.827 3.968 . 0 0 "[ . 1 . 2 ]" 2
631 1 98 ALA MB 2 54 ALA MB . . 5.560 3.009 1.907 3.784 . 0 0 "[ . 1 . 2 ]" 2
632 1 98 ALA H 2 54 ALA MB . . 5.030 3.259 2.295 3.918 . 0 0 "[ . 1 . 2 ]" 2
633 1 99 LYS H 2 54 ALA MB . . 6.530 4.956 4.123 5.807 . 0 0 "[ . 1 . 2 ]" 2
634 1 92 LEU QD 2 75 VAL QG . . 9.620 2.380 1.447 5.303 0.353 8 0 "[ . 1 . 2 ]" 2
635 1 94 TYR QD 2 75 VAL QG . . 7.940 2.520 1.818 3.544 . 0 0 "[ . 1 . 2 ]" 2
636 1 94 TYR QE 2 75 VAL QG . . 8.440 3.674 1.832 4.605 . 0 0 "[ . 1 . 2 ]" 2
637 1 94 TYR QB 2 75 VAL QG . . 8.190 2.944 1.781 4.212 0.019 23 0 "[ . 1 . 2 ]" 2
638 1 97 PHE QB 2 75 VAL QG . . 8.690 3.593 2.043 5.589 . 0 0 "[ . 1 . 2 ]" 2
639 1 97 PHE QE 2 75 VAL QG . . 7.240 3.708 1.838 4.780 . 0 0 "[ . 1 . 2 ]" 2
640 1 97 PHE QD 2 75 VAL QG . . 7.240 3.491 2.645 4.286 . 0 0 "[ . 1 . 2 ]" 2
641 1 89 ALA MB 2 76 GLY QA . . 7.200 4.829 3.564 5.492 . 0 0 "[ . 1 . 2 ]" 2
642 1 83 GLU QB 2 77 VAL QG . . 8.190 5.267 5.118 5.465 . 0 0 "[ . 1 . 2 ]" 2
643 1 85 LEU H 2 77 VAL QG . . 8.310 3.652 2.960 4.725 . 0 0 "[ . 1 . 2 ]" 2
644 1 79 VAL QG 2 82 GLY H . . 8.400 5.384 4.570 6.286 . 0 0 "[ . 1 . 2 ]" 2
645 1 52 PRO HA 2 89 ALA MB . . 6.530 4.835 3.972 5.316 . 0 0 "[ . 1 . 2 ]" 2
646 1 75 VAL QG 2 89 ALA MB . . 6.840 1.710 1.543 1.881 0.257 7 0 "[ . 1 . 2 ]" 2
647 1 77 VAL HA 2 89 ALA MB . . 6.030 4.823 4.163 5.149 . 0 0 "[ . 1 . 2 ]" 2
648 1 75 VAL HB 2 89 ALA MB . . 6.030 2.180 1.716 4.118 0.084 15 0 "[ . 1 . 2 ]" 2
649 1 37 ALA HA 2 89 ALA MB . . 7.030 3.822 1.865 4.934 . 0 0 "[ . 1 . 2 ]" 2
650 1 36 VAL HB 2 89 ALA MB . . 6.530 5.051 3.637 5.347 . 0 0 "[ . 1 . 2 ]" 2
651 1 75 VAL QG 2 92 LEU HG . . 7.810 3.842 2.464 5.725 . 0 0 "[ . 1 . 2 ]" 2
652 1 56 GLN QE 2 94 TYR QE . . 7.010 4.663 2.051 5.777 . 0 0 "[ . 1 . 2 ]" 2
653 1 75 VAL QG 2 94 TYR HA . . 8.310 2.849 1.717 3.773 0.083 19 0 "[ . 1 . 2 ]" 2
654 1 54 ALA HA 2 94 TYR QD . . 6.400 2.767 1.799 5.439 0.001 16 0 "[ . 1 . 2 ]" 2
655 1 54 ALA HA 2 94 TYR QE . . 5.630 3.129 1.606 4.976 0.194 9 0 "[ . 1 . 2 ]" 2
656 1 55 ARG H 2 94 TYR QD . . 5.630 3.584 2.146 5.602 . 0 0 "[ . 1 . 2 ]" 2
657 1 55 ARG H 2 94 TYR QE . . 5.630 2.522 1.860 4.714 . 0 0 "[ . 1 . 2 ]" 2
658 1 56 GLN QG 2 94 TYR QE . . 7.010 4.258 2.557 5.799 . 0 0 "[ . 1 . 2 ]" 2
659 1 73 PRO HA 2 94 TYR QE . . 7.130 3.334 1.631 4.848 0.169 5 0 "[ . 1 . 2 ]" 2
660 1 73 PRO HA 2 94 TYR QD . . 7.130 5.053 2.894 6.272 . 0 0 "[ . 1 . 2 ]" 2
661 1 74 SER H 2 94 TYR QE . . 5.630 2.995 1.829 3.966 . 0 0 "[ . 1 . 2 ]" 2
662 1 52 PRO HA 2 97 PHE QE . . 8.400 6.642 5.193 7.557 . 0 0 "[ . 1 . 2 ]" 2
663 2 4 THR H 2 4 THR HB . . 2.800 2.379 2.236 2.571 . 0 0 "[ . 1 . 2 ]" 2
664 2 4 THR H 2 4 THR MG . . 4.500 3.737 3.667 3.837 . 0 0 "[ . 1 . 2 ]" 2
665 2 4 THR HA 2 4 THR MG . . 3.480 2.400 2.241 2.495 . 0 0 "[ . 1 . 2 ]" 2
666 2 5 GLU H 2 5 GLU QG . . 4.880 3.123 1.787 3.929 0.013 7 0 "[ . 1 . 2 ]" 2
667 2 7 ILE H 2 7 ILE HB . . 3.500 2.683 1.962 3.598 0.098 10 0 "[ . 1 . 2 ]" 2
668 2 9 ALA H 2 9 ALA MB . . 3.490 2.048 1.942 2.128 . 0 0 "[ . 1 . 2 ]" 2
669 2 11 ALA H 2 11 ALA MB . . 3.490 2.017 1.933 2.136 . 0 0 "[ . 1 . 2 ]" 2
670 2 12 GLN H 2 12 GLN QB . . 3.490 2.366 2.084 2.723 . 0 0 "[ . 1 . 2 ]" 2
671 2 12 GLN H 2 12 GLN QG . . 4.370 2.930 2.061 3.931 . 0 0 "[ . 1 . 2 ]" 2
672 2 13 ASP H 2 13 ASP QB . . 3.420 2.210 2.036 2.336 . 0 0 "[ . 1 . 2 ]" 2
673 2 14 THR H 2 14 THR HB . . 3.500 3.212 2.794 3.543 0.043 9 0 "[ . 1 . 2 ]" 2
674 2 14 THR H 2 14 THR MG . . 4.570 3.225 2.551 3.694 . 0 0 "[ . 1 . 2 ]" 2
675 2 16 LEU H 2 16 LEU MD1 . . 4.530 1.880 1.603 3.619 0.197 15 0 "[ . 1 . 2 ]" 2
676 2 16 LEU HA 2 16 LEU MD1 . . 4.480 3.453 3.217 3.803 . 0 0 "[ . 1 . 2 ]" 2
677 2 17 THR H 2 17 THR MG . . 3.770 2.711 2.519 2.964 . 0 0 "[ . 1 . 2 ]" 2
678 2 17 THR HA 2 17 THR MG . . 3.480 3.089 3.052 3.118 . 0 0 "[ . 1 . 2 ]" 2
679 2 20 SER H 2 20 SER QB . . 3.420 2.552 2.336 3.144 . 0 0 "[ . 1 . 2 ]" 2
680 2 21 VAL H 2 21 VAL HB . . 3.500 3.635 3.584 3.682 0.182 17 0 "[ . 1 . 2 ]" 2
681 2 22 SER H 2 22 SER QB . . 3.420 2.230 1.999 2.672 . 0 0 "[ . 1 . 2 ]" 2
682 2 26 ALA H 2 26 ALA MB . . 3.490 2.145 2.047 2.182 . 0 0 "[ . 1 . 2 ]" 2
683 2 28 PHE HA 2 28 PHE QD . . 3.780 3.194 2.980 3.346 . 0 0 "[ . 1 . 2 ]" 2
684 2 31 ILE H 2 31 ILE HB . . 3.500 3.574 3.136 3.625 0.125 11 0 "[ . 1 . 2 ]" 2
685 2 31 ILE H 2 31 ILE QG . . 4.370 1.702 1.552 2.088 0.248 5 0 "[ . 1 . 2 ]" 2
686 2 31 ILE H 2 31 ILE MD . . 5.030 3.388 2.301 3.708 . 0 0 "[ . 1 . 2 ]" 2
687 2 31 ILE HA 2 31 ILE MD . . 4.480 3.833 3.684 3.965 . 0 0 "[ . 1 . 2 ]" 2
688 2 31 ILE HB 2 32 ILE H . . 3.500 3.677 3.203 3.801 0.301 22 0 "[ . 1 . 2 ]" 2
689 2 32 ILE H 2 32 ILE QG . . 4.370 2.318 2.143 3.167 . 0 0 "[ . 1 . 2 ]" 2
690 2 32 ILE H 2 32 ILE MD . . 4.530 3.786 1.935 3.949 . 0 0 "[ . 1 . 2 ]" 2
691 2 32 ILE HA 2 32 ILE MD . . 4.480 2.601 2.018 2.841 . 0 0 "[ . 1 . 2 ]" 2
692 2 33 THR H 2 33 THR MG . . 3.770 3.143 2.876 3.413 . 0 0 "[ . 1 . 2 ]" 2
693 2 33 THR H 2 33 THR HB . . 3.500 2.012 1.902 3.423 . 0 0 "[ . 1 . 2 ]" 2
694 2 33 THR HA 2 33 THR MG . . 3.500 2.905 2.136 3.048 . 0 0 "[ . 1 . 2 ]" 2
695 2 34 GLU H 2 34 GLU QG . . 4.370 2.324 1.994 2.781 . 0 0 "[ . 1 . 2 ]" 2
696 2 36 VAL H 2 36 VAL HB . . 4.000 2.241 1.974 3.560 . 0 0 "[ . 1 . 2 ]" 2
697 2 37 ALA H 2 37 ALA MB . . 3.490 2.083 1.887 2.203 . 0 0 "[ . 1 . 2 ]" 2
698 2 38 LYS H 2 38 LYS QG . . 4.870 4.005 3.367 4.148 . 0 0 "[ . 1 . 2 ]" 2
699 2 42 VAL H 2 42 VAL HB . . 3.500 2.591 2.113 3.586 0.086 21 0 "[ . 1 . 2 ]" 2
700 2 48 LEU HA 2 48 LEU HG . . 3.500 3.102 2.716 3.447 . 0 0 "[ . 1 . 2 ]" 2
701 2 48 LEU H 2 48 LEU HG . . 4.000 3.989 3.573 4.417 0.417 19 0 "[ . 1 . 2 ]" 2
702 2 50 ILE H 2 50 ILE HB . . 4.000 2.519 1.995 3.932 . 0 0 "[ . 1 . 2 ]" 2
703 2 50 ILE H 2 50 ILE MD . . 5.030 3.584 2.065 4.248 . 0 0 "[ . 1 . 2 ]" 2
704 2 53 VAL H 2 53 VAL HB . . 4.000 3.838 3.738 3.931 . 0 0 "[ . 1 . 2 ]" 2
705 2 54 ALA H 2 54 ALA MB . . 3.490 2.115 1.939 2.660 . 0 0 "[ . 1 . 2 ]" 2
706 2 56 GLN H 2 56 GLN QG . . 4.370 2.703 1.940 3.792 . 0 0 "[ . 1 . 2 ]" 2
707 2 64 GLN H 2 64 GLN QB . . 3.420 2.469 1.937 2.988 . 0 0 "[ . 1 . 2 ]" 2
708 2 64 GLN H 2 64 GLN QG . . 4.870 3.760 3.082 4.285 . 0 0 "[ . 1 . 2 ]" 2
709 2 65 THR H 2 65 THR MG . . 4.570 2.827 2.053 3.898 . 0 0 "[ . 1 . 2 ]" 2
710 2 66 GLN H 2 66 GLN QG . . 4.870 3.653 2.192 4.270 . 0 0 "[ . 1 . 2 ]" 2
711 2 67 GLU H 2 67 GLU QG . . 4.370 3.305 1.994 3.989 . 0 0 "[ . 1 . 2 ]" 2
712 2 68 ALA H 2 68 ALA MB . . 3.490 2.042 1.906 2.532 . 0 0 "[ . 1 . 2 ]" 2
713 2 71 ILE H 2 71 ILE HB . . 3.420 3.445 2.127 3.831 0.411 2 0 "[ . 1 . 2 ]" 2
714 2 71 ILE H 2 71 ILE MD . . 5.030 3.230 1.652 4.422 0.148 23 0 "[ . 1 . 2 ]" 2
715 2 72 ALA H 2 72 ALA MB . . 3.490 2.382 1.961 3.050 . 0 0 "[ . 1 . 2 ]" 2
716 2 75 VAL H 2 75 VAL HB . . 3.500 2.451 1.958 3.623 0.123 12 0 "[ . 1 . 2 ]" 2
717 2 77 VAL H 2 77 VAL HB . . 2.800 2.529 2.082 2.812 0.012 11 0 "[ . 1 . 2 ]" 2
718 2 84 SER H 2 84 SER QB . . 3.420 2.275 1.952 3.138 . 0 0 "[ . 1 . 2 ]" 2
719 2 88 ALA H 2 88 ALA MB . . 3.490 2.068 1.943 2.154 . 0 0 "[ . 1 . 2 ]" 2
720 2 89 ALA H 2 89 ALA MB . . 3.490 2.068 1.924 2.199 . 0 0 "[ . 1 . 2 ]" 2
721 2 92 LEU H 2 92 LEU QD . . 5.110 2.854 2.499 3.091 . 0 0 "[ . 1 . 2 ]" 2
722 2 96 ASP H 2 96 ASP QB . . 3.420 2.098 1.949 3.171 . 0 0 "[ . 1 . 2 ]" 2
723 2 98 ALA H 2 98 ALA MB . . 3.490 2.040 1.809 2.162 . 0 0 "[ . 1 . 2 ]" 2
724 2 1 MET HA 2 2 ASN H . . 2.800 2.615 2.292 2.847 0.047 20 0 "[ . 1 . 2 ]" 2
725 2 1 MET HA 2 2 ASN HA . . 5.000 4.687 4.514 4.808 . 0 0 "[ . 1 . 2 ]" 2
726 2 2 ASN HA 2 3 LYS H . . 3.500 2.790 2.487 3.151 . 0 0 "[ . 1 . 2 ]" 2
727 2 2 ASN QB 2 3 LYS H . . 4.360 2.204 1.821 3.365 . 0 0 "[ . 1 . 2 ]" 2
728 2 2 ASN HA 2 3 LYS HA . . 5.000 4.433 4.389 4.499 . 0 0 "[ . 1 . 2 ]" 2
729 2 3 LYS H 2 4 THR H . . 4.000 2.858 2.734 2.990 . 0 0 "[ . 1 . 2 ]" 2
730 2 4 THR H 2 5 GLU H . . 2.800 2.287 2.000 2.555 . 0 0 "[ . 1 . 2 ]" 2
731 2 4 THR HB 2 5 GLU H . . 4.000 2.291 2.024 2.497 . 0 0 "[ . 1 . 2 ]" 2
732 2 4 THR HA 2 5 GLU H . . 3.500 3.570 3.553 3.586 0.086 16 0 "[ . 1 . 2 ]" 2
733 2 4 THR MG 2 5 GLU QG . . 7.060 3.807 2.756 4.948 . 0 0 "[ . 1 . 2 ]" 2
734 2 4 THR MG 2 5 GLU QB . . 7.060 4.162 3.780 4.743 . 0 0 "[ . 1 . 2 ]" 2
735 2 4 THR MG 2 5 GLU HA . . 7.060 3.359 3.036 3.745 . 0 0 "[ . 1 . 2 ]" 2
736 2 5 GLU HA 2 6 LEU H . . 3.500 3.580 3.556 3.601 0.101 16 0 "[ . 1 . 2 ]" 2
737 2 5 GLU H 2 6 LEU H . . 2.800 2.788 2.611 2.880 0.080 14 0 "[ . 1 . 2 ]" 2
738 2 5 GLU QB 2 6 LEU H . . 4.620 2.447 2.221 2.722 . 0 0 "[ . 1 . 2 ]" 2
739 2 4 THR H 2 6 LEU H . . 4.000 3.495 3.112 3.866 . 0 0 "[ . 1 . 2 ]" 2
740 2 7 ILE H 2 8 LYS H . . 2.800 2.754 2.571 2.876 0.076 13 0 "[ . 1 . 2 ]" 2
741 2 7 ILE HA 2 8 LYS H . . 3.500 3.546 3.516 3.563 0.063 17 0 "[ . 1 . 2 ]" 2
742 2 8 LYS H 2 9 ALA H . . 2.800 2.599 2.428 2.720 . 0 0 "[ . 1 . 2 ]" 2
743 2 9 ALA H 2 10 ILE H . . 2.800 2.713 2.500 2.831 0.031 16 0 "[ . 1 . 2 ]" 2
744 2 9 ALA HA 2 10 ILE MD . . 6.030 4.314 4.029 4.798 . 0 0 "[ . 1 . 2 ]" 2
745 2 10 ILE H 2 11 ALA H . . 2.800 2.084 2.018 2.138 . 0 0 "[ . 1 . 2 ]" 2
746 2 11 ALA H 2 12 GLN H . . 2.800 2.566 2.498 2.635 . 0 0 "[ . 1 . 2 ]" 2
747 2 11 ALA MB 2 12 GLN H . . 4.470 2.930 2.659 3.225 . 0 0 "[ . 1 . 2 ]" 2
748 2 12 GLN H 2 13 ASP H . . 2.800 2.158 2.013 2.315 . 0 0 "[ . 1 . 2 ]" 2
749 2 12 GLN QB 2 13 ASP H . . 4.860 2.770 2.399 3.477 . 0 0 "[ . 1 . 2 ]" 2
750 2 13 ASP H 2 14 THR H . . 4.000 2.358 2.245 2.465 . 0 0 "[ . 1 . 2 ]" 2
751 2 13 ASP QB 2 14 THR MG . . 5.410 3.693 3.058 4.199 . 0 0 "[ . 1 . 2 ]" 2
752 2 14 THR H 2 15 GLY H . . 2.800 2.754 2.406 2.852 0.052 1 0 "[ . 1 . 2 ]" 2
753 2 14 THR MG 2 15 GLY H . . 6.030 3.559 3.415 3.784 . 0 0 "[ . 1 . 2 ]" 2
754 2 15 GLY H 2 16 LEU H . . 2.800 2.785 2.567 2.991 0.191 1 0 "[ . 1 . 2 ]" 2
755 2 14 THR H 2 16 LEU H . . 5.000 4.782 4.634 4.879 . 0 0 "[ . 1 . 2 ]" 2
756 2 14 THR HA 2 16 LEU H . . 5.000 3.574 3.249 3.988 . 0 0 "[ . 1 . 2 ]" 2
757 2 14 THR HB 2 16 LEU H . . 5.000 2.811 2.366 3.374 . 0 0 "[ . 1 . 2 ]" 2
758 2 16 LEU H 2 17 THR H . . 3.500 2.888 2.166 3.522 0.022 1 0 "[ . 1 . 2 ]" 2
759 2 16 LEU HA 2 17 THR H . . 3.500 3.517 3.432 3.536 0.036 14 0 "[ . 1 . 2 ]" 2
760 2 16 LEU HG 2 17 THR H . . 6.310 4.085 1.885 4.475 . 0 0 "[ . 1 . 2 ]" 2
761 2 16 LEU HG 2 17 THR HB . . 6.310 5.542 3.132 5.852 . 0 0 "[ . 1 . 2 ]" 2
762 2 16 LEU HG 2 17 THR HA . . 6.310 6.317 4.432 6.494 0.184 2 0 "[ . 1 . 2 ]" 2
763 2 19 VAL H 2 20 SER H . . 4.000 3.991 3.714 4.108 0.108 15 0 "[ . 1 . 2 ]" 2
764 2 19 VAL QG 2 20 SER HA . . 5.810 3.454 3.387 3.531 . 0 0 "[ . 1 . 2 ]" 2
765 2 19 VAL QG 2 20 SER H . . 5.810 1.628 1.519 1.690 0.281 2 0 "[ . 1 . 2 ]" 2
766 2 19 VAL HB 2 20 SER H . . 3.500 3.433 3.360 3.511 0.011 16 0 "[ . 1 . 2 ]" 2
767 2 20 SER HA 2 21 VAL H . . 3.500 3.058 3.016 3.105 . 0 0 "[ . 1 . 2 ]" 2
768 2 20 SER H 2 21 VAL H . . 3.500 2.076 1.988 2.181 . 0 0 "[ . 1 . 2 ]" 2
769 2 20 SER QB 2 21 VAL H . . 4.860 3.784 3.627 4.002 . 0 0 "[ . 1 . 2 ]" 2
770 2 21 VAL HB 2 22 SER H . . 3.500 3.483 3.215 3.574 0.074 12 0 "[ . 1 . 2 ]" 2
771 2 21 VAL QG 2 22 SER H . . 5.030 1.839 1.798 1.880 0.002 22 0 "[ . 1 . 2 ]" 2
772 2 22 SER H 2 23 LYS H . . 2.800 2.461 2.325 2.604 . 0 0 "[ . 1 . 2 ]" 2
773 2 23 LYS H 2 24 MET H . . 2.800 2.422 2.263 2.589 . 0 0 "[ . 1 . 2 ]" 2
774 2 24 MET H 2 25 LEU H . . 2.800 2.573 2.387 2.722 . 0 0 "[ . 1 . 2 ]" 2
775 2 24 MET ME 2 25 LEU H . . 7.200 2.038 1.841 2.491 . 0 0 "[ . 1 . 2 ]" 2
776 2 24 MET ME 2 25 LEU QD . . 8.510 2.326 1.678 3.809 0.122 22 0 "[ . 1 . 2 ]" 2
777 2 25 LEU H 2 26 ALA H . . 2.800 2.445 2.287 2.632 . 0 0 "[ . 1 . 2 ]" 2
778 2 25 LEU QD 2 26 ALA H . . 6.310 3.695 2.548 4.172 . 0 0 "[ . 1 . 2 ]" 2
779 2 26 ALA H 2 27 SER H . . 2.800 2.558 2.398 2.764 . 0 0 "[ . 1 . 2 ]" 2
780 2 26 ALA MB 2 27 SER H . . 4.970 2.590 2.482 2.747 . 0 0 "[ . 1 . 2 ]" 2
781 2 27 SER H 2 28 PHE H . . 2.800 2.328 2.216 2.456 . 0 0 "[ . 1 . 2 ]" 2
782 2 27 SER HA 2 28 PHE H . . 3.500 3.528 3.500 3.562 0.062 3 0 "[ . 1 . 2 ]" 2
783 2 28 PHE H 2 29 GLU H . . 2.800 2.779 2.567 2.874 0.074 20 0 "[ . 1 . 2 ]" 2
784 2 28 PHE QB 2 29 GLU H . . 4.860 2.647 2.354 3.018 . 0 0 "[ . 1 . 2 ]" 2
785 2 28 PHE QD 2 29 GLU H . . 5.630 2.331 1.884 2.878 . 0 0 "[ . 1 . 2 ]" 2
786 2 28 PHE QD 2 29 GLU QG . . 6.510 3.369 2.071 4.299 . 0 0 "[ . 1 . 2 ]" 2
787 2 28 PHE HA 2 29 GLU QG . . 7.000 5.873 5.086 6.362 . 0 0 "[ . 1 . 2 ]" 2
788 2 29 GLU H 2 30 LYS H . . 2.800 2.356 2.134 2.574 . 0 0 "[ . 1 . 2 ]" 2
789 2 29 GLU HA 2 30 LYS H . . 3.500 3.497 3.454 3.533 0.033 2 0 "[ . 1 . 2 ]" 2
790 2 30 LYS QB 2 31 ILE H . . 4.210 2.889 2.736 3.005 . 0 0 "[ . 1 . 2 ]" 2
791 2 31 ILE H 2 32 ILE H . . 2.800 2.048 1.928 2.226 . 0 0 "[ . 1 . 2 ]" 2
792 2 33 THR H 2 34 GLU H . . 2.800 2.567 2.361 2.714 . 0 0 "[ . 1 . 2 ]" 2
793 2 33 THR HB 2 34 GLU H . . 3.500 3.184 2.866 3.526 0.026 4 0 "[ . 1 . 2 ]" 2
794 2 33 THR HA 2 34 GLU H . . 3.500 3.553 3.499 3.583 0.083 2 0 "[ . 1 . 2 ]" 2
795 2 33 THR MG 2 34 GLU HA . . 6.030 3.117 2.910 5.167 . 0 0 "[ . 1 . 2 ]" 2
796 2 33 THR MG 2 34 GLU H . . 4.530 2.444 2.006 3.947 . 0 0 "[ . 1 . 2 ]" 2
797 2 34 GLU H 2 35 THR H . . 2.800 2.689 2.450 2.846 0.046 14 0 "[ . 1 . 2 ]" 2
798 2 35 THR H 2 36 VAL H . . 4.000 2.811 2.555 3.269 . 0 0 "[ . 1 . 2 ]" 2
799 2 35 THR MG 2 36 VAL H . . 5.030 3.053 2.627 3.424 . 0 0 "[ . 1 . 2 ]" 2
800 2 36 VAL H 2 37 ALA H . . 4.000 2.684 2.588 2.809 . 0 0 "[ . 1 . 2 ]" 2
801 2 36 VAL HB 2 37 ALA H . . 3.500 2.855 2.476 3.724 0.224 20 0 "[ . 1 . 2 ]" 2
802 2 37 ALA MB 2 38 LYS HA . . 6.030 4.097 3.942 4.191 . 0 0 "[ . 1 . 2 ]" 2
803 2 37 ALA H 2 38 LYS H . . 2.800 2.499 2.332 2.729 . 0 0 "[ . 1 . 2 ]" 2
804 2 37 ALA MB 2 38 LYS H . . 4.380 3.192 2.651 3.440 . 0 0 "[ . 1 . 2 ]" 2
805 2 38 LYS H 2 39 GLY H . . 2.800 1.970 1.817 2.244 . 0 0 "[ . 1 . 2 ]" 2
806 2 38 LYS QB 2 39 GLY H . . 4.880 2.818 2.533 3.429 . 0 0 "[ . 1 . 2 ]" 2
807 2 38 LYS H 2 40 ASP H . . 3.500 3.488 3.020 3.659 0.159 20 0 "[ . 1 . 2 ]" 2
808 2 39 GLY H 2 40 ASP H . . 2.800 2.111 1.913 2.613 . 0 0 "[ . 1 . 2 ]" 2
809 2 39 GLY QA 2 40 ASP H . . 4.020 2.777 2.672 2.864 . 0 0 "[ . 1 . 2 ]" 2
810 2 38 LYS H 2 39 GLY QA . . 4.520 3.993 3.870 4.207 . 0 0 "[ . 1 . 2 ]" 2
811 2 38 LYS HA 2 39 GLY QA . . 4.500 4.187 4.158 4.202 . 0 0 "[ . 1 . 2 ]" 2
812 2 40 ASP HA 2 41 LYS H . . 2.800 2.296 2.178 2.577 . 0 0 "[ . 1 . 2 ]" 2
813 2 40 ASP QB 2 41 LYS H . . 4.120 3.141 2.386 3.646 . 0 0 "[ . 1 . 2 ]" 2
814 2 41 LYS HA 2 42 VAL H . . 2.800 2.311 2.180 2.605 . 0 0 "[ . 1 . 2 ]" 2
815 2 41 LYS QB 2 42 VAL H . . 4.620 3.767 3.524 3.889 . 0 0 "[ . 1 . 2 ]" 2
816 2 42 VAL HA 2 43 GLN H . . 2.800 2.263 2.204 2.364 . 0 0 "[ . 1 . 2 ]" 2
817 2 42 VAL QG 2 43 GLN H . . 5.730 2.562 2.074 3.546 . 0 0 "[ . 1 . 2 ]" 2
818 2 43 GLN HA 2 44 LEU H . . 2.800 2.345 2.207 2.521 . 0 0 "[ . 1 . 2 ]" 2
819 2 43 GLN QB 2 44 LEU H . . 4.620 3.342 2.291 4.030 . 0 0 "[ . 1 . 2 ]" 2
820 2 43 GLN HA 2 44 LEU QD . . 7.810 4.225 3.333 4.980 . 0 0 "[ . 1 . 2 ]" 2
821 2 44 LEU HA 2 45 THR MG . . 5.030 3.283 2.999 4.040 . 0 0 "[ . 1 . 2 ]" 2
822 2 47 PHE HA 2 48 LEU H . . 3.500 3.534 3.500 3.613 0.113 11 0 "[ . 1 . 2 ]" 2
823 2 47 PHE QB 2 48 LEU H . . 4.120 3.564 3.190 3.734 . 0 0 "[ . 1 . 2 ]" 2
824 2 47 PHE QD 2 48 LEU H . . 5.630 3.017 1.737 3.411 0.063 3 0 "[ . 1 . 2 ]" 2
825 2 47 PHE QD 2 48 LEU HG . . 5.630 2.658 1.728 4.945 0.072 22 0 "[ . 1 . 2 ]" 2
826 2 47 PHE QE 2 48 LEU HG . . 5.630 2.271 1.698 4.094 0.102 15 0 "[ . 1 . 2 ]" 2
827 2 47 PHE HZ 2 48 LEU HG . . 5.000 3.997 2.789 4.886 . 0 0 "[ . 1 . 2 ]" 2
828 2 48 LEU HA 2 49 ASN H . . 2.800 2.238 2.129 2.496 . 0 0 "[ . 1 . 2 ]" 2
829 2 48 LEU QD 2 49 ASN H . . 5.810 2.761 1.834 3.392 . 0 0 "[ . 1 . 2 ]" 2
830 2 49 ASN HA 2 50 ILE H . . 2.800 2.391 2.218 2.678 . 0 0 "[ . 1 . 2 ]" 2
831 2 49 ASN QB 2 50 ILE H . . 4.620 3.758 2.316 4.040 . 0 0 "[ . 1 . 2 ]" 2
832 2 50 ILE HA 2 51 LYS H . . 2.800 2.297 2.191 2.477 . 0 0 "[ . 1 . 2 ]" 2
833 2 50 ILE MD 2 51 LYS H . . 5.030 3.570 1.969 4.357 . 0 0 "[ . 1 . 2 ]" 2
834 2 51 LYS HA 2 52 PRO QD . . 3.420 1.927 1.839 1.974 . 0 0 "[ . 1 . 2 ]" 2
835 2 51 LYS QB 2 52 PRO QD . . 5.480 3.051 2.752 3.287 . 0 0 "[ . 1 . 2 ]" 2
836 2 52 PRO HA 2 53 VAL H . . 2.800 2.236 2.133 2.356 . 0 0 "[ . 1 . 2 ]" 2
837 2 53 VAL HA 2 54 ALA H . . 2.800 2.220 2.104 2.897 0.097 23 0 "[ . 1 . 2 ]" 2
838 2 53 VAL QG 2 54 ALA H . . 5.730 3.540 2.409 3.662 . 0 0 "[ . 1 . 2 ]" 2
839 2 53 VAL HB 2 54 ALA H . . 3.500 3.490 1.960 3.702 0.202 12 0 "[ . 1 . 2 ]" 2
840 2 54 ALA HA 2 55 ARG H . . 2.800 2.205 2.090 2.320 . 0 0 "[ . 1 . 2 ]" 2
841 2 54 ALA MB 2 55 ARG H . . 4.470 3.209 2.547 3.613 . 0 0 "[ . 1 . 2 ]" 2
842 2 55 ARG HA 2 56 GLN QG . . 4.880 3.996 3.467 4.499 . 0 0 "[ . 1 . 2 ]" 2
843 2 57 ALA MB 2 58 ARG H . . 4.470 2.519 1.733 3.716 0.067 7 0 "[ . 1 . 2 ]" 2
844 2 61 PHE HA 2 62 ASN H . . 2.800 2.432 2.142 2.832 0.032 2 0 "[ . 1 . 2 ]" 2
845 2 61 PHE QB 2 62 ASN H . . 4.860 2.843 1.923 3.923 . 0 0 "[ . 1 . 2 ]" 2
846 2 62 ASN HA 2 63 PRO QD . . 3.800 3.321 2.267 3.559 . 0 0 "[ . 1 . 2 ]" 2
847 2 64 GLN HA 2 65 THR H . . 3.500 3.139 2.571 3.550 0.050 5 0 "[ . 1 . 2 ]" 2
848 2 64 GLN H 2 65 THR H . . 3.500 2.967 1.857 4.156 0.656 6 1 "[ .+ 1 . 2 ]" 2
849 2 64 GLN QB 2 65 THR H . . 4.360 2.830 1.537 3.940 0.263 23 0 "[ . 1 . 2 ]" 2
850 2 64 GLN QB 2 65 THR HG1 . . 5.410 3.340 2.389 3.837 . 0 0 "[ . 1 . 2 ]" 2
851 2 65 THR H 2 66 GLN H . . 3.500 2.521 1.727 3.414 0.073 15 0 "[ . 1 . 2 ]" 2
852 2 65 THR HA 2 66 GLN H . . 3.500 3.027 2.384 3.546 0.046 1 0 "[ . 1 . 2 ]" 2
853 2 66 GLN HA 2 67 GLU H . . 3.500 2.931 2.089 3.503 0.003 4 0 "[ . 1 . 2 ]" 2
854 2 67 GLU HA 2 68 ALA H . . 2.800 2.406 2.176 2.900 0.100 15 0 "[ . 1 . 2 ]" 2
855 2 67 GLU QB 2 68 ALA H . . 4.860 3.748 1.898 4.039 . 0 0 "[ . 1 . 2 ]" 2
856 2 67 GLU QG 2 68 ALA H . . 4.880 3.997 2.495 4.333 . 0 0 "[ . 1 . 2 ]" 2
857 2 68 ALA HA 2 69 LEU H . . 3.500 2.276 2.080 3.225 . 0 0 "[ . 1 . 2 ]" 2
858 2 68 ALA MB 2 69 LEU H . . 4.470 3.210 2.496 3.649 . 0 0 "[ . 1 . 2 ]" 2
859 2 69 LEU HA 2 70 GLU H . . 3.500 2.696 2.217 3.337 . 0 0 "[ . 1 . 2 ]" 2
860 2 69 LEU QD 2 70 GLU H . . 6.310 3.681 2.565 4.547 . 0 0 "[ . 1 . 2 ]" 2
861 2 71 ILE HA 2 72 ALA H . . 2.800 2.761 2.129 3.079 0.279 14 0 "[ . 1 . 2 ]" 2
862 2 71 ILE HB 2 72 ALA H . . 3.500 2.404 1.717 3.911 0.411 1 0 "[ . 1 . 2 ]" 2
863 2 71 ILE MG 2 72 ALA H . . 4.530 3.532 2.196 4.214 . 0 0 "[ . 1 . 2 ]" 2
864 2 71 ILE MD 2 72 ALA H . . 5.030 2.557 1.717 4.039 0.083 14 0 "[ . 1 . 2 ]" 2
865 2 71 ILE HA 2 72 ALA MB . . 4.700 3.885 3.644 4.110 . 0 0 "[ . 1 . 2 ]" 2
866 2 72 ALA HA 2 73 PRO QD . . 3.420 2.106 1.734 2.977 0.066 23 0 "[ . 1 . 2 ]" 2
867 2 72 ALA H 2 73 PRO QD . . 4.620 3.870 1.905 4.333 . 0 0 "[ . 1 . 2 ]" 2
868 2 72 ALA MB 2 73 PRO QD . . 4.710 2.630 1.436 3.586 0.364 12 0 "[ . 1 . 2 ]" 2
869 2 73 PRO HA 2 74 SER H . . 2.800 2.310 2.169 2.847 0.047 21 0 "[ . 1 . 2 ]" 2
870 2 74 SER HA 2 75 VAL H . . 2.800 2.492 2.215 3.063 0.263 10 0 "[ . 1 . 2 ]" 2
871 2 74 SER QB 2 75 VAL H . . 4.860 3.083 1.876 3.994 . 0 0 "[ . 1 . 2 ]" 2
872 2 75 VAL HA 2 76 GLY H . . 3.500 2.441 2.042 2.706 . 0 0 "[ . 1 . 2 ]" 2
873 2 75 VAL QG 2 76 GLY H . . 5.030 2.083 1.823 2.931 . 0 0 "[ . 1 . 2 ]" 2
874 2 76 GLY QA 2 77 VAL H . . 3.320 2.334 2.151 2.673 . 0 0 "[ . 1 . 2 ]" 2
875 2 76 GLY H 2 77 VAL H . . 4.000 3.696 2.927 4.078 0.078 11 0 "[ . 1 . 2 ]" 2
876 2 77 VAL HA 2 78 SER H . . 2.800 2.395 2.236 2.551 . 0 0 "[ . 1 . 2 ]" 2
877 2 77 VAL HB 2 78 SER H . . 5.000 4.564 4.396 4.728 . 0 0 "[ . 1 . 2 ]" 2
878 2 77 VAL QG 2 78 SER H . . 5.730 3.416 3.160 3.629 . 0 0 "[ . 1 . 2 ]" 2
879 2 79 VAL HA 2 80 LYS H . . 2.800 2.586 2.409 2.891 0.091 6 0 "[ . 1 . 2 ]" 2
880 2 79 VAL HB 2 80 LYS H . . 4.000 3.144 1.806 3.892 . 0 0 "[ . 1 . 2 ]" 2
881 2 79 VAL QG 2 80 LYS H . . 5.730 2.102 1.698 3.112 0.102 1 0 "[ . 1 . 2 ]" 2
882 2 80 LYS HA 2 81 PRO QD . . 3.420 2.273 1.817 3.432 0.012 15 0 "[ . 1 . 2 ]" 2
883 2 80 LYS H 2 81 PRO QD . . 4.620 3.789 1.361 4.325 0.439 15 0 "[ . 1 . 2 ]" 2
884 2 81 PRO HA 2 82 GLY H . . 2.800 2.280 2.123 2.664 . 0 0 "[ . 1 . 2 ]" 2
885 2 82 GLY QA 2 83 GLU H . . 4.020 2.398 2.218 2.826 . 0 0 "[ . 1 . 2 ]" 2
886 2 83 GLU HA 2 84 SER H . . 3.500 3.182 2.571 3.578 0.078 7 0 "[ . 1 . 2 ]" 2
887 2 83 GLU QB 2 84 SER H . . 4.360 3.591 2.316 4.003 . 0 0 "[ . 1 . 2 ]" 2
888 2 83 GLU QG 2 84 SER H . . 4.380 3.094 1.964 4.276 . 0 0 "[ . 1 . 2 ]" 2
889 2 84 SER H 2 85 LEU H . . 2.800 2.957 2.508 3.343 0.543 9 1 "[ . +1 . 2 ]" 2
890 2 84 SER QB 2 85 LEU H . . 4.360 3.143 2.516 3.984 . 0 0 "[ . 1 . 2 ]" 2
891 2 85 LEU H 2 86 LYS H . . 2.800 2.460 2.250 2.676 . 0 0 "[ . 1 . 2 ]" 2
892 2 85 LEU QB 2 86 LYS H . . 4.860 3.103 2.581 3.839 . 0 0 "[ . 1 . 2 ]" 2
893 2 85 LEU QD 2 86 LYS H . . 6.310 3.605 2.461 4.362 . 0 0 "[ . 1 . 2 ]" 2
894 2 86 LYS H 2 87 LYS H . . 2.800 2.430 2.278 2.624 . 0 0 "[ . 1 . 2 ]" 2
895 2 86 LYS HA 2 87 LYS H . . 3.500 3.467 3.397 3.545 0.045 12 0 "[ . 1 . 2 ]" 2
896 2 87 LYS H 2 88 ALA H . . 2.800 2.399 2.161 2.514 . 0 0 "[ . 1 . 2 ]" 2
897 2 87 LYS HA 2 88 ALA H . . 3.500 3.531 3.494 3.549 0.049 22 0 "[ . 1 . 2 ]" 2
898 2 88 ALA H 2 89 ALA H . . 2.800 2.378 2.216 2.483 . 0 0 "[ . 1 . 2 ]" 2
899 2 88 ALA HA 2 89 ALA H . . 3.500 3.508 3.460 3.536 0.036 14 0 "[ . 1 . 2 ]" 2
900 2 88 ALA MB 2 89 ALA H . . 4.470 2.641 2.441 2.922 . 0 0 "[ . 1 . 2 ]" 2
901 2 89 ALA H 2 90 GLU H . . 2.800 2.696 2.420 2.843 0.043 19 0 "[ . 1 . 2 ]" 2
902 2 89 ALA HA 2 90 GLU H . . 3.500 3.554 3.503 3.579 0.079 15 0 "[ . 1 . 2 ]" 2
903 2 90 GLU H 2 91 GLY H . . 2.800 2.547 2.363 2.618 . 0 0 "[ . 1 . 2 ]" 2
904 2 90 GLU HA 2 91 GLY H . . 3.500 3.501 3.461 3.520 0.020 18 0 "[ . 1 . 2 ]" 2
905 2 91 GLY H 2 92 LEU H . . 2.800 2.706 2.495 2.845 0.045 6 0 "[ . 1 . 2 ]" 2
906 2 91 GLY QA 2 92 LEU H . . 3.320 2.874 2.762 3.060 . 0 0 "[ . 1 . 2 ]" 2
907 2 92 LEU H 2 93 LYS H . . 2.800 2.876 2.764 3.002 0.202 19 0 "[ . 1 . 2 ]" 2
908 2 92 LEU HA 2 93 LYS H . . 3.500 3.227 3.079 3.590 0.090 1 0 "[ . 1 . 2 ]" 2
909 2 92 LEU QD 2 93 LYS H . . 6.310 3.805 3.521 4.024 . 0 0 "[ . 1 . 2 ]" 2
910 2 92 LEU QB 2 93 LYS H . . 4.860 3.695 1.911 4.018 . 0 0 "[ . 1 . 2 ]" 2
911 2 94 TYR H 2 95 GLU H . . 3.500 3.013 2.477 3.498 . 0 0 "[ . 1 . 2 ]" 2
912 2 94 TYR QB 2 95 GLU H . . 4.860 2.870 1.909 3.463 . 0 0 "[ . 1 . 2 ]" 2
913 2 94 TYR HA 2 95 GLU H . . 3.500 3.563 3.539 3.636 0.136 5 0 "[ . 1 . 2 ]" 2
914 2 95 GLU HA 2 96 ASP H . . 3.500 3.520 2.786 3.568 0.068 9 0 "[ . 1 . 2 ]" 2
915 2 95 GLU H 2 96 ASP H . . 2.800 2.725 2.447 2.867 0.067 5 0 "[ . 1 . 2 ]" 2
916 2 94 TYR QD 2 95 GLU QG . . 8.010 3.872 2.192 5.587 . 0 0 "[ . 1 . 2 ]" 2
917 2 94 TYR QE 2 95 GLU QG . . 8.000 4.678 2.141 6.200 . 0 0 "[ . 1 . 2 ]" 2
918 2 96 ASP H 2 97 PHE H . . 3.500 2.612 2.487 3.087 . 0 0 "[ . 1 . 2 ]" 2
919 2 96 ASP HA 2 97 PHE H . . 3.500 3.495 2.916 3.543 0.043 13 0 "[ . 1 . 2 ]" 2
920 2 96 ASP QB 2 97 PHE H . . 4.860 2.737 2.534 3.952 . 0 0 "[ . 1 . 2 ]" 2
921 2 97 PHE H 2 98 ALA H . . 2.800 2.379 2.231 2.538 . 0 0 "[ . 1 . 2 ]" 2
922 2 97 PHE HA 2 98 ALA H . . 3.500 3.452 2.767 3.526 0.026 1 0 "[ . 1 . 2 ]" 2
923 2 97 PHE QB 2 98 ALA H . . 4.860 2.929 2.631 3.820 . 0 0 "[ . 1 . 2 ]" 2
924 2 98 ALA HA 2 99 LYS H . . 3.500 3.542 3.460 3.572 0.072 6 0 "[ . 1 . 2 ]" 2
925 2 98 ALA H 2 99 LYS H . . 3.500 2.651 2.242 3.001 . 0 0 "[ . 1 . 2 ]" 2
926 2 98 ALA MB 2 99 LYS H . . 4.700 2.437 1.947 2.926 . 0 0 "[ . 1 . 2 ]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 569
_Distance_constraint_stats_list.Viol_count 1547
_Distance_constraint_stats_list.Viol_total 4309.309
_Distance_constraint_stats_list.Viol_max 0.750
_Distance_constraint_stats_list.Viol_rms 0.0533
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0143
_Distance_constraint_stats_list.Viol_average_violations_only 0.1211
_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 2 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 6 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 9 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 10 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 14 THR 0.129 0.083 1 0 "[ . 1 . 2 ]"
1 20 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 24 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 28 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 32 ILE 1.222 0.187 15 0 "[ . 1 . 2 ]"
1 33 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 38 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 42 VAL 0.460 0.235 9 0 "[ . 1 . 2 ]"
1 43 GLN 0.503 0.080 3 0 "[ . 1 . 2 ]"
1 47 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 48 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 52 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 73 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 74 SER 0.117 0.117 14 0 "[ . 1 . 2 ]"
1 77 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 85 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 88 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 89 ALA 0.100 0.100 11 0 "[ . 1 . 2 ]"
1 94 TYR 1.356 0.170 9 0 "[ . 1 . 2 ]"
1 97 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 1 MET 0.958 0.235 9 0 "[ . 1 . 2 ]"
2 2 ASN 7.229 0.298 10 0 "[ . 1 . 2 ]"
2 3 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 4 THR 1.877 0.129 2 0 "[ . 1 . 2 ]"
2 5 GLU 0.673 0.219 3 0 "[ . 1 . 2 ]"
2 6 LEU 7.881 0.298 10 0 "[ . 1 . 2 ]"
2 7 ILE 1.270 0.114 13 0 "[ . 1 . 2 ]"
2 8 LYS 4.409 0.281 1 0 "[ . 1 . 2 ]"
2 9 ALA 2.983 0.225 13 0 "[ . 1 . 2 ]"
2 10 ILE 4.405 0.257 16 0 "[ . 1 . 2 ]"
2 11 ALA 6.019 0.281 1 0 "[ . 1 . 2 ]"
2 12 GLN 6.564 0.251 10 0 "[ . 1 . 2 ]"
2 13 ASP 6.046 0.257 16 0 "[ . 1 . 2 ]"
2 14 THR 1.266 0.148 23 0 "[ . 1 . 2 ]"
2 15 GLY 2.593 0.255 6 0 "[ . 1 . 2 ]"
2 16 LEU 10.933 0.602 19 2 "[ . 1 .- +2 ]"
2 17 THR 1.387 0.104 4 0 "[ . 1 . 2 ]"
2 18 GLN 1.274 0.104 4 0 "[ . 1 . 2 ]"
2 19 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 20 SER 11.876 0.583 20 17 "[** *** * 1* *******+ *-]"
2 21 VAL 8.869 0.412 13 0 "[ . 1 . 2 ]"
2 22 SER 21.459 0.583 20 17 "[** *** * 1* *******+ *-]"
2 23 LYS 1.927 0.151 20 0 "[ . 1 . 2 ]"
2 24 MET 7.793 0.390 7 0 "[ . 1 . 2 ]"
2 25 LEU 6.923 0.207 19 0 "[ . 1 . 2 ]"
2 26 ALA 0.046 0.036 3 0 "[ . 1 . 2 ]"
2 27 SER 0.796 0.150 2 0 "[ . 1 . 2 ]"
2 28 PHE 7.038 0.293 16 0 "[ . 1 . 2 ]"
2 29 GLU 0.030 0.029 14 0 "[ . 1 . 2 ]"
2 30 LYS 2.046 0.181 23 0 "[ . 1 . 2 ]"
2 31 ILE 13.388 0.293 16 0 "[ . 1 . 2 ]"
2 32 ILE 15.963 0.456 9 0 "[ . 1 . 2 ]"
2 33 THR 6.774 0.448 22 0 "[ . 1 . 2 ]"
2 34 GLU 0.200 0.127 23 0 "[ . 1 . 2 ]"
2 35 THR 12.619 0.349 4 0 "[ . 1 . 2 ]"
2 36 VAL 6.793 0.456 9 0 "[ . 1 . 2 ]"
2 37 ALA 0.034 0.030 20 0 "[ . 1 . 2 ]"
2 38 LYS 3.534 0.349 4 0 "[ . 1 . 2 ]"
2 39 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 40 ASP 7.161 0.229 23 0 "[ . 1 . 2 ]"
2 41 LYS 2.241 0.275 14 0 "[ . 1 . 2 ]"
2 42 VAL 4.905 0.303 21 0 "[ . 1 . 2 ]"
2 43 GLN 0.330 0.095 21 0 "[ . 1 . 2 ]"
2 44 LEU 1.443 0.117 10 0 "[ . 1 . 2 ]"
2 45 THR 1.652 0.218 7 0 "[ . 1 . 2 ]"
2 47 PHE 5.208 0.225 3 0 "[ . 1 . 2 ]"
2 48 LEU 2.573 0.225 3 0 "[ . 1 . 2 ]"
2 49 ASN 3.365 0.358 6 0 "[ . 1 . 2 ]"
2 50 ILE 3.465 0.328 11 0 "[ . 1 . 2 ]"
2 51 LYS 11.867 0.410 19 0 "[ . 1 . 2 ]"
2 52 PRO 2.277 0.223 20 0 "[ . 1 . 2 ]"
2 53 VAL 10.632 0.394 14 0 "[ . 1 . 2 ]"
2 54 ALA 2.296 0.224 5 0 "[ . 1 . 2 ]"
2 55 ARG 1.945 0.750 12 1 "[ . 1 + . 2 ]"
2 56 GLN 0.018 0.018 14 0 "[ . 1 . 2 ]"
2 57 ALA 1.351 0.244 1 0 "[ . 1 . 2 ]"
2 58 ARG 1.221 0.244 1 0 "[ . 1 . 2 ]"
2 59 LYS 0.277 0.221 4 0 "[ . 1 . 2 ]"
2 60 GLY 0.564 0.131 7 0 "[ . 1 . 2 ]"
2 61 PHE 5.940 0.477 17 0 "[ . 1 . 2 ]"
2 62 ASN 0.735 0.735 4 1 "[ +. 1 . 2 ]"
2 64 GLN 0.450 0.297 4 0 "[ . 1 . 2 ]"
2 66 GLN 0.889 0.212 17 0 "[ . 1 . 2 ]"
2 67 GLU 2.500 0.735 4 1 "[ +. 1 . 2 ]"
2 68 ALA 2.745 0.383 15 0 "[ . 1 . 2 ]"
2 69 LEU 4.725 0.477 17 0 "[ . 1 . 2 ]"
2 70 GLU 0.350 0.107 21 0 "[ . 1 . 2 ]"
2 71 ILE 1.148 0.220 14 0 "[ . 1 . 2 ]"
2 72 ALA 0.154 0.082 12 0 "[ . 1 . 2 ]"
2 73 PRO 0.582 0.137 7 0 "[ . 1 . 2 ]"
2 74 SER 2.150 0.750 12 1 "[ . 1 + . 2 ]"
2 75 VAL 3.740 0.333 7 0 "[ . 1 . 2 ]"
2 76 GLY 7.809 0.394 14 0 "[ . 1 . 2 ]"
2 77 VAL 6.303 0.234 1 0 "[ . 1 . 2 ]"
2 78 SER 3.677 0.194 8 0 "[ . 1 . 2 ]"
2 79 VAL 7.435 0.410 19 0 "[ . 1 . 2 ]"
2 80 LYS 0.207 0.132 11 0 "[ . 1 . 2 ]"
2 81 PRO 0.032 0.032 17 0 "[ . 1 . 2 ]"
2 82 GLY 1.567 0.358 6 0 "[ . 1 . 2 ]"
2 83 GLU 0.072 0.070 3 0 "[ . 1 . 2 ]"
2 84 SER 0.216 0.068 7 0 "[ . 1 . 2 ]"
2 85 LEU 3.399 0.272 6 0 "[ . 1 . 2 ]"
2 86 LYS 4.931 0.331 3 0 "[ . 1 . 2 ]"
2 87 LYS 5.312 0.344 18 0 "[ . 1 . 2 ]"
2 88 ALA 4.570 0.331 3 0 "[ . 1 . 2 ]"
2 89 ALA 13.109 0.344 18 0 "[ . 1 . 2 ]"
2 90 GLU 0.269 0.088 14 0 "[ . 1 . 2 ]"
2 92 LEU 4.092 0.321 9 0 "[ . 1 . 2 ]"
2 93 LYS 0.841 0.147 5 0 "[ . 1 . 2 ]"
2 94 TYR 0.665 0.147 5 0 "[ . 1 . 2 ]"
2 95 GLU 0.878 0.348 5 0 "[ . 1 . 2 ]"
2 96 ASP 0.024 0.024 14 0 "[ . 1 . 2 ]"
2 97 PHE 0.528 0.181 5 0 "[ . 1 . 2 ]"
2 98 ALA 0.350 0.348 5 0 "[ . 1 . 2 ]"
2 99 LYS 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 2 2 ASN H 2 4 THR H . . 5.000 3.533 2.793 4.304 . 0 0 "[ . 1 . 2 ]" 3
2 2 2 ASN H 2 5 GLU H . . 5.500 2.756 2.391 3.115 . 0 0 "[ . 1 . 2 ]" 3
3 2 4 THR MG 2 8 LYS QE . . 5.910 4.096 3.951 4.213 . 0 0 "[ . 1 . 2 ]" 3
4 2 5 GLU HA 2 8 LYS H . . 4.000 3.517 3.253 3.752 . 0 0 "[ . 1 . 2 ]" 3
5 2 5 GLU HA 2 8 LYS QB . . 4.880 3.243 2.232 4.138 . 0 0 "[ . 1 . 2 ]" 3
6 2 9 ALA MB 2 12 GLN QB . . 6.910 4.660 4.241 5.161 . 0 0 "[ . 1 . 2 ]" 3
7 2 6 LEU HA 2 9 ALA MB . . 3.830 1.831 1.771 1.914 0.029 15 0 "[ . 1 . 2 ]" 3
8 2 7 ILE HA 2 10 ILE HB . . 4.000 3.269 2.780 3.800 . 0 0 "[ . 1 . 2 ]" 3
9 2 6 LEU HA 2 10 ILE MD . . 6.030 4.276 3.791 4.808 . 0 0 "[ . 1 . 2 ]" 3
10 2 11 ALA H 2 13 ASP H . . 5.000 4.116 3.922 4.238 . 0 0 "[ . 1 . 2 ]" 3
11 2 8 LYS H 2 11 ALA MB . . 4.500 3.740 3.664 3.846 . 0 0 "[ . 1 . 2 ]" 3
12 2 9 ALA HA 2 12 GLN QG . . 4.530 3.579 2.197 4.166 . 0 0 "[ . 1 . 2 ]" 3
13 2 10 ILE HA 2 13 ASP QB . . 4.880 2.090 1.860 2.443 . 0 0 "[ . 1 . 2 ]" 3
14 2 11 ALA HA 2 14 THR MG . . 5.830 4.399 3.142 5.107 . 0 0 "[ . 1 . 2 ]" 3
15 2 10 ILE MD 2 13 ASP QB . . 5.410 3.266 2.762 3.838 . 0 0 "[ . 1 . 2 ]" 3
16 2 14 THR HA 2 16 LEU QD . . 5.110 2.226 1.652 3.178 0.148 23 0 "[ . 1 . 2 ]" 3
17 2 17 THR MG 2 20 SER H . . 5.030 4.392 4.367 4.424 . 0 0 "[ . 1 . 2 ]" 3
18 2 16 LEU QD 2 18 GLN HA . . 8.310 4.676 3.557 5.212 . 0 0 "[ . 1 . 2 ]" 3
19 2 19 VAL QG 2 23 LYS HA . . 8.400 6.175 6.002 6.338 . 0 0 "[ . 1 . 2 ]" 3
20 2 19 VAL QG 2 23 LYS H . . 6.310 4.718 4.625 4.802 . 0 0 "[ . 1 . 2 ]" 3
21 1 24 MET H 2 19 VAL QG . . 7.900 5.837 5.757 5.928 . 0 0 "[ . 1 . 2 ]" 3
22 2 21 VAL QG 2 24 MET ME . . 7.260 3.004 2.627 3.258 . 0 0 "[ . 1 . 2 ]" 3
23 2 22 SER HA 2 25 LEU H . . 4.000 4.102 4.017 4.184 0.184 13 0 "[ . 1 . 2 ]" 3
24 2 22 SER QB 2 25 LEU H . . 6.000 5.293 5.150 5.424 . 0 0 "[ . 1 . 2 ]" 3
25 2 22 SER HA 2 25 LEU QB . . 4.880 3.633 3.204 4.038 . 0 0 "[ . 1 . 2 ]" 3
26 2 15 GLY H 2 24 MET ME . . 8.400 7.017 6.892 7.132 . 0 0 "[ . 1 . 2 ]" 3
27 2 21 VAL HA 2 24 MET ME . . 5.030 1.810 1.410 2.023 0.390 7 0 "[ . 1 . 2 ]" 3
28 2 24 MET HA 2 27 SER H . . 4.000 3.445 3.177 3.842 . 0 0 "[ . 1 . 2 ]" 3
29 2 24 MET ME 2 28 PHE QE . . 8.160 6.320 6.035 6.489 . 0 0 "[ . 1 . 2 ]" 3
30 2 24 MET ME 2 28 PHE QD . . 7.100 5.093 4.812 5.354 . 0 0 "[ . 1 . 2 ]" 3
31 2 24 MET ME 2 28 PHE H . . 6.000 4.783 4.359 4.973 . 0 0 "[ . 1 . 2 ]" 3
32 2 7 ILE H 2 25 LEU QD . . 8.200 2.611 2.161 3.894 . 0 0 "[ . 1 . 2 ]" 3
33 2 23 LYS H 2 25 LEU H . . 5.000 4.057 3.856 4.394 . 0 0 "[ . 1 . 2 ]" 3
34 2 25 LEU QD 2 28 PHE QD . . 7.230 3.065 2.135 3.901 . 0 0 "[ . 1 . 2 ]" 3
35 2 25 LEU QD 2 28 PHE QE . . 7.930 3.878 2.418 5.053 . 0 0 "[ . 1 . 2 ]" 3
36 2 25 LEU QB 2 28 PHE QD . . 6.690 3.938 2.799 4.685 . 0 0 "[ . 1 . 2 ]" 3
37 2 25 LEU QB 2 28 PHE QB . . 6.760 3.585 3.420 3.836 . 0 0 "[ . 1 . 2 ]" 3
38 2 25 LEU QB 2 28 PHE HA . . 7.000 6.285 6.149 6.389 . 0 0 "[ . 1 . 2 ]" 3
39 2 25 LEU HA 2 29 GLU H . . 5.000 3.920 3.621 4.159 . 0 0 "[ . 1 . 2 ]" 3
40 2 23 LYS HA 2 26 ALA MB . . 3.830 2.054 1.807 2.535 . 0 0 "[ . 1 . 2 ]" 3
41 2 25 LEU H 2 27 SER H . . 5.000 3.657 3.389 3.875 . 0 0 "[ . 1 . 2 ]" 3
42 2 27 SER H 2 29 GLU H . . 5.000 4.113 3.737 4.393 . 0 0 "[ . 1 . 2 ]" 3
43 2 25 LEU HA 2 28 PHE QB . . 4.880 1.764 1.653 1.926 0.147 5 0 "[ . 1 . 2 ]" 3
44 2 28 PHE QB 2 31 ILE H . . 6.880 4.689 4.602 4.822 . 0 0 "[ . 1 . 2 ]" 3
45 2 26 ALA HA 2 29 GLU QG . . 7.000 5.231 4.435 5.982 . 0 0 "[ . 1 . 2 ]" 3
46 1 47 PHE HZ 2 29 GLU QG . . 4.380 3.188 2.033 3.942 . 0 0 "[ . 1 . 2 ]" 3
47 2 29 GLU QG 2 32 ILE HA . . 6.880 5.999 5.772 6.213 . 0 0 "[ . 1 . 2 ]" 3
48 2 29 GLU QG 2 32 ILE QG . . 6.910 4.010 3.217 5.095 . 0 0 "[ . 1 . 2 ]" 3
49 2 29 GLU QG 2 32 ILE MG . . 6.910 4.025 3.853 4.254 . 0 0 "[ . 1 . 2 ]" 3
50 2 29 GLU QG 2 32 ILE MD . . 6.910 4.905 4.380 5.245 . 0 0 "[ . 1 . 2 ]" 3
51 2 28 PHE H 2 30 LYS H . . 5.000 3.740 3.580 3.961 . 0 0 "[ . 1 . 2 ]" 3
52 2 30 LYS H 2 32 ILE H . . 5.000 3.886 3.795 4.110 . 0 0 "[ . 1 . 2 ]" 3
53 2 28 PHE HA 2 31 ILE HB . . 4.000 4.252 4.057 4.293 0.293 16 0 "[ . 1 . 2 ]" 3
54 2 29 GLU H 2 31 ILE H . . 5.000 3.722 3.507 3.973 . 0 0 "[ . 1 . 2 ]" 3
55 2 29 GLU QG 2 32 ILE H . . 5.880 4.547 4.307 4.787 . 0 0 "[ . 1 . 2 ]" 3
56 2 28 PHE QD 2 32 ILE HA . . 6.000 5.574 5.017 5.840 . 0 0 "[ . 1 . 2 ]" 3
57 2 28 PHE QE 2 32 ILE HA . . 6.400 5.632 5.281 5.888 . 0 0 "[ . 1 . 2 ]" 3
58 2 32 ILE HA 2 35 THR HB . . 4.000 3.103 2.685 3.467 . 0 0 "[ . 1 . 2 ]" 3
59 2 29 GLU H 2 33 THR MG . . 7.400 6.246 6.137 6.372 . 0 0 "[ . 1 . 2 ]" 3
60 2 29 GLU QG 2 33 THR MG . . 7.910 4.099 2.626 5.735 . 0 0 "[ . 1 . 2 ]" 3
61 2 29 GLU HA 2 33 THR MG . . 6.030 4.736 4.146 5.021 . 0 0 "[ . 1 . 2 ]" 3
62 2 33 THR MG 2 36 VAL QG . . 8.840 4.324 3.113 4.897 . 0 0 "[ . 1 . 2 ]" 3
63 2 34 GLU QG 2 37 ALA MB . . 8.200 4.285 3.895 4.941 . 0 0 "[ . 1 . 2 ]" 3
64 2 32 ILE HA 2 35 THR MG . . 6.030 4.402 3.900 4.794 . 0 0 "[ . 1 . 2 ]" 3
65 2 33 THR HA 2 36 VAL HB . . 4.000 3.423 2.553 4.327 0.327 22 0 "[ . 1 . 2 ]" 3
66 2 33 THR HB 2 37 ALA MB . . 7.200 5.633 4.143 6.034 . 0 0 "[ . 1 . 2 ]" 3
67 2 34 GLU HA 2 37 ALA MB . . 3.830 2.222 1.857 2.858 . 0 0 "[ . 1 . 2 ]" 3
68 2 35 THR H 2 39 GLY H . . 7.000 5.832 5.557 6.298 . 0 0 "[ . 1 . 2 ]" 3
69 2 44 LEU QD 2 47 PHE QD . . 7.230 3.495 3.223 3.722 . 0 0 "[ . 1 . 2 ]" 3
70 2 44 LEU QD 2 47 PHE QE . . 8.440 2.101 1.768 2.474 0.032 18 0 "[ . 1 . 2 ]" 3
71 2 44 LEU HG 2 47 PHE QD . . 7.310 5.337 4.537 5.930 . 0 0 "[ . 1 . 2 ]" 3
72 2 44 LEU QB 2 47 PHE QD . . 8.190 2.986 2.148 3.404 . 0 0 "[ . 1 . 2 ]" 3
73 2 44 LEU QD 2 48 LEU QD . . 8.120 2.108 1.755 2.803 0.045 12 0 "[ . 1 . 2 ]" 3
74 2 44 LEU QD 2 48 LEU HA . . 5.810 3.977 3.694 4.089 . 0 0 "[ . 1 . 2 ]" 3
75 2 44 LEU QD 2 48 LEU H . . 5.810 3.542 3.028 3.747 . 0 0 "[ . 1 . 2 ]" 3
76 2 44 LEU QB 2 48 LEU HG . . 5.760 3.828 3.589 4.070 . 0 0 "[ . 1 . 2 ]" 3
77 2 44 LEU QB 2 48 LEU QD . . 9.190 3.469 3.226 3.863 . 0 0 "[ . 1 . 2 ]" 3
78 2 45 THR MG 2 47 PHE HA . . 6.030 4.764 4.297 4.930 . 0 0 "[ . 1 . 2 ]" 3
79 2 45 THR MG 2 47 PHE QE . . 7.160 2.284 1.873 2.899 . 0 0 "[ . 1 . 2 ]" 3
80 2 45 THR MG 2 47 PHE QD . . 7.160 1.776 1.582 2.032 0.218 7 0 "[ . 1 . 2 ]" 3
81 2 48 LEU QD 2 50 ILE MG . . 8.400 4.517 2.382 5.369 . 0 0 "[ . 1 . 2 ]" 3
82 2 48 LEU QD 2 50 ILE HB . . 7.310 4.896 4.129 5.400 . 0 0 "[ . 1 . 2 ]" 3
83 2 48 LEU QD 2 50 ILE QG . . 8.340 3.366 2.221 4.933 . 0 0 "[ . 1 . 2 ]" 3
84 2 51 LYS QG 2 53 VAL QG . . 8.190 3.201 2.575 3.711 . 0 0 "[ . 1 . 2 ]" 3
85 2 51 LYS QE 2 53 VAL QG . . 6.690 2.097 1.829 2.376 . 0 0 "[ . 1 . 2 ]" 3
86 2 61 PHE QE 2 64 GLN HA . . 5.630 4.130 3.583 5.328 . 0 0 "[ . 1 . 2 ]" 3
87 2 61 PHE QD 2 64 GLN HA . . 6.000 4.810 3.133 6.297 0.297 4 0 "[ . 1 . 2 ]" 3
88 2 61 PHE QD 2 64 GLN QG . . 7.010 4.189 3.266 5.414 . 0 0 "[ . 1 . 2 ]" 3
89 2 61 PHE QE 2 64 GLN QG . . 7.010 3.821 2.112 4.807 . 0 0 "[ . 1 . 2 ]" 3
90 2 61 PHE QD 2 64 GLN QB . . 7.010 2.613 1.686 4.844 0.114 18 0 "[ . 1 . 2 ]" 3
91 2 61 PHE QE 2 64 GLN QB . . 7.010 2.364 1.822 5.588 . 0 0 "[ . 1 . 2 ]" 3
92 2 64 GLN HA 2 66 GLN QE . . 4.880 4.365 3.826 4.525 . 0 0 "[ . 1 . 2 ]" 3
93 2 85 LEU HA 2 88 ALA MB . . 3.830 2.424 2.056 2.870 . 0 0 "[ . 1 . 2 ]" 3
94 2 86 LYS QG 2 89 ALA MB . . 7.200 3.294 2.738 3.941 . 0 0 "[ . 1 . 2 ]" 3
95 2 88 ALA MB 2 89 ALA MB . . 6.760 3.746 3.612 3.849 . 0 0 "[ . 1 . 2 ]" 3
96 2 90 GLU H 2 93 LYS H . . 6.000 5.760 5.307 6.088 0.088 14 0 "[ . 1 . 2 ]" 3
97 2 89 ALA MB 2 92 LEU HG . . 5.200 4.127 3.823 4.479 . 0 0 "[ . 1 . 2 ]" 3
98 2 95 GLU QG 2 99 LYS QE . . 6.760 4.675 3.732 5.290 . 0 0 "[ . 1 . 2 ]" 3
99 2 93 LYS QB 2 97 PHE H . . 5.000 4.107 3.726 4.667 . 0 0 "[ . 1 . 2 ]" 3
100 2 94 TYR HA 2 97 PHE H . . 5.000 3.311 3.001 3.750 . 0 0 "[ . 1 . 2 ]" 3
101 2 94 TYR HA 2 97 PHE QB . . 5.880 2.616 2.134 5.131 . 0 0 "[ . 1 . 2 ]" 3
102 2 94 TYR QD 2 98 ALA MB . . 5.960 3.543 2.054 4.489 . 0 0 "[ . 1 . 2 ]" 3
103 2 94 TYR QE 2 98 ALA MB . . 5.960 3.228 2.251 4.189 . 0 0 "[ . 1 . 2 ]" 3
104 2 95 GLU HA 2 98 ALA MB . . 5.030 2.077 1.798 2.984 0.002 14 0 "[ . 1 . 2 ]" 3
105 2 1 MET ME 2 6 LEU HG . . 6.840 2.143 1.806 3.130 . 0 0 "[ . 1 . 2 ]" 3
106 2 1 MET ME 2 6 LEU HA . . 4.700 2.250 1.888 2.997 . 0 0 "[ . 1 . 2 ]" 3
107 2 1 MET ME 2 6 LEU H . . 4.530 3.545 3.448 3.682 . 0 0 "[ . 1 . 2 ]" 3
108 2 1 MET ME 2 6 LEU QD . . 6.840 1.875 1.678 2.713 0.122 11 0 "[ . 1 . 2 ]" 3
109 2 3 LYS QE 2 34 GLU QG . . 8.200 6.767 6.646 7.753 . 0 0 "[ . 1 . 2 ]" 3
110 2 7 ILE HA 2 21 VAL QG . . 5.810 3.804 3.299 4.182 . 0 0 "[ . 1 . 2 ]" 3
111 2 7 ILE MG 2 21 VAL HB . . 4.710 2.696 1.686 4.028 0.114 13 0 "[ . 1 . 2 ]" 3
112 2 7 ILE H 2 25 LEU H . . 8.000 6.716 6.152 7.313 . 0 0 "[ . 1 . 2 ]" 3
113 2 11 ALA MB 2 18 GLN QB . . 5.410 3.409 3.093 3.578 . 0 0 "[ . 1 . 2 ]" 3
114 2 11 ALA MB 2 18 GLN HA . . 4.380 3.324 3.036 3.527 . 0 0 "[ . 1 . 2 ]" 3
115 2 19 VAL QG 2 24 MET ME . . 7.340 3.347 2.834 3.731 . 0 0 "[ . 1 . 2 ]" 3
116 2 19 VAL QG 2 23 LYS QE . . 7.190 4.467 3.943 4.773 . 0 0 "[ . 1 . 2 ]" 3
117 2 25 LEU QD 2 29 GLU H . . 7.310 4.258 3.499 4.784 . 0 0 "[ . 1 . 2 ]" 3
118 2 35 THR MG 2 40 ASP HA . . 6.200 3.593 1.766 3.865 0.034 13 0 "[ . 1 . 2 ]" 3
119 2 35 THR MG 2 40 ASP QB . . 6.200 1.674 1.617 1.916 0.183 11 0 "[ . 1 . 2 ]" 3
120 2 35 THR MG 2 41 LYS HA . . 6.530 4.090 3.588 5.184 . 0 0 "[ . 1 . 2 ]" 3
121 2 36 VAL QG 2 52 PRO HA . . 7.400 3.136 2.457 4.280 . 0 0 "[ . 1 . 2 ]" 3
122 2 35 THR HA 2 40 ASP QB . . 5.880 3.506 3.142 3.748 . 0 0 "[ . 1 . 2 ]" 3
123 2 35 THR HB 2 40 ASP QB . . 5.880 4.012 2.741 4.217 . 0 0 "[ . 1 . 2 ]" 3
124 2 41 LYS HA 2 51 LYS HA . . 2.800 2.537 1.978 2.883 0.083 13 0 "[ . 1 . 2 ]" 3
125 2 41 LYS QG 2 51 LYS QE . . 6.760 4.310 2.814 5.219 . 0 0 "[ . 1 . 2 ]" 3
126 2 42 VAL H 2 51 LYS HA . . 4.000 4.048 3.560 4.130 0.130 6 0 "[ . 1 . 2 ]" 3
127 2 43 GLN HA 2 50 ILE H . . 3.500 3.160 2.365 3.595 0.095 21 0 "[ . 1 . 2 ]" 3
128 2 43 GLN QB 2 49 ASN HA . . 4.880 3.316 1.909 4.190 . 0 0 "[ . 1 . 2 ]" 3
129 2 44 LEU QD 2 49 ASN HA . . 8.310 4.824 3.078 5.377 . 0 0 "[ . 1 . 2 ]" 3
130 2 48 LEU QD 2 79 VAL HB . . 6.310 4.314 3.163 4.763 . 0 0 "[ . 1 . 2 ]" 3
131 2 48 LEU QD 2 79 VAL HA . . 7.310 4.773 3.836 5.566 . 0 0 "[ . 1 . 2 ]" 3
132 2 48 LEU QD 2 81 PRO HA . . 5.810 2.371 1.768 4.540 0.032 17 0 "[ . 1 . 2 ]" 3
133 2 48 LEU QD 2 81 PRO QD . . 7.190 3.575 1.870 4.185 . 0 0 "[ . 1 . 2 ]" 3
134 2 48 LEU HG 2 81 PRO QD . . 7.000 6.143 4.456 6.616 . 0 0 "[ . 1 . 2 ]" 3
135 2 48 LEU HA 2 82 GLY H . . 5.000 3.817 2.952 4.359 . 0 0 "[ . 1 . 2 ]" 3
136 2 44 LEU H 2 48 LEU H . . 3.500 3.320 2.527 3.617 0.117 10 0 "[ . 1 . 2 ]" 3
137 2 49 ASN QB 2 80 LYS QB . . 5.760 4.109 1.864 4.863 . 0 0 "[ . 1 . 2 ]" 3
138 2 49 ASN QB 2 80 LYS QG . . 5.760 3.272 2.045 4.706 . 0 0 "[ . 1 . 2 ]" 3
139 2 49 ASN QB 2 79 VAL QG . . 7.190 3.871 1.890 4.820 . 0 0 "[ . 1 . 2 ]" 3
140 2 49 ASN H 2 80 LYS H . . 6.000 3.071 2.214 4.363 . 0 0 "[ . 1 . 2 ]" 3
141 2 44 LEU H 2 49 ASN HA . . 3.500 3.212 2.682 3.585 0.085 4 0 "[ . 1 . 2 ]" 3
142 2 43 GLN HA 2 49 ASN HA . . 2.800 2.147 1.810 2.822 0.022 4 0 "[ . 1 . 2 ]" 3
143 2 49 ASN H 2 79 VAL HA . . 6.000 4.617 3.479 6.080 0.080 15 0 "[ . 1 . 2 ]" 3
144 2 49 ASN H 2 82 GLY H . . 5.000 4.975 4.267 5.358 0.358 6 0 "[ . 1 . 2 ]" 3
145 2 50 ILE HA 2 80 LYS H . . 5.000 4.146 3.349 5.132 0.132 11 0 "[ . 1 . 2 ]" 3
146 2 51 LYS QD 2 78 SER QB . . 5.760 2.841 1.857 3.597 . 0 0 "[ . 1 . 2 ]" 3
147 2 51 LYS H 2 78 SER H . . 5.000 3.648 3.112 4.377 . 0 0 "[ . 1 . 2 ]" 3
148 2 51 LYS H 2 79 VAL H . . 4.000 3.906 2.559 4.304 0.304 14 0 "[ . 1 . 2 ]" 3
149 2 52 PRO QB 2 75 VAL QG . . 7.190 1.905 1.577 2.612 0.223 20 0 "[ . 1 . 2 ]" 3
150 2 52 PRO HA 2 78 SER H . . 2.800 2.711 2.394 2.858 0.058 11 0 "[ . 1 . 2 ]" 3
151 2 41 LYS HA 2 52 PRO QD . . 5.880 2.866 2.097 3.931 . 0 0 "[ . 1 . 2 ]" 3
152 2 53 VAL QG 2 78 SER H . . 5.810 2.745 1.915 3.076 . 0 0 "[ . 1 . 2 ]" 3
153 2 53 VAL QG 2 78 SER QB . . 6.690 2.495 1.643 3.657 0.157 11 0 "[ . 1 . 2 ]" 3
154 2 54 ALA MB 2 75 VAL QG . . 8.340 3.010 2.342 4.243 . 0 0 "[ . 1 . 2 ]" 3
155 2 55 ARG QD 2 76 GLY QA . . 7.000 4.273 2.553 5.363 . 0 0 "[ . 1 . 2 ]" 3
156 2 57 ALA MB 2 73 PRO QD . . 5.000 2.596 1.663 3.816 0.137 7 0 "[ . 1 . 2 ]" 3
157 2 57 ALA MB 2 72 ALA HA . . 4.530 3.341 1.729 3.906 0.071 14 0 "[ . 1 . 2 ]" 3
158 2 60 GLY H 2 69 LEU H . . 5.000 3.478 2.562 4.984 . 0 0 "[ . 1 . 2 ]" 3
159 2 61 PHE QD 2 66 GLN HA . . 6.000 4.874 3.250 5.934 . 0 0 "[ . 1 . 2 ]" 3
160 2 61 PHE QE 2 66 GLN HA . . 5.630 4.117 1.916 5.396 . 0 0 "[ . 1 . 2 ]" 3
161 2 61 PHE HA 2 68 ALA HA . . 2.800 2.413 1.753 3.183 0.383 15 0 "[ . 1 . 2 ]" 3
162 2 61 PHE HA 2 69 LEU H . . 3.500 3.412 1.798 3.977 0.477 17 0 "[ . 1 . 2 ]" 3
163 2 61 PHE HA 2 69 LEU QD . . 7.310 4.277 1.849 5.551 . 0 0 "[ . 1 . 2 ]" 3
164 2 61 PHE HA 2 68 ALA MB . . 4.530 3.126 1.796 4.166 0.004 8 0 "[ . 1 . 2 ]" 3
165 2 62 ASN QB 2 67 GLU H . . 5.000 4.038 1.848 5.735 0.735 4 1 "[ +. 1 . 2 ]" 3
166 2 61 PHE QD 2 68 ALA HA . . 4.930 4.014 2.177 4.799 . 0 0 "[ . 1 . 2 ]" 3
167 2 61 PHE QE 2 68 ALA HA . . 7.130 5.575 3.055 6.563 . 0 0 "[ . 1 . 2 ]" 3
168 2 61 PHE QD 2 68 ALA MB . . 6.630 4.407 2.422 5.176 . 0 0 "[ . 1 . 2 ]" 3
169 2 61 PHE QE 2 68 ALA MB . . 8.000 5.681 2.504 6.317 . 0 0 "[ . 1 . 2 ]" 3
170 2 62 ASN HA 2 69 LEU QD . . 6.400 4.206 2.248 4.838 . 0 0 "[ . 1 . 2 ]" 3
171 2 62 ASN QB 2 69 LEU QD . . 6.900 3.707 1.936 4.825 . 0 0 "[ . 1 . 2 ]" 3
172 2 58 ARG QD 2 71 ILE MD . . 5.910 3.561 1.750 4.595 0.050 1 0 "[ . 1 . 2 ]" 3
173 2 58 ARG QD 2 71 ILE MG . . 5.910 3.091 1.580 4.417 0.220 14 0 "[ . 1 . 2 ]" 3
174 2 58 ARG QB 2 71 ILE MD . . 5.910 3.066 1.686 4.336 0.114 16 0 "[ . 1 . 2 ]" 3
175 2 58 ARG QB 2 71 ILE MG . . 5.910 2.994 1.730 4.428 0.070 12 0 "[ . 1 . 2 ]" 3
176 2 55 ARG H 2 74 SER H . . 4.000 3.808 2.771 4.750 0.750 12 1 "[ . 1 + . 2 ]" 3
177 2 52 PRO HA 2 75 VAL QG . . 7.310 2.916 2.420 3.851 . 0 0 "[ . 1 . 2 ]" 3
178 2 53 VAL H 2 75 VAL QG . . 5.110 2.473 1.909 3.398 . 0 0 "[ . 1 . 2 ]" 3
179 2 54 ALA HA 2 75 VAL QG . . 5.810 2.700 1.848 3.832 . 0 0 "[ . 1 . 2 ]" 3
180 2 52 PRO HA 2 76 GLY H . . 5.000 3.694 3.204 3.989 . 0 0 "[ . 1 . 2 ]" 3
181 2 75 VAL QG 2 76 GLY QA . . 8.190 3.126 2.942 3.446 . 0 0 "[ . 1 . 2 ]" 3
182 2 76 GLY H 2 78 SER H . . 5.000 4.939 4.704 5.119 0.119 9 0 "[ . 1 . 2 ]" 3
183 2 55 ARG H 2 76 GLY H . . 6.000 4.184 3.245 4.997 . 0 0 "[ . 1 . 2 ]" 3
184 2 54 ALA HA 2 76 GLY H . . 3.500 3.337 2.920 3.573 0.073 6 0 "[ . 1 . 2 ]" 3
185 2 53 VAL HA 2 76 GLY H . . 3.500 3.740 3.540 3.894 0.394 14 0 "[ . 1 . 2 ]" 3
186 2 53 VAL H 2 77 VAL HA . . 3.500 3.529 3.396 3.689 0.189 7 0 "[ . 1 . 2 ]" 3
187 2 52 PRO HA 2 77 VAL HA . . 2.800 1.837 1.659 2.508 0.141 3 0 "[ . 1 . 2 ]" 3
188 2 52 PRO HA 2 77 VAL QG . . 5.810 3.429 2.641 3.705 . 0 0 "[ . 1 . 2 ]" 3
189 2 48 LEU QD 2 79 VAL QG . . 8.620 2.732 1.844 4.184 . 0 0 "[ . 1 . 2 ]" 3
190 2 51 LYS H 2 79 VAL HA . . 4.000 3.515 2.637 4.410 0.410 19 0 "[ . 1 . 2 ]" 3
191 2 47 PHE HA 2 82 GLY QA . . 6.880 2.472 1.794 4.230 0.006 14 0 "[ . 1 . 2 ]" 3
192 2 47 PHE HA 2 82 GLY H . . 5.000 2.283 1.799 3.756 0.001 18 0 "[ . 1 . 2 ]" 3
193 2 48 LEU QD 2 82 GLY H . . 5.810 3.626 2.985 3.991 . 0 0 "[ . 1 . 2 ]" 3
194 1 77 VAL H 2 85 LEU QD . . 8.400 4.851 3.958 6.205 . 0 0 "[ . 1 . 2 ]" 3
195 2 47 PHE HA 2 85 LEU QD . . 8.400 3.574 2.328 4.815 . 0 0 "[ . 1 . 2 ]" 3
196 2 47 PHE QD 2 85 LEU QD . . 7.940 2.008 1.680 2.751 0.120 21 0 "[ . 1 . 2 ]" 3
197 2 47 PHE QE 2 85 LEU QD . . 8.600 2.834 1.995 3.732 . 0 0 "[ . 1 . 2 ]" 3
198 2 47 PHE HZ 2 85 LEU QD . . 8.440 4.283 3.832 4.708 . 0 0 "[ . 1 . 2 ]" 3
199 2 48 LEU QD 2 85 LEU QD . . 10.620 2.929 1.816 4.094 . 0 0 "[ . 1 . 2 ]" 3
200 2 94 TYR QE 2 98 ALA HA . . 7.000 4.822 2.773 6.421 . 0 0 "[ . 1 . 2 ]" 3
201 2 94 TYR QD 2 98 ALA HA . . 7.630 5.062 3.926 6.598 . 0 0 "[ . 1 . 2 ]" 3
202 2 1 MET QG 2 6 LEU HG . . 3.800 3.031 2.039 3.285 . 0 0 "[ . 1 . 2 ]" 3
203 2 1 MET QG 2 6 LEU QD . . 7.400 3.433 2.053 3.796 . 0 0 "[ . 1 . 2 ]" 3
204 2 1 MET QG 2 2 ASN H . . 3.800 3.159 2.185 3.458 . 0 0 "[ . 1 . 2 ]" 3
205 2 1 MET QB 2 2 ASN H . . 3.800 2.354 1.827 3.375 . 0 0 "[ . 1 . 2 ]" 3
206 2 1 MET QG 2 6 LEU H . . 5.000 3.512 3.007 4.398 . 0 0 "[ . 1 . 2 ]" 3
207 2 1 MET HA 2 1 MET QG . . 3.800 2.305 2.025 3.314 . 0 0 "[ . 1 . 2 ]" 3
208 2 1 MET QB 2 2 ASN HA . . 4.500 3.862 3.802 3.961 . 0 0 "[ . 1 . 2 ]" 3
209 2 2 ASN H 2 5 GLU QB . . 3.800 1.792 1.581 2.031 0.219 3 0 "[ . 1 . 2 ]" 3
210 2 2 ASN HA 2 4 THR H . . 4.000 4.077 4.006 4.129 0.129 2 0 "[ . 1 . 2 ]" 3
211 2 4 THR HA 2 7 ILE MG . . 3.800 2.613 1.746 3.254 0.054 10 0 "[ . 1 . 2 ]" 3
212 2 4 THR H 2 5 GLU QG . . 7.000 5.046 3.615 5.895 . 0 0 "[ . 1 . 2 ]" 3
213 2 4 THR HB 2 5 GLU QB . . 5.000 4.044 3.756 4.497 . 0 0 "[ . 1 . 2 ]" 3
214 2 4 THR MG 2 7 ILE MG . . 6.000 3.331 2.651 3.662 . 0 0 "[ . 1 . 2 ]" 3
215 2 1 MET QB 2 5 GLU H . . 6.000 4.640 3.589 5.447 . 0 0 "[ . 1 . 2 ]" 3
216 2 5 GLU QB 2 8 LYS H . . 6.000 4.953 4.659 5.239 . 0 0 "[ . 1 . 2 ]" 3
217 2 5 GLU QG 2 6 LEU H . . 5.000 4.176 3.717 4.461 . 0 0 "[ . 1 . 2 ]" 3
218 2 5 GLU QB 2 7 ILE H . . 6.000 4.445 4.281 4.825 . 0 0 "[ . 1 . 2 ]" 3
219 2 6 LEU H 2 6 LEU QD . . 5.200 3.008 2.650 3.272 . 0 0 "[ . 1 . 2 ]" 3
220 2 1 MET QB 2 6 LEU H . . 7.000 3.260 2.358 4.955 . 0 0 "[ . 1 . 2 ]" 3
221 2 1 MET QB 2 6 LEU QD . . 8.400 2.703 2.068 3.753 . 0 0 "[ . 1 . 2 ]" 3
222 2 6 LEU QD 2 9 ALA MB . . 9.400 2.632 2.239 3.061 . 0 0 "[ . 1 . 2 ]" 3
223 2 6 LEU H 2 6 LEU HG . . 2.800 2.573 1.998 2.837 0.037 13 0 "[ . 1 . 2 ]" 3
224 2 6 LEU H 2 6 LEU QB . . 3.800 2.192 2.065 2.398 . 0 0 "[ . 1 . 2 ]" 3
225 2 2 ASN HA 2 6 LEU H . . 4.000 4.186 4.098 4.298 0.298 10 0 "[ . 1 . 2 ]" 3
226 2 6 LEU QB 2 7 ILE HA . . 4.500 3.986 3.917 4.045 . 0 0 "[ . 1 . 2 ]" 3
227 2 6 LEU QB 2 7 ILE H . . 7.000 2.741 2.394 2.922 . 0 0 "[ . 1 . 2 ]" 3
228 2 7 ILE MG 2 24 MET ME . . 5.500 3.644 3.393 3.896 . 0 0 "[ . 1 . 2 ]" 3
229 2 7 ILE HA 2 7 ILE MD . . 4.500 3.587 3.282 3.879 . 0 0 "[ . 1 . 2 ]" 3
230 2 7 ILE H 2 7 ILE QG . . 3.800 2.870 2.465 3.407 . 0 0 "[ . 1 . 2 ]" 3
231 2 7 ILE MD 2 21 VAL HB . . 3.800 2.509 1.925 2.990 . 0 0 "[ . 1 . 2 ]" 3
232 2 7 ILE MD 2 22 SER HA . . 5.000 2.582 1.728 4.084 0.072 22 0 "[ . 1 . 2 ]" 3
233 2 8 LYS H 2 8 LYS QB . . 3.800 2.195 1.899 2.660 . 0 0 "[ . 1 . 2 ]" 3
234 2 8 LYS QB 2 10 ILE H . . 7.000 4.847 4.460 5.077 . 0 0 "[ . 1 . 2 ]" 3
235 2 8 LYS HA 2 11 ALA H . . 2.800 2.905 2.836 2.988 0.188 7 0 "[ . 1 . 2 ]" 3
236 2 8 LYS HA 2 11 ALA MB . . 3.800 1.730 1.519 1.820 0.281 1 0 "[ . 1 . 2 ]" 3
237 2 8 LYS H 2 8 LYS QG . . 3.800 2.636 1.682 3.546 0.118 21 0 "[ . 1 . 2 ]" 3
238 2 9 ALA HA 2 12 GLN QB . . 7.000 3.353 2.798 4.059 . 0 0 "[ . 1 . 2 ]" 3
239 2 9 ALA H 2 12 GLN QB . . 6.000 4.836 4.459 5.147 . 0 0 "[ . 1 . 2 ]" 3
240 2 6 LEU HA 2 9 ALA H . . 2.800 2.924 2.839 3.025 0.225 13 0 "[ . 1 . 2 ]" 3
241 2 9 ALA MB 2 11 ALA H . . 5.000 4.231 4.182 4.303 . 0 0 "[ . 1 . 2 ]" 3
242 2 9 ALA HA 2 13 ASP H . . 6.000 3.883 3.564 4.298 . 0 0 "[ . 1 . 2 ]" 3
243 2 10 ILE H 2 10 ILE HB . . 2.800 2.053 1.998 2.103 . 0 0 "[ . 1 . 2 ]" 3
244 2 9 ALA HA 2 10 ILE H . . 4.000 3.560 3.523 3.591 . 0 0 "[ . 1 . 2 ]" 3
245 2 7 ILE HA 2 10 ILE H . . 4.000 3.508 3.275 3.724 . 0 0 "[ . 1 . 2 ]" 3
246 2 10 ILE MG 2 11 ALA H . . 3.800 2.779 2.216 3.052 . 0 0 "[ . 1 . 2 ]" 3
247 2 10 ILE H 2 11 ALA MB . . 4.500 3.660 3.606 3.738 . 0 0 "[ . 1 . 2 ]" 3
248 2 11 ALA HA 2 14 THR H . . 6.000 3.941 3.553 4.326 . 0 0 "[ . 1 . 2 ]" 3
249 2 11 ALA HA 2 15 GLY H . . 2.800 2.663 2.307 2.978 0.178 10 0 "[ . 1 . 2 ]" 3
250 2 11 ALA HA 2 16 LEU H . . 5.000 4.918 4.547 5.100 0.100 22 0 "[ . 1 . 2 ]" 3
251 2 11 ALA MB 2 18 GLN QG . . 6.000 3.507 3.091 3.880 . 0 0 "[ . 1 . 2 ]" 3
252 2 11 ALA HA 2 14 THR HA . . 6.000 5.698 5.304 6.091 0.091 3 0 "[ . 1 . 2 ]" 3
253 2 7 ILE HA 2 11 ALA H . . 4.000 3.917 3.719 4.067 0.067 16 0 "[ . 1 . 2 ]" 3
254 2 12 GLN QB 2 13 ASP HA . . 7.000 4.364 3.965 4.670 . 0 0 "[ . 1 . 2 ]" 3
255 2 10 ILE HB 2 12 GLN H . . 5.000 4.878 4.653 5.062 0.062 7 0 "[ . 1 . 2 ]" 3
256 2 12 GLN H 2 13 ASP QB . . 5.000 3.923 3.722 4.134 . 0 0 "[ . 1 . 2 ]" 3
257 2 12 GLN HA 2 13 ASP H . . 3.500 3.582 3.558 3.599 0.099 6 0 "[ . 1 . 2 ]" 3
258 2 13 ASP QB 2 14 THR HA . . 5.000 4.133 3.953 4.233 . 0 0 "[ . 1 . 2 ]" 3
259 2 10 ILE HA 2 13 ASP H . . 2.800 2.981 2.893 3.057 0.257 16 0 "[ . 1 . 2 ]" 3
260 2 11 ALA MB 2 13 ASP H . . 7.000 4.712 4.494 4.889 . 0 0 "[ . 1 . 2 ]" 3
261 2 11 ALA MB 2 14 THR HB . . 6.000 5.120 5.010 5.215 . 0 0 "[ . 1 . 2 ]" 3
262 2 14 THR HA 2 15 GLY H . . 4.000 3.560 3.546 3.579 . 0 0 "[ . 1 . 2 ]" 3
263 2 14 THR HB 2 15 GLY H . . 2.800 2.145 1.762 2.622 0.038 1 0 "[ . 1 . 2 ]" 3
264 2 12 GLN HA 2 15 GLY H . . 5.000 4.150 3.751 4.738 . 0 0 "[ . 1 . 2 ]" 3
265 2 15 GLY H 2 16 LEU HG . . 5.000 4.725 3.731 5.255 0.255 6 0 "[ . 1 . 2 ]" 3
266 2 15 GLY QA 2 16 LEU H . . 7.000 2.876 2.787 2.931 . 0 0 "[ . 1 . 2 ]" 3
267 2 16 LEU H 2 16 LEU HG . . 2.800 2.453 1.650 2.896 0.150 19 0 "[ . 1 . 2 ]" 3
268 2 14 THR MG 2 16 LEU H . . 5.000 3.637 2.797 4.168 . 0 0 "[ . 1 . 2 ]" 3
269 2 16 LEU HA 2 16 LEU HG . . 2.800 2.590 2.160 3.402 0.602 19 2 "[ . 1 .- +2 ]" 3
270 2 12 GLN HA 2 16 LEU H . . 6.000 6.193 6.140 6.251 0.251 10 0 "[ . 1 . 2 ]" 3
271 2 16 LEU HA 2 17 THR MG . . 6.500 5.455 5.338 5.583 . 0 0 "[ . 1 . 2 ]" 3
272 2 17 THR H 2 17 THR HB . . 2.800 2.678 2.488 2.866 0.066 16 0 "[ . 1 . 2 ]" 3
273 2 18 GLN H 2 18 GLN QG . . 3.800 2.539 2.446 2.626 . 0 0 "[ . 1 . 2 ]" 3
274 2 17 THR H 2 18 GLN HA . . 4.000 4.054 3.969 4.104 0.104 4 0 "[ . 1 . 2 ]" 3
275 2 18 GLN HA 2 19 VAL QG . . 7.400 3.153 2.964 3.380 . 0 0 "[ . 1 . 2 ]" 3
276 2 19 VAL QG 2 22 SER H . . 6.400 4.572 4.388 4.718 . 0 0 "[ . 1 . 2 ]" 3
277 2 19 VAL HB 2 21 VAL H . . 5.000 4.810 4.616 4.970 . 0 0 "[ . 1 . 2 ]" 3
278 2 19 VAL QG 2 21 VAL H . . 6.400 2.092 1.824 2.291 . 0 0 "[ . 1 . 2 ]" 3
279 2 18 GLN QG 2 19 VAL H . . 4.500 4.141 4.112 4.187 . 0 0 "[ . 1 . 2 ]" 3
280 2 20 SER H 2 22 SER H . . 4.000 4.516 4.459 4.583 0.583 20 17 "[** *** * 1* *******+ *-]" 3
281 2 20 SER HA 2 22 SER H . . 4.000 3.328 3.208 3.449 . 0 0 "[ . 1 . 2 ]" 3
282 2 18 GLN QG 2 21 VAL QG . . 8.400 3.436 3.070 3.834 . 0 0 "[ . 1 . 2 ]" 3
283 2 11 ALA MB 2 21 VAL HB . . 3.800 2.848 2.155 3.133 . 0 0 "[ . 1 . 2 ]" 3
284 2 21 VAL H 2 22 SER H . . 2.800 3.106 2.991 3.212 0.412 13 0 "[ . 1 . 2 ]" 3
285 2 21 VAL H 2 24 MET QG . . 5.000 3.266 2.558 4.496 . 0 0 "[ . 1 . 2 ]" 3
286 2 18 GLN HA 2 21 VAL H . . 4.000 3.806 3.654 3.983 . 0 0 "[ . 1 . 2 ]" 3
287 2 7 ILE MD 2 22 SER QB . . 6.000 3.254 2.531 3.973 . 0 0 "[ . 1 . 2 ]" 3
288 2 22 SER QB 2 25 LEU QB . . 7.000 5.277 4.947 5.473 . 0 0 "[ . 1 . 2 ]" 3
289 2 23 LYS H 2 23 LYS QE . . 6.000 3.582 2.312 5.270 . 0 0 "[ . 1 . 2 ]" 3
290 2 23 LYS QE 2 24 MET H . . 5.000 4.492 4.182 4.599 . 0 0 "[ . 1 . 2 ]" 3
291 2 23 LYS H 2 23 LYS QG . . 3.800 3.193 1.700 3.609 0.100 2 0 "[ . 1 . 2 ]" 3
292 2 23 LYS HA 2 24 MET H . . 3.500 3.579 3.500 3.651 0.151 20 0 "[ . 1 . 2 ]" 3
293 2 23 LYS QB 2 26 ALA H . . 6.000 4.887 4.522 5.373 . 0 0 "[ . 1 . 2 ]" 3
294 2 24 MET H 2 24 MET ME . . 3.800 3.134 2.991 3.288 . 0 0 "[ . 1 . 2 ]" 3
295 2 24 MET H 2 24 MET QG . . 3.800 2.217 1.440 3.848 0.360 4 0 "[ . 1 . 2 ]" 3
296 2 24 MET QB 2 25 LEU H . . 3.800 3.022 2.383 3.464 . 0 0 "[ . 1 . 2 ]" 3
297 2 10 ILE QG 2 24 MET QB . . 7.000 5.287 4.935 5.517 . 0 0 "[ . 1 . 2 ]" 3
298 2 23 LYS QG 2 24 MET H . . 5.000 4.303 2.991 4.592 . 0 0 "[ . 1 . 2 ]" 3
299 2 25 LEU HA 2 29 GLU QB . . 6.000 5.029 4.520 5.386 . 0 0 "[ . 1 . 2 ]" 3
300 2 24 MET HA 2 25 LEU HA . . 6.000 4.702 4.641 4.760 . 0 0 "[ . 1 . 2 ]" 3
301 2 25 LEU H 2 25 LEU HG . . 2.800 2.913 2.815 3.007 0.207 19 0 "[ . 1 . 2 ]" 3
302 2 25 LEU HA 2 27 SER H . . 4.000 4.010 3.740 4.150 0.150 2 0 "[ . 1 . 2 ]" 3
303 2 26 ALA HA 2 29 GLU H . . 6.000 3.756 3.410 3.998 . 0 0 "[ . 1 . 2 ]" 3
304 2 24 MET QB 2 26 ALA H . . 6.000 4.956 4.360 5.344 . 0 0 "[ . 1 . 2 ]" 3
305 2 26 ALA HA 2 27 SER H . . 6.000 3.511 3.464 3.534 . 0 0 "[ . 1 . 2 ]" 3
306 2 25 LEU QB 2 27 SER H . . 5.000 4.486 4.332 4.657 . 0 0 "[ . 1 . 2 ]" 3
307 2 27 SER H 2 28 PHE QB . . 7.000 3.863 3.746 3.985 . 0 0 "[ . 1 . 2 ]" 3
308 2 27 SER QB 2 28 PHE H . . 7.000 2.840 2.493 3.521 . 0 0 "[ . 1 . 2 ]" 3
309 2 26 ALA H 2 28 PHE H . . 4.000 3.865 3.652 4.036 0.036 3 0 "[ . 1 . 2 ]" 3
310 2 28 PHE QE 2 29 GLU H . . 7.000 4.415 3.943 4.916 . 0 0 "[ . 1 . 2 ]" 3
311 2 28 PHE QD 2 32 ILE MG . . 8.000 4.499 4.155 4.713 . 0 0 "[ . 1 . 2 ]" 3
312 2 28 PHE QD 2 29 GLU QB . . 5.800 2.813 2.268 3.449 . 0 0 "[ . 1 . 2 ]" 3
313 2 29 GLU QG 2 32 ILE HB . . 3.800 3.427 3.159 3.635 . 0 0 "[ . 1 . 2 ]" 3
314 2 29 GLU H 2 29 GLU QG . . 4.500 3.508 2.751 3.940 . 0 0 "[ . 1 . 2 ]" 3
315 2 29 GLU H 2 29 GLU QB . . 3.800 2.113 1.942 2.217 . 0 0 "[ . 1 . 2 ]" 3
316 2 29 GLU HA 2 31 ILE H . . 4.000 3.831 3.633 4.029 0.029 14 0 "[ . 1 . 2 ]" 3
317 2 28 PHE H 2 29 GLU QB . . 6.000 4.444 4.215 4.586 . 0 0 "[ . 1 . 2 ]" 3
318 2 29 GLU QG 2 30 LYS H . . 4.500 4.077 3.801 4.283 . 0 0 "[ . 1 . 2 ]" 3
319 2 30 LYS QG 2 34 GLU QG . . 7.000 2.219 1.867 4.364 . 0 0 "[ . 1 . 2 ]" 3
320 2 30 LYS H 2 30 LYS QG . . 5.000 3.907 3.858 3.939 . 0 0 "[ . 1 . 2 ]" 3
321 2 30 LYS H 2 31 ILE H . . 2.800 2.561 2.442 2.804 0.004 18 0 "[ . 1 . 2 ]" 3
322 2 30 LYS QG 2 34 GLU H . . 5.000 4.554 4.457 4.625 . 0 0 "[ . 1 . 2 ]" 3
323 2 30 LYS QG 2 34 GLU QB . . 7.000 3.346 3.104 3.646 . 0 0 "[ . 1 . 2 ]" 3
324 2 29 GLU QB 2 30 LYS H . . 3.800 2.579 2.398 2.722 . 0 0 "[ . 1 . 2 ]" 3
325 2 27 SER QB 2 30 LYS QB . . 8.000 3.426 3.009 3.830 . 0 0 "[ . 1 . 2 ]" 3
326 2 28 PHE HA 2 31 ILE H . . 3.500 3.245 3.096 3.391 . 0 0 "[ . 1 . 2 ]" 3
327 2 30 LYS H 2 31 ILE HB . . 6.000 6.084 5.896 6.181 0.181 23 0 "[ . 1 . 2 ]" 3
328 2 31 ILE H 2 31 ILE QG . . 3.800 1.723 1.556 2.098 0.244 5 0 "[ . 1 . 2 ]" 3
329 2 31 ILE HA 2 34 GLU H . . 3.500 3.323 2.945 3.537 0.037 13 0 "[ . 1 . 2 ]" 3
330 2 32 ILE H 2 34 GLU QB . . 5.000 4.228 4.177 4.270 . 0 0 "[ . 1 . 2 ]" 3
331 2 28 PHE QE 2 32 ILE HB . . 6.000 4.261 3.607 4.627 . 0 0 "[ . 1 . 2 ]" 3
332 2 28 PHE QE 2 32 ILE QG . . 8.000 2.861 2.414 3.159 . 0 0 "[ . 1 . 2 ]" 3
333 2 29 GLU HA 2 32 ILE MG . . 5.000 3.510 3.381 3.728 . 0 0 "[ . 1 . 2 ]" 3
334 2 28 PHE QE 2 32 ILE MD . . 7.000 2.203 1.857 2.576 . 0 0 "[ . 1 . 2 ]" 3
335 2 28 PHE QE 2 32 ILE MG . . 5.800 3.603 3.025 3.890 . 0 0 "[ . 1 . 2 ]" 3
336 2 31 ILE MD 2 32 ILE H . . 3.800 2.937 2.584 3.270 . 0 0 "[ . 1 . 2 ]" 3
337 2 32 ILE HA 2 42 VAL QG . . 7.400 2.633 1.969 4.218 . 0 0 "[ . 1 . 2 ]" 3
338 2 32 ILE H 2 32 ILE HB . . 2.800 2.393 2.258 2.507 . 0 0 "[ . 1 . 2 ]" 3
339 2 32 ILE HB 2 33 THR HA . . 4.000 4.261 4.128 4.448 0.448 22 0 "[ . 1 . 2 ]" 3
340 2 31 ILE H 2 32 ILE HB . . 4.000 4.120 4.061 4.176 0.176 18 0 "[ . 1 . 2 ]" 3
341 2 32 ILE HA 2 33 THR H . . 6.000 3.532 3.508 3.562 . 0 0 "[ . 1 . 2 ]" 3
342 2 33 THR H 2 36 VAL QG . . 7.400 5.048 3.676 5.577 . 0 0 "[ . 1 . 2 ]" 3
343 2 33 THR HA 2 36 VAL QG . . 5.200 3.314 1.662 3.909 0.138 23 0 "[ . 1 . 2 ]" 3
344 2 31 ILE MG 2 34 GLU QB . . 4.800 3.445 3.338 3.503 . 0 0 "[ . 1 . 2 ]" 3
345 2 34 GLU HA 2 38 LYS QE . . 3.800 3.306 2.700 3.491 . 0 0 "[ . 1 . 2 ]" 3
346 2 32 ILE HA 2 35 THR H . . 3.500 3.667 3.537 3.784 0.284 2 0 "[ . 1 . 2 ]" 3
347 2 34 GLU QG 2 35 THR H . . 7.000 4.131 1.673 4.379 0.127 23 0 "[ . 1 . 2 ]" 3
348 2 35 THR MG 2 42 VAL QG . . 6.200 2.189 1.695 3.570 0.105 8 0 "[ . 1 . 2 ]" 3
349 2 35 THR MG 2 41 LYS H . . 5.000 3.979 2.911 4.262 . 0 0 "[ . 1 . 2 ]" 3
350 2 35 THR MG 2 39 GLY QA . . 6.000 4.520 4.364 4.660 . 0 0 "[ . 1 . 2 ]" 3
351 2 35 THR MG 2 40 ASP H . . 5.000 2.574 2.268 2.974 . 0 0 "[ . 1 . 2 ]" 3
352 2 35 THR MG 2 38 LYS QB . . 7.000 3.141 2.887 3.610 . 0 0 "[ . 1 . 2 ]" 3
353 2 35 THR HA 2 40 ASP H . . 4.000 4.064 3.859 4.135 0.135 4 0 "[ . 1 . 2 ]" 3
354 2 35 THR HA 2 38 LYS H . . 2.800 2.952 2.815 3.149 0.349 4 0 "[ . 1 . 2 ]" 3
355 2 36 VAL HB 2 52 PRO QD . . 6.000 4.313 3.306 5.180 . 0 0 "[ . 1 . 2 ]" 3
356 2 32 ILE MG 2 36 VAL QG . . 8.400 3.738 2.960 4.215 . 0 0 "[ . 1 . 2 ]" 3
357 2 32 ILE HA 2 36 VAL H . . 4.000 4.146 4.021 4.456 0.456 9 0 "[ . 1 . 2 ]" 3
358 2 36 VAL HA 2 40 ASP H . . 2.800 2.885 2.246 3.029 0.229 23 0 "[ . 1 . 2 ]" 3
359 2 36 VAL QG 2 38 LYS H . . 5.200 3.974 3.713 4.106 . 0 0 "[ . 1 . 2 ]" 3
360 2 36 VAL QG 2 37 ALA HA . . 6.400 3.194 2.921 3.856 . 0 0 "[ . 1 . 2 ]" 3
361 2 33 THR MG 2 37 ALA H . . 6.000 4.560 4.125 5.083 . 0 0 "[ . 1 . 2 ]" 3
362 2 37 ALA HA 2 38 LYS H . . 3.500 3.312 3.183 3.530 0.030 20 0 "[ . 1 . 2 ]" 3
363 2 35 THR HB 2 38 LYS QB . . 6.000 4.447 4.289 4.609 . 0 0 "[ . 1 . 2 ]" 3
364 2 35 THR HA 2 38 LYS QG . . 6.000 3.602 3.245 4.033 . 0 0 "[ . 1 . 2 ]" 3
365 2 36 VAL H 2 38 LYS QB . . 7.000 4.449 4.329 4.665 . 0 0 "[ . 1 . 2 ]" 3
366 2 36 VAL HA 2 39 GLY H . . 4.000 3.540 3.039 3.893 . 0 0 "[ . 1 . 2 ]" 3
367 2 38 LYS QB 2 40 ASP H . . 6.000 3.685 3.057 4.311 . 0 0 "[ . 1 . 2 ]" 3
368 2 41 LYS H 2 41 LYS QB . . 3.800 2.402 2.158 3.039 . 0 0 "[ . 1 . 2 ]" 3
369 2 41 LYS H 2 42 VAL H . . 4.000 4.013 2.253 4.275 0.275 14 0 "[ . 1 . 2 ]" 3
370 2 41 LYS HA 2 51 LYS QB . . 5.000 3.369 2.553 3.924 . 0 0 "[ . 1 . 2 ]" 3
371 2 40 ASP H 2 41 LYS QG . . 7.000 4.974 4.171 6.025 . 0 0 "[ . 1 . 2 ]" 3
372 2 35 THR MG 2 42 VAL H . . 6.000 3.153 2.478 4.157 . 0 0 "[ . 1 . 2 ]" 3
373 2 41 LYS HA 2 42 VAL QG . . 7.400 3.702 3.328 4.353 . 0 0 "[ . 1 . 2 ]" 3
374 2 32 ILE MG 2 42 VAL QG . . 6.200 2.855 2.315 3.671 . 0 0 "[ . 1 . 2 ]" 3
375 2 41 LYS H 2 42 VAL QG . . 8.400 4.570 3.300 5.254 . 0 0 "[ . 1 . 2 ]" 3
376 2 43 GLN H 2 43 GLN QG . . 3.800 2.646 1.887 3.590 . 0 0 "[ . 1 . 2 ]" 3
377 2 43 GLN HA 2 43 GLN QG . . 3.800 2.702 2.333 3.341 . 0 0 "[ . 1 . 2 ]" 3
378 2 44 LEU QD 2 47 PHE H . . 6.400 4.649 4.270 4.837 . 0 0 "[ . 1 . 2 ]" 3
379 2 44 LEU H 2 44 LEU QB . . 3.800 2.336 1.992 2.724 . 0 0 "[ . 1 . 2 ]" 3
380 2 44 LEU H 2 44 LEU HG . . 2.800 2.551 1.945 2.880 0.080 3 0 "[ . 1 . 2 ]" 3
381 2 44 LEU QD 2 45 THR MG . . 7.400 3.230 2.542 3.708 . 0 0 "[ . 1 . 2 ]" 3
382 2 44 LEU H 2 44 LEU QD . . 5.200 3.154 2.615 3.488 . 0 0 "[ . 1 . 2 ]" 3
383 2 45 THR MG 2 47 PHE H . . 5.000 2.584 2.018 4.005 . 0 0 "[ . 1 . 2 ]" 3
384 2 45 THR MG 2 47 PHE HZ . . 5.000 4.073 3.538 4.413 . 0 0 "[ . 1 . 2 ]" 3
385 2 47 PHE QD 2 48 LEU QD . . 7.200 2.704 1.840 3.643 . 0 0 "[ . 1 . 2 ]" 3
386 2 47 PHE HA 2 48 LEU QD . . 6.400 4.429 3.576 5.204 . 0 0 "[ . 1 . 2 ]" 3
387 2 47 PHE HZ 2 48 LEU QD . . 7.400 3.522 2.155 4.747 . 0 0 "[ . 1 . 2 ]" 3
388 2 47 PHE QE 2 48 LEU QD . . 9.400 2.468 1.938 3.055 . 0 0 "[ . 1 . 2 ]" 3
389 2 47 PHE QB 2 85 LEU QB . . 8.000 3.356 1.704 4.639 0.096 14 0 "[ . 1 . 2 ]" 3
390 2 47 PHE HZ 2 48 LEU H . . 5.000 5.023 4.468 5.225 0.225 3 0 "[ . 1 . 2 ]" 3
391 2 47 PHE H 2 48 LEU QD . . 8.400 4.898 4.138 5.393 . 0 0 "[ . 1 . 2 ]" 3
392 2 47 PHE H 2 48 LEU H . . 2.800 2.080 1.760 2.543 0.040 20 0 "[ . 1 . 2 ]" 3
393 2 44 LEU HA 2 48 LEU H . . 5.000 4.614 4.324 4.897 . 0 0 "[ . 1 . 2 ]" 3
394 2 48 LEU QB 2 82 GLY QA . . 8.000 5.870 3.952 6.470 . 0 0 "[ . 1 . 2 ]" 3
395 2 48 LEU QD 2 80 LYS H . . 6.400 3.094 2.040 4.131 . 0 0 "[ . 1 . 2 ]" 3
396 2 48 LEU QB 2 49 ASN H . . 5.000 3.551 2.506 3.878 . 0 0 "[ . 1 . 2 ]" 3
397 2 49 ASN QB 2 80 LYS QD . . 4.800 3.371 2.001 4.084 . 0 0 "[ . 1 . 2 ]" 3
398 2 43 GLN QB 2 49 ASN QD . . 6.000 3.010 1.947 4.185 . 0 0 "[ . 1 . 2 ]" 3
399 2 49 ASN QB 2 80 LYS H . . 6.000 3.751 2.011 5.477 . 0 0 "[ . 1 . 2 ]" 3
400 2 49 ASN H 2 50 ILE H . . 4.000 3.941 3.508 4.322 0.322 23 0 "[ . 1 . 2 ]" 3
401 2 48 LEU QD 2 50 ILE H . . 8.400 4.345 3.731 4.745 . 0 0 "[ . 1 . 2 ]" 3
402 2 42 VAL H 2 50 ILE HB . . 4.000 3.676 2.724 4.303 0.303 21 0 "[ . 1 . 2 ]" 3
403 2 49 ASN HA 2 50 ILE QG . . 6.000 4.350 3.246 5.429 . 0 0 "[ . 1 . 2 ]" 3
404 2 51 LYS QE 2 78 SER QB . . 6.000 2.682 1.713 4.085 0.087 10 0 "[ . 1 . 2 ]" 3
405 2 41 LYS HA 2 51 LYS QG . . 6.000 5.092 4.433 5.445 . 0 0 "[ . 1 . 2 ]" 3
406 2 51 LYS H 2 79 VAL QG . . 6.400 3.487 1.408 4.811 0.392 19 0 "[ . 1 . 2 ]" 3
407 2 51 LYS H 2 51 LYS QG . . 3.800 2.371 2.118 2.957 . 0 0 "[ . 1 . 2 ]" 3
408 2 42 VAL H 2 51 LYS QB . . 6.000 4.841 4.117 5.273 . 0 0 "[ . 1 . 2 ]" 3
409 2 51 LYS H 2 51 LYS QD . . 5.000 4.219 3.664 4.499 . 0 0 "[ . 1 . 2 ]" 3
410 2 51 LYS H 2 77 VAL HA . . 4.000 4.142 4.036 4.234 0.234 1 0 "[ . 1 . 2 ]" 3
411 2 52 PRO QB 2 77 VAL QG . . 6.200 3.362 1.914 3.986 . 0 0 "[ . 1 . 2 ]" 3
412 2 52 PRO QG 2 75 VAL QG . . 7.400 3.268 2.548 3.915 . 0 0 "[ . 1 . 2 ]" 3
413 2 52 PRO QD 2 77 VAL QG . . 8.400 4.272 3.672 4.985 . 0 0 "[ . 1 . 2 ]" 3
414 2 36 VAL HA 2 52 PRO QG . . 3.800 2.257 1.756 3.233 0.044 21 0 "[ . 1 . 2 ]" 3
415 2 38 LYS H 2 52 PRO QB . . 7.000 5.823 5.247 6.294 . 0 0 "[ . 1 . 2 ]" 3
416 2 52 PRO QG 2 53 VAL H . . 5.000 4.524 4.378 4.614 . 0 0 "[ . 1 . 2 ]" 3
417 2 41 LYS QB 2 52 PRO QD . . 8.000 3.894 2.321 5.253 . 0 0 "[ . 1 . 2 ]" 3
418 2 51 LYS QE 2 53 VAL H . . 6.000 5.141 4.375 5.425 . 0 0 "[ . 1 . 2 ]" 3
419 2 53 VAL QG 2 77 VAL HA . . 5.200 3.842 3.360 3.966 . 0 0 "[ . 1 . 2 ]" 3
420 2 53 VAL H 2 54 ALA H . . 4.000 4.089 3.995 4.224 0.224 5 0 "[ . 1 . 2 ]" 3
421 2 52 PRO HA 2 53 VAL QG . . 6.400 3.097 3.016 3.227 . 0 0 "[ . 1 . 2 ]" 3
422 2 53 VAL H 2 78 SER H . . 3.500 3.530 3.016 3.654 0.154 21 0 "[ . 1 . 2 ]" 3
423 2 53 VAL H 2 76 GLY H . . 2.800 1.855 1.751 2.002 0.049 8 0 "[ . 1 . 2 ]" 3
424 2 55 ARG H 2 55 ARG QG . . 5.000 3.721 2.526 4.326 . 0 0 "[ . 1 . 2 ]" 3
425 2 55 ARG H 2 75 VAL QG . . 7.400 4.052 3.310 5.107 . 0 0 "[ . 1 . 2 ]" 3
426 2 55 ARG QG 2 56 GLN H . . 7.000 3.916 2.014 4.731 . 0 0 "[ . 1 . 2 ]" 3
427 2 56 GLN QB 2 73 PRO HA . . 3.800 3.369 2.509 3.818 0.018 14 0 "[ . 1 . 2 ]" 3
428 2 57 ALA HA 2 58 ARG QB . . 5.000 4.130 3.553 4.727 . 0 0 "[ . 1 . 2 ]" 3
429 2 56 GLN QB 2 57 ALA MB . . 6.000 3.848 3.095 4.485 . 0 0 "[ . 1 . 2 ]" 3
430 2 57 ALA MB 2 59 LYS QE . . 8.000 5.142 3.838 5.907 . 0 0 "[ . 1 . 2 ]" 3
431 2 57 ALA MB 2 71 ILE MD . . 6.000 3.096 1.627 4.054 0.173 19 0 "[ . 1 . 2 ]" 3
432 2 57 ALA MB 2 74 SER H . . 6.000 4.314 2.810 5.143 . 0 0 "[ . 1 . 2 ]" 3
433 2 58 ARG QB 2 73 PRO QD . . 8.000 5.913 2.617 6.563 . 0 0 "[ . 1 . 2 ]" 3
434 2 58 ARG QG 2 71 ILE HB . . 6.000 4.984 3.834 5.578 . 0 0 "[ . 1 . 2 ]" 3
435 2 57 ALA HA 2 58 ARG H . . 2.800 2.572 2.162 3.044 0.244 1 0 "[ . 1 . 2 ]" 3
436 2 58 ARG QG 2 61 PHE H . . 7.000 5.860 3.463 6.440 . 0 0 "[ . 1 . 2 ]" 3
437 2 58 ARG H 2 58 ARG QG . . 3.800 3.283 2.255 3.789 . 0 0 "[ . 1 . 2 ]" 3
438 2 58 ARG QB 2 59 LYS H . . 3.800 2.727 1.579 3.551 0.221 4 0 "[ . 1 . 2 ]" 3
439 2 59 LYS H 2 59 LYS QB . . 3.800 2.981 2.397 3.455 . 0 0 "[ . 1 . 2 ]" 3
440 2 61 PHE QD 2 62 ASN H . . 7.000 2.980 2.020 4.236 . 0 0 "[ . 1 . 2 ]" 3
441 2 62 ASN H 2 62 ASN QB . . 3.800 2.435 1.890 3.178 . 0 0 "[ . 1 . 2 ]" 3
442 2 62 ASN H 2 64 GLN QB . . 5.000 4.219 2.790 4.801 . 0 0 "[ . 1 . 2 ]" 3
443 2 66 GLN H 2 67 GLU H . . 4.000 3.213 1.732 4.212 0.212 17 0 "[ . 1 . 2 ]" 3
444 2 67 GLU H 2 68 ALA H . . 4.000 3.417 2.574 4.309 0.309 17 0 "[ . 1 . 2 ]" 3
445 2 67 GLU H 2 67 GLU QB . . 3.800 2.890 2.098 3.475 . 0 0 "[ . 1 . 2 ]" 3
446 2 67 GLU HA 2 68 ALA MB . . 5.000 4.037 3.875 4.146 . 0 0 "[ . 1 . 2 ]" 3
447 2 69 LEU H 2 69 LEU HG . . 2.800 2.500 1.869 3.272 0.472 21 0 "[ . 1 . 2 ]" 3
448 2 60 GLY H 2 69 LEU HG . . 6.000 5.122 3.473 6.131 0.131 7 0 "[ . 1 . 2 ]" 3
449 2 71 ILE H 2 71 ILE QG . . 3.800 2.553 1.743 3.900 0.100 14 0 "[ . 1 . 2 ]" 3
450 2 70 GLU H 2 71 ILE MG . . 5.000 3.218 2.494 4.087 . 0 0 "[ . 1 . 2 ]" 3
451 2 71 ILE MD 2 72 ALA MB . . 6.000 3.534 1.718 4.144 0.082 12 0 "[ . 1 . 2 ]" 3
452 2 72 ALA MB 2 74 SER H . . 6.000 4.836 4.040 5.328 . 0 0 "[ . 1 . 2 ]" 3
453 2 73 PRO QB 2 74 SER H . . 7.000 3.376 1.682 3.929 0.118 12 0 "[ . 1 . 2 ]" 3
454 2 38 LYS H 2 75 VAL QG . . 8.400 6.004 5.577 6.277 . 0 0 "[ . 1 . 2 ]" 3
455 2 76 GLY QA 2 77 VAL QG . . 7.400 3.377 2.821 4.016 . 0 0 "[ . 1 . 2 ]" 3
456 2 75 VAL HB 2 76 GLY H . . 4.000 4.021 3.345 4.333 0.333 7 0 "[ . 1 . 2 ]" 3
457 2 77 VAL H 2 78 SER H . . 4.000 3.913 3.258 4.194 0.194 8 0 "[ . 1 . 2 ]" 3
458 2 51 LYS QG 2 78 SER H . . 6.000 3.225 2.967 3.630 . 0 0 "[ . 1 . 2 ]" 3
459 2 51 LYS QB 2 78 SER QB . . 6.000 3.848 3.578 4.195 . 0 0 "[ . 1 . 2 ]" 3
460 2 51 LYS QG 2 78 SER QB . . 6.000 1.917 1.717 2.295 0.083 1 0 "[ . 1 . 2 ]" 3
461 2 78 SER QB 2 79 VAL H . . 3.800 2.542 1.861 3.215 . 0 0 "[ . 1 . 2 ]" 3
462 2 50 ILE HA 2 79 VAL QG . . 7.400 2.578 1.472 4.383 0.328 11 0 "[ . 1 . 2 ]" 3
463 2 49 ASN H 2 79 VAL QG . . 6.400 3.499 2.020 4.834 . 0 0 "[ . 1 . 2 ]" 3
464 2 80 LYS H 2 80 LYS QD . . 6.000 4.085 2.192 4.900 . 0 0 "[ . 1 . 2 ]" 3
465 2 47 PHE H 2 82 GLY H . . 6.000 4.754 4.143 5.753 . 0 0 "[ . 1 . 2 ]" 3
466 2 82 GLY H 2 85 LEU QD . . 7.400 3.331 1.773 4.948 0.027 12 0 "[ . 1 . 2 ]" 3
467 2 47 PHE H 2 82 GLY QA . . 6.000 4.435 3.420 5.358 . 0 0 "[ . 1 . 2 ]" 3
468 2 82 GLY H 2 86 LYS QB . . 7.000 5.984 5.000 6.514 . 0 0 "[ . 1 . 2 ]" 3
469 2 83 GLU HA 2 86 LYS QB . . 3.800 2.536 1.730 3.490 0.070 3 0 "[ . 1 . 2 ]" 3
470 2 83 GLU QG 2 87 LYS QB . . 4.800 3.155 1.977 3.894 . 0 0 "[ . 1 . 2 ]" 3
471 2 83 GLU HA 2 86 LYS QD . . 3.800 3.308 2.054 3.697 . 0 0 "[ . 1 . 2 ]" 3
472 2 83 GLU HA 2 84 SER HA . . 5.000 4.911 4.781 4.967 . 0 0 "[ . 1 . 2 ]" 3
473 2 83 GLU QB 2 84 SER HA . . 7.000 4.714 3.913 5.472 . 0 0 "[ . 1 . 2 ]" 3
474 2 84 SER H 2 86 LYS QB . . 6.000 4.223 3.411 4.866 . 0 0 "[ . 1 . 2 ]" 3
475 2 82 GLY QA 2 84 SER H . . 3.800 3.343 3.029 3.575 . 0 0 "[ . 1 . 2 ]" 3
476 2 84 SER HA 2 87 LYS QB . . 7.000 4.283 2.098 6.822 . 0 0 "[ . 1 . 2 ]" 3
477 2 83 GLU QG 2 84 SER QB . . 6.000 4.127 3.309 4.870 . 0 0 "[ . 1 . 2 ]" 3
478 2 82 GLY QA 2 85 LEU H . . 6.000 4.588 3.847 5.452 . 0 0 "[ . 1 . 2 ]" 3
479 2 83 GLU HA 2 85 LEU H . . 5.000 4.051 3.649 4.424 . 0 0 "[ . 1 . 2 ]" 3
480 2 47 PHE HA 2 85 LEU H . . 5.000 3.677 2.346 5.129 0.129 6 0 "[ . 1 . 2 ]" 3
481 2 85 LEU QD 2 89 ALA MB . . 8.400 4.248 2.385 5.002 . 0 0 "[ . 1 . 2 ]" 3
482 2 82 GLY H 2 85 LEU H . . 6.000 4.111 3.585 5.248 . 0 0 "[ . 1 . 2 ]" 3
483 2 86 LYS H 2 86 LYS QB . . 3.800 1.955 1.773 2.446 0.027 17 0 "[ . 1 . 2 ]" 3
484 2 86 LYS HA 2 89 ALA H . . 4.000 3.052 2.888 3.539 . 0 0 "[ . 1 . 2 ]" 3
485 2 85 LEU QD 2 86 LYS HA . . 8.400 4.566 2.629 5.552 . 0 0 "[ . 1 . 2 ]" 3
486 2 86 LYS QB 2 89 ALA H . . 6.000 4.488 4.295 4.982 . 0 0 "[ . 1 . 2 ]" 3
487 2 86 LYS QB 2 87 LYS HA . . 4.500 3.887 3.768 4.256 . 0 0 "[ . 1 . 2 ]" 3
488 2 84 SER H 2 86 LYS H . . 4.000 3.867 3.596 4.068 0.068 7 0 "[ . 1 . 2 ]" 3
489 2 83 GLU QB 2 87 LYS QB . . 4.800 3.560 3.152 3.912 . 0 0 "[ . 1 . 2 ]" 3
490 2 87 LYS QG 2 88 ALA H . . 5.000 3.785 3.340 4.343 . 0 0 "[ . 1 . 2 ]" 3
491 2 87 LYS HA 2 89 ALA H . . 4.000 4.133 4.055 4.344 0.344 18 0 "[ . 1 . 2 ]" 3
492 2 87 LYS H 2 89 ALA H . . 3.500 3.598 3.520 3.659 0.159 7 0 "[ . 1 . 2 ]" 3
493 2 87 LYS QB 2 89 ALA H . . 6.000 4.401 4.197 4.659 . 0 0 "[ . 1 . 2 ]" 3
494 2 85 LEU QD 2 88 ALA MB . . 8.400 3.333 2.328 4.395 . 0 0 "[ . 1 . 2 ]" 3
495 2 87 LYS QB 2 88 ALA H . . 3.800 2.504 2.342 2.744 . 0 0 "[ . 1 . 2 ]" 3
496 2 86 LYS HA 2 88 ALA H . . 4.000 4.199 4.008 4.331 0.331 3 0 "[ . 1 . 2 ]" 3
497 2 89 ALA MB 2 90 GLU H . . 5.000 2.485 2.292 2.754 . 0 0 "[ . 1 . 2 ]" 3
498 2 85 LEU QB 2 89 ALA H . . 6.000 4.338 3.179 5.365 . 0 0 "[ . 1 . 2 ]" 3
499 2 85 LEU HA 2 89 ALA H . . 4.000 4.073 3.710 4.272 0.272 6 0 "[ . 1 . 2 ]" 3
500 2 89 ALA H 2 89 ALA HA . . 2.800 2.863 2.830 2.909 0.109 6 0 "[ . 1 . 2 ]" 3
501 2 89 ALA MB 2 90 GLU QB . . 8.000 3.908 3.676 4.247 . 0 0 "[ . 1 . 2 ]" 3
502 2 89 ALA MB 2 90 GLU HA . . 5.000 3.880 3.782 4.000 . 0 0 "[ . 1 . 2 ]" 3
503 2 90 GLU H 2 90 GLU QG . . 3.800 2.833 1.944 3.505 . 0 0 "[ . 1 . 2 ]" 3
504 2 92 LEU H 2 92 LEU HG . . 2.800 2.633 1.987 2.882 0.082 23 0 "[ . 1 . 2 ]" 3
505 2 89 ALA HA 2 92 LEU H . . 2.800 2.966 2.818 3.121 0.321 9 0 "[ . 1 . 2 ]" 3
506 2 93 LYS QG 2 96 ASP QB . . 7.000 3.501 1.776 5.761 0.024 14 0 "[ . 1 . 2 ]" 3
507 2 93 LYS QB 2 94 TYR H . . 4.500 3.850 3.776 4.007 . 0 0 "[ . 1 . 2 ]" 3
508 2 94 TYR QD 2 95 GLU H . . 4.800 2.920 2.262 3.660 . 0 0 "[ . 1 . 2 ]" 3
509 2 94 TYR QE 2 95 GLU H . . 6.000 4.394 3.449 5.513 . 0 0 "[ . 1 . 2 ]" 3
510 2 94 TYR H 2 94 TYR QD . . 4.800 3.604 2.421 4.249 . 0 0 "[ . 1 . 2 ]" 3
511 2 94 TYR HA 2 94 TYR QE . . 6.000 5.005 4.379 5.508 . 0 0 "[ . 1 . 2 ]" 3
512 2 93 LYS HA 2 94 TYR H . . 2.800 2.800 2.645 2.947 0.147 5 0 "[ . 1 . 2 ]" 3
513 2 94 TYR HA 2 97 PHE QE . . 7.000 5.818 3.050 6.486 . 0 0 "[ . 1 . 2 ]" 3
514 2 93 LYS HA 2 94 TYR HA . . 5.000 4.867 4.710 4.955 . 0 0 "[ . 1 . 2 ]" 3
515 2 93 LYS QD 2 94 TYR QB . . 8.000 6.013 5.490 6.403 . 0 0 "[ . 1 . 2 ]" 3
516 2 95 GLU QB 2 98 ALA MB . . 4.800 3.492 3.309 3.560 . 0 0 "[ . 1 . 2 ]" 3
517 2 94 TYR QD 2 95 GLU HA . . 4.800 3.663 2.604 4.249 . 0 0 "[ . 1 . 2 ]" 3
518 2 95 GLU HA 2 97 PHE H . . 5.000 4.092 3.870 4.230 . 0 0 "[ . 1 . 2 ]" 3
519 2 95 GLU H 2 95 GLU QG . . 3.800 2.167 1.896 3.455 . 0 0 "[ . 1 . 2 ]" 3
520 2 97 PHE H 2 98 ALA MB . . 7.000 3.879 3.544 4.057 . 0 0 "[ . 1 . 2 ]" 3
521 2 96 ASP H 2 97 PHE QB . . 7.000 4.281 4.060 5.493 . 0 0 "[ . 1 . 2 ]" 3
522 2 95 GLU H 2 97 PHE H . . 4.000 3.980 3.840 4.181 0.181 5 0 "[ . 1 . 2 ]" 3
523 2 96 ASP QB 2 97 PHE QD . . 5.800 3.849 2.832 4.490 . 0 0 "[ . 1 . 2 ]" 3
524 2 97 PHE QB 2 98 ALA MB . . 6.000 3.918 3.723 4.893 . 0 0 "[ . 1 . 2 ]" 3
525 2 95 GLU HA 2 98 ALA H . . 3.500 3.053 2.917 3.848 0.348 5 0 "[ . 1 . 2 ]" 3
526 2 95 GLU QB 2 98 ALA H . . 5.000 4.426 3.438 4.550 . 0 0 "[ . 1 . 2 ]" 3
527 2 95 GLU QG 2 98 ALA H . . 6.000 4.808 4.605 5.170 . 0 0 "[ . 1 . 2 ]" 3
528 2 99 LYS H 2 99 LYS QB . . 3.800 2.223 1.961 2.883 . 0 0 "[ . 1 . 2 ]" 3
529 1 38 LYS H 2 92 LEU QB . . 5.000 3.591 3.098 4.167 . 0 0 "[ . 1 . 2 ]" 3
530 1 74 SER HA 2 94 TYR QD . . 7.000 3.330 2.017 5.436 . 0 0 "[ . 1 . 2 ]" 3
531 1 47 PHE QD 2 28 PHE QD . . 8.000 5.871 5.110 6.767 . 0 0 "[ . 1 . 2 ]" 3
532 1 14 THR HA 2 23 LYS QE . . 6.000 3.883 2.044 5.501 . 0 0 "[ . 1 . 2 ]" 3
533 1 32 ILE MG 2 44 LEU QD . . 7.400 3.030 2.523 3.342 . 0 0 "[ . 1 . 2 ]" 3
534 1 20 SER QB 2 14 THR HA . . 7.000 3.304 1.974 4.334 . 0 0 "[ . 1 . 2 ]" 3
535 1 10 ILE HB 2 28 PHE QB . . 6.000 4.906 4.070 5.226 . 0 0 "[ . 1 . 2 ]" 3
536 1 9 ALA HA 2 31 ILE MG . . 5.000 3.458 2.782 4.053 . 0 0 "[ . 1 . 2 ]" 3
537 1 6 LEU HA 2 31 ILE QG . . 6.000 5.129 4.712 5.419 . 0 0 "[ . 1 . 2 ]" 3
538 1 85 LEU QD 2 32 ILE QG . . 8.400 4.974 4.136 5.507 . 0 0 "[ . 1 . 2 ]" 3
539 1 2 ASN HA 2 43 GLN QG . . 5.000 3.811 1.860 4.539 . 0 0 "[ . 1 . 2 ]" 3
540 1 32 ILE MG 2 47 PHE HZ . . 5.000 2.142 1.662 2.810 0.138 8 0 "[ . 1 . 2 ]" 3
541 1 32 ILE MG 2 47 PHE QD . . 5.800 3.312 2.935 3.558 . 0 0 "[ . 1 . 2 ]" 3
542 1 32 ILE MG 2 47 PHE QE . . 5.800 1.872 1.643 2.254 0.157 3 0 "[ . 1 . 2 ]" 3
543 1 94 TYR QE 2 56 GLN HA . . 6.000 4.224 2.398 5.703 . 0 0 "[ . 1 . 2 ]" 3
544 1 89 ALA HA 2 75 VAL QG . . 6.400 3.152 2.264 3.661 . 0 0 "[ . 1 . 2 ]" 3
545 1 32 ILE MG 2 85 LEU QD . . 7.400 2.332 1.613 2.863 0.187 15 0 "[ . 1 . 2 ]" 3
546 1 74 SER H 2 94 TYR QD . . 4.800 4.177 1.683 4.758 0.117 14 0 "[ . 1 . 2 ]" 3
547 1 73 PRO QB 2 94 TYR QD . . 7.000 4.317 2.169 5.587 . 0 0 "[ . 1 . 2 ]" 3
548 1 42 VAL QG 2 1 MET QB . . 6.200 2.268 1.565 3.592 0.235 9 0 "[ . 1 . 2 ]" 3
549 1 43 GLN H 2 2 ASN HA . . 2.800 2.686 1.952 2.880 0.080 3 0 "[ . 1 . 2 ]" 3
550 1 28 PHE QE 2 6 LEU QD . . 8.400 3.457 2.730 4.208 . 0 0 "[ . 1 . 2 ]" 3
551 1 28 PHE QD 2 6 LEU QD . . 8.400 3.148 2.056 4.307 . 0 0 "[ . 1 . 2 ]" 3
552 1 14 THR MG 2 24 MET QB . . 6.000 2.094 1.717 2.569 0.083 1 0 "[ . 1 . 2 ]" 3
553 1 47 PHE QD 2 28 PHE QE . . 6.800 5.063 4.269 5.904 . 0 0 "[ . 1 . 2 ]" 3
554 1 48 LEU QD 2 28 PHE QE . . 10.400 4.156 3.108 5.318 . 0 0 "[ . 1 . 2 ]" 3
555 1 48 LEU QD 2 32 ILE MG . . 7.400 2.822 1.861 3.979 . 0 0 "[ . 1 . 2 ]" 3
556 1 88 ALA HA 2 33 THR MG . . 5.000 4.049 3.039 4.250 . 0 0 "[ . 1 . 2 ]" 3
557 1 89 ALA MB 2 36 VAL QG . . 6.200 2.874 1.700 3.595 0.100 11 0 "[ . 1 . 2 ]" 3
558 1 28 PHE QE 2 45 THR MG . . 7.000 4.089 3.100 4.566 . 0 0 "[ . 1 . 2 ]" 3
559 1 32 ILE H 2 47 PHE QE . . 8.000 5.024 4.085 5.450 . 0 0 "[ . 1 . 2 ]" 3
560 1 32 ILE H 2 47 PHE QD . . 8.000 6.381 5.881 6.752 . 0 0 "[ . 1 . 2 ]" 3
561 1 33 THR H 2 47 PHE QE . . 8.000 4.066 2.541 5.254 . 0 0 "[ . 1 . 2 ]" 3
562 1 32 ILE HA 2 47 PHE QD . . 7.000 6.412 5.877 6.601 . 0 0 "[ . 1 . 2 ]" 3
563 1 97 PHE QD 2 52 PRO QB . . 9.000 5.038 4.082 5.956 . 0 0 "[ . 1 . 2 ]" 3
564 1 97 PHE H 2 54 ALA MB . . 5.000 3.929 3.208 4.292 . 0 0 "[ . 1 . 2 ]" 3
565 1 94 TYR HA 2 75 VAL HB . . 3.500 3.331 1.876 3.670 0.170 9 0 "[ . 1 . 2 ]" 3
566 1 52 PRO QB 2 89 ALA MB . . 8.000 3.488 2.452 4.371 . 0 0 "[ . 1 . 2 ]" 3
567 1 74 SER QB 2 94 TYR QE . . 7.000 4.179 2.557 5.004 . 0 0 "[ . 1 . 2 ]" 3
568 2 59 LYS QB 2 70 GLU HA . . 4.500 3.924 2.658 4.295 . 0 0 "[ . 1 . 2 ]" 3
569 2 60 GLY H 2 70 GLU HA . . 5.000 4.308 1.918 5.107 0.107 21 0 "[ . 1 . 2 ]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 58
_Distance_constraint_stats_list.Viol_count 470
_Distance_constraint_stats_list.Viol_total 1445.264
_Distance_constraint_stats_list.Viol_max 1.856
_Distance_constraint_stats_list.Viol_rms 0.1659
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0471
_Distance_constraint_stats_list.Viol_average_violations_only 0.1337
_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 4 THR 5.720 0.241 3 0 "[ . 1 . 2 ]"
1 5 GLU 0.458 0.114 4 0 "[ . 1 . 2 ]"
1 6 LEU 1.746 0.170 11 0 "[ . 1 . 2 ]"
1 7 ILE 0.010 0.010 13 0 "[ . 1 . 2 ]"
1 8 LYS 5.720 0.241 3 0 "[ . 1 . 2 ]"
1 9 ALA 0.555 0.114 4 0 "[ . 1 . 2 ]"
1 10 ILE 1.804 0.170 11 0 "[ . 1 . 2 ]"
1 11 ALA 0.010 0.010 13 0 "[ . 1 . 2 ]"
1 12 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 13 ASP 0.097 0.041 1 0 "[ . 1 . 2 ]"
1 14 THR 0.057 0.031 7 0 "[ . 1 . 2 ]"
1 20 SER 0.075 0.027 15 0 "[ . 1 . 2 ]"
1 21 VAL 4.158 0.224 19 0 "[ . 1 . 2 ]"
1 22 SER 0.490 0.072 19 0 "[ . 1 . 2 ]"
1 23 LYS 0.034 0.034 1 0 "[ . 1 . 2 ]"
1 24 MET 0.097 0.027 15 0 "[ . 1 . 2 ]"
1 25 LEU 4.197 0.224 19 0 "[ . 1 . 2 ]"
1 26 ALA 2.360 0.179 7 0 "[ . 1 . 2 ]"
1 27 SER 0.402 0.086 9 0 "[ . 1 . 2 ]"
1 28 PHE 0.179 0.031 8 0 "[ . 1 . 2 ]"
1 29 GLU 0.056 0.033 10 0 "[ . 1 . 2 ]"
1 30 LYS 7.656 0.450 20 0 "[ . 1 . 2 ]"
1 31 ILE 1.201 0.106 4 0 "[ . 1 . 2 ]"
1 32 ILE 1.114 0.079 13 0 "[ . 1 . 2 ]"
1 33 THR 1.190 0.123 16 0 "[ . 1 . 2 ]"
1 34 GLU 5.786 0.450 20 0 "[ . 1 . 2 ]"
1 35 THR 0.834 0.106 4 0 "[ . 1 . 2 ]"
1 36 VAL 0.958 0.079 13 0 "[ . 1 . 2 ]"
1 37 ALA 1.173 0.123 16 0 "[ . 1 . 2 ]"
1 84 SER 19.404 1.856 2 6 "[ + -. *1 * . * *2 ]"
1 85 LEU 1.190 0.255 17 0 "[ . 1 . 2 ]"
1 86 LYS 0.040 0.022 6 0 "[ . 1 . 2 ]"
1 87 LYS 6.741 0.354 17 0 "[ . 1 . 2 ]"
1 88 ALA 21.434 1.856 2 6 "[ + -. *1 * . * *2 ]"
1 89 ALA 1.190 0.255 17 0 "[ . 1 . 2 ]"
1 90 GLU 0.040 0.022 6 0 "[ . 1 . 2 ]"
1 91 GLY 6.741 0.354 17 0 "[ . 1 . 2 ]"
1 92 LEU 2.031 0.228 6 0 "[ . 1 . 2 ]"
1 93 LYS 2.101 0.145 6 0 "[ . 1 . 2 ]"
1 94 TYR 6.228 0.624 21 5 "[ * .* 1 * -2+ ]"
1 95 GLU 1.034 0.232 7 0 "[ . 1 . 2 ]"
1 97 PHE 2.101 0.145 6 0 "[ . 1 . 2 ]"
1 98 ALA 6.228 0.624 21 5 "[ * .* 1 * -2+ ]"
1 99 LYS 1.034 0.232 7 0 "[ . 1 . 2 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 THR O 1 8 LYS H . . 2.100 2.265 2.110 2.341 0.241 3 0 "[ . 1 . 2 ]" 4
2 1 4 THR O 1 8 LYS N . 2.400 3.100 3.182 3.064 3.238 0.138 6 0 "[ . 1 . 2 ]" 4
3 1 5 GLU O 1 9 ALA H . . 2.100 2.046 1.730 2.214 0.114 4 0 "[ . 1 . 2 ]" 4
4 1 5 GLU O 1 9 ALA N . 2.400 3.100 2.907 2.605 3.094 . 0 0 "[ . 1 . 2 ]" 4
5 1 6 LEU O 1 10 ILE H . . 2.100 2.172 2.041 2.270 0.170 11 0 "[ . 1 . 2 ]" 4
6 1 6 LEU O 1 10 ILE N . 2.400 3.100 3.003 2.884 3.117 0.017 11 0 "[ . 1 . 2 ]" 4
7 1 7 ILE O 1 11 ALA H . . 2.100 1.600 1.490 1.794 0.010 13 0 "[ . 1 . 2 ]" 4
8 1 7 ILE O 1 11 ALA N . 2.400 3.100 2.505 2.421 2.685 . 0 0 "[ . 1 . 2 ]" 4
9 1 8 LYS O 1 12 GLN H . . 2.300 1.965 1.710 2.243 . 0 0 "[ . 1 . 2 ]" 4
10 1 8 LYS O 1 12 GLN N . 2.400 3.300 2.599 2.495 2.834 . 0 0 "[ . 1 . 2 ]" 4
11 1 9 ALA O 1 13 ASP H . . 2.300 1.982 1.725 2.341 0.041 1 0 "[ . 1 . 2 ]" 4
12 1 9 ALA O 1 13 ASP N . 2.400 3.300 2.872 2.621 3.224 . 0 0 "[ . 1 . 2 ]" 4
13 1 10 ILE O 1 14 THR H . . 2.300 1.841 1.497 2.107 0.003 7 0 "[ . 1 . 2 ]" 4
14 1 10 ILE O 1 14 THR N . 2.400 3.300 2.620 2.369 2.833 0.031 7 0 "[ . 1 . 2 ]" 4
15 1 20 SER O 1 24 MET H . . 2.300 1.763 1.473 2.326 0.027 15 0 "[ . 1 . 2 ]" 4
16 1 20 SER O 1 24 MET N . 2.400 3.300 2.653 2.389 3.192 0.011 15 0 "[ . 1 . 2 ]" 4
17 1 21 VAL O 1 25 LEU H . . 2.300 2.448 2.375 2.524 0.224 19 0 "[ . 1 . 2 ]" 4
18 1 21 VAL O 1 25 LEU N . 2.400 3.300 3.327 3.229 3.388 0.088 22 0 "[ . 1 . 2 ]" 4
19 1 22 SER O 1 26 ALA H . . 2.300 2.304 2.125 2.372 0.072 19 0 "[ . 1 . 2 ]" 4
20 1 22 SER O 1 26 ALA N . 2.400 3.300 3.149 2.976 3.319 0.019 19 0 "[ . 1 . 2 ]" 4
21 1 23 LYS O 1 27 SER H . . 2.300 1.956 1.712 2.334 0.034 1 0 "[ . 1 . 2 ]" 4
22 1 23 LYS O 1 27 SER N . 2.400 3.300 2.736 2.521 3.083 . 0 0 "[ . 1 . 2 ]" 4
23 1 24 MET O 1 28 PHE H . . 2.300 1.795 1.600 2.240 . 0 0 "[ . 1 . 2 ]" 4
24 1 24 MET O 1 28 PHE N . 2.400 3.300 2.546 2.383 2.910 0.017 10 0 "[ . 1 . 2 ]" 4
25 1 25 LEU O 1 29 GLU H . . 2.300 2.050 1.782 2.333 0.033 10 0 "[ . 1 . 2 ]" 4
26 1 25 LEU O 1 29 GLU N . 2.400 3.300 2.963 2.644 3.212 . 0 0 "[ . 1 . 2 ]" 4
27 1 26 ALA O 1 30 LYS H . . 2.300 2.320 1.827 2.479 0.179 7 0 "[ . 1 . 2 ]" 4
28 1 26 ALA O 1 30 LYS N . 2.400 3.300 3.132 2.608 3.343 0.043 15 0 "[ . 1 . 2 ]" 4
29 1 27 SER O 1 31 ILE H . . 2.300 1.780 1.568 2.031 . 0 0 "[ . 1 . 2 ]" 4
30 1 27 SER O 1 31 ILE N . 2.400 3.300 2.433 2.314 2.639 0.086 9 0 "[ . 1 . 2 ]" 4
31 1 28 PHE O 1 32 ILE H . . 2.300 1.583 1.500 1.760 0.000 17 0 "[ . 1 . 2 ]" 4
32 1 28 PHE O 1 32 ILE N . 2.400 3.300 2.443 2.369 2.589 0.031 8 0 "[ . 1 . 2 ]" 4
33 1 29 GLU O 1 33 THR H . . 2.300 1.895 1.611 2.318 0.018 4 0 "[ . 1 . 2 ]" 4
34 1 29 GLU O 1 33 THR N . 2.400 3.300 2.759 2.426 3.155 . 0 0 "[ . 1 . 2 ]" 4
35 1 30 LYS O 1 34 GLU H . . 2.300 2.548 2.326 2.750 0.450 20 0 "[ . 1 . 2 ]" 4
36 1 30 LYS O 1 34 GLU N . 2.400 3.300 3.221 3.011 3.351 0.051 20 0 "[ . 1 . 2 ]" 4
37 1 31 ILE O 1 35 THR H . . 2.300 1.632 1.398 2.203 0.102 18 0 "[ . 1 . 2 ]" 4
38 1 31 ILE O 1 35 THR N . 2.400 3.300 2.481 2.294 2.981 0.106 4 0 "[ . 1 . 2 ]" 4
39 1 32 ILE O 1 36 VAL H . . 2.300 2.314 2.142 2.379 0.079 13 0 "[ . 1 . 2 ]" 4
40 1 32 ILE O 1 36 VAL N . 2.400 3.300 3.285 3.098 3.351 0.051 16 0 "[ . 1 . 2 ]" 4
41 1 33 THR O 1 37 ALA H . . 2.300 2.306 1.796 2.423 0.123 16 0 "[ . 1 . 2 ]" 4
42 1 33 THR O 1 37 ALA N . 2.400 3.300 3.146 2.691 3.331 0.031 4 0 "[ . 1 . 2 ]" 4
43 1 84 SER O 1 88 ALA H . . 2.300 2.752 2.228 4.156 1.856 2 6 "[ + -. *1 * . * *2 ]" 4
44 1 84 SER O 1 88 ALA N . 2.400 3.300 3.589 3.007 5.003 1.703 2 6 "[ + -. *1 * . * *2 ]" 4
45 1 85 LEU O 1 89 ALA H . . 2.300 1.863 1.409 2.308 0.091 17 0 "[ . 1 . 2 ]" 4
46 1 85 LEU O 1 89 ALA N . 2.400 3.300 2.615 2.145 3.111 0.255 17 0 "[ . 1 . 2 ]" 4
47 1 86 LYS O 1 90 GLU H . . 2.300 2.042 1.599 2.322 0.022 6 0 "[ . 1 . 2 ]" 4
48 1 86 LYS O 1 90 GLU N . 2.400 3.300 2.895 2.432 3.228 . 0 0 "[ . 1 . 2 ]" 4
49 1 87 LYS O 1 91 GLY H . . 2.300 2.539 2.443 2.654 0.354 17 0 "[ . 1 . 2 ]" 4
50 1 87 LYS O 1 91 GLY N . 2.400 3.300 3.346 3.155 3.446 0.146 19 0 "[ . 1 . 2 ]" 4
51 1 88 ALA O 1 92 LEU H . . 2.300 2.382 2.242 2.528 0.228 6 0 "[ . 1 . 2 ]" 4
52 1 88 ALA O 1 92 LEU N . 2.400 3.300 3.161 2.957 3.311 0.011 2 0 "[ . 1 . 2 ]" 4
53 1 93 LYS O 1 97 PHE H . . 2.300 2.346 1.771 2.445 0.145 6 0 "[ . 1 . 2 ]" 4
54 1 93 LYS O 1 97 PHE N . 2.400 3.300 3.225 2.583 3.377 0.077 21 0 "[ . 1 . 2 ]" 4
55 1 94 TYR O 1 98 ALA H . . 2.300 2.259 1.724 2.924 0.624 21 5 "[ * .* 1 * -2+ ]" 4
56 1 94 TYR O 1 98 ALA N . 2.400 3.300 3.052 2.463 3.849 0.549 21 1 "[ . 1 . 2+ ]" 4
57 1 95 GLU O 1 99 LYS H . . 2.300 2.261 1.960 2.532 0.232 7 0 "[ . 1 . 2 ]" 4
58 1 95 GLU O 1 99 LYS N . 2.400 3.300 3.118 2.862 3.341 0.041 7 0 "[ . 1 . 2 ]" 4
stop_
save_
save_distance_constraint_statistics_5
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 5
_Distance_constraint_stats_list.Constraint_count 58
_Distance_constraint_stats_list.Viol_count 460
_Distance_constraint_stats_list.Viol_total 1501.140
_Distance_constraint_stats_list.Viol_max 1.769
_Distance_constraint_stats_list.Viol_rms 0.1849
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0489
_Distance_constraint_stats_list.Viol_average_violations_only 0.1419
_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
2 4 THR 4.726 0.274 10 0 "[ . 1 . 2 ]"
2 5 GLU 0.493 0.074 12 0 "[ . 1 . 2 ]"
2 6 LEU 1.863 0.186 20 0 "[ . 1 . 2 ]"
2 7 ILE 0.136 0.084 9 0 "[ . 1 . 2 ]"
2 8 LYS 4.726 0.274 10 0 "[ . 1 . 2 ]"
2 9 ALA 0.783 0.074 12 0 "[ . 1 . 2 ]"
2 10 ILE 1.901 0.186 20 0 "[ . 1 . 2 ]"
2 11 ALA 0.136 0.084 9 0 "[ . 1 . 2 ]"
2 12 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 13 ASP 0.290 0.071 9 0 "[ . 1 . 2 ]"
2 14 THR 0.037 0.019 21 0 "[ . 1 . 2 ]"
2 20 SER 0.208 0.070 16 0 "[ . 1 . 2 ]"
2 21 VAL 3.496 0.259 6 0 "[ . 1 . 2 ]"
2 22 SER 0.496 0.055 12 0 "[ . 1 . 2 ]"
2 23 LYS 0.037 0.021 19 0 "[ . 1 . 2 ]"
2 24 MET 0.208 0.070 16 0 "[ . 1 . 2 ]"
2 25 LEU 3.522 0.259 6 0 "[ . 1 . 2 ]"
2 26 ALA 1.606 0.173 1 0 "[ . 1 . 2 ]"
2 27 SER 0.295 0.129 9 0 "[ . 1 . 2 ]"
2 28 PHE 0.205 0.047 10 0 "[ . 1 . 2 ]"
2 29 GLU 0.026 0.014 2 0 "[ . 1 . 2 ]"
2 30 LYS 7.358 0.447 20 0 "[ . 1 . 2 ]"
2 31 ILE 1.064 0.129 9 0 "[ . 1 . 2 ]"
2 32 ILE 2.123 0.103 17 0 "[ . 1 . 2 ]"
2 33 THR 1.695 0.148 22 0 "[ . 1 . 2 ]"
2 34 GLU 6.248 0.447 20 0 "[ . 1 . 2 ]"
2 35 THR 0.806 0.105 14 0 "[ . 1 . 2 ]"
2 36 VAL 1.918 0.103 17 0 "[ . 1 . 2 ]"
2 37 ALA 1.695 0.148 22 0 "[ . 1 . 2 ]"
2 84 SER 27.880 1.769 9 9 "[ * *.- +* * ** * ]"
2 85 LEU 1.870 0.191 18 0 "[ . 1 . 2 ]"
2 86 LYS 0.056 0.032 11 0 "[ . 1 . 2 ]"
2 87 LYS 6.433 0.290 18 0 "[ . 1 . 2 ]"
2 88 ALA 29.087 1.769 9 9 "[ * *.- +* * ** * ]"
2 89 ALA 1.870 0.191 18 0 "[ . 1 . 2 ]"
2 90 GLU 0.056 0.032 11 0 "[ . 1 . 2 ]"
2 91 GLY 6.433 0.290 18 0 "[ . 1 . 2 ]"
2 92 LEU 1.206 0.116 23 0 "[ . 1 . 2 ]"
2 93 LYS 2.345 0.188 15 0 "[ . 1 . 2 ]"
2 94 TYR 0.931 0.478 5 0 "[ . 1 . 2 ]"
2 95 GLU 0.496 0.248 5 0 "[ . 1 . 2 ]"
2 97 PHE 2.345 0.188 15 0 "[ . 1 . 2 ]"
2 98 ALA 0.931 0.478 5 0 "[ . 1 . 2 ]"
2 99 LYS 0.496 0.248 5 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 2 4 THR O 2 8 LYS H . . 2.100 2.233 1.993 2.374 0.274 10 0 "[ . 1 . 2 ]" 5
2 2 4 THR O 2 8 LYS N . 2.400 3.100 3.161 2.936 3.272 0.172 10 0 "[ . 1 . 2 ]" 5
3 2 5 GLU O 2 9 ALA H . . 2.100 2.058 1.653 2.174 0.074 12 0 "[ . 1 . 2 ]" 5
4 2 5 GLU O 2 9 ALA N . 2.400 3.100 2.914 2.502 3.072 . 0 0 "[ . 1 . 2 ]" 5
5 2 6 LEU O 2 10 ILE H . . 2.100 2.163 1.915 2.286 0.186 20 0 "[ . 1 . 2 ]" 5
6 2 6 LEU O 2 10 ILE N . 2.400 3.100 2.983 2.665 3.122 0.022 20 0 "[ . 1 . 2 ]" 5
7 2 7 ILE O 2 11 ALA H . . 2.100 1.591 1.416 1.688 0.084 9 0 "[ . 1 . 2 ]" 5
8 2 7 ILE O 2 11 ALA N . 2.400 3.100 2.505 2.357 2.609 0.043 9 0 "[ . 1 . 2 ]" 5
9 2 8 LYS O 2 12 GLN H . . 2.300 1.885 1.623 2.198 . 0 0 "[ . 1 . 2 ]" 5
10 2 8 LYS O 2 12 GLN N . 2.400 3.300 2.564 2.452 2.929 . 0 0 "[ . 1 . 2 ]" 5
11 2 9 ALA O 2 13 ASP H . . 2.300 2.049 1.673 2.371 0.071 9 0 "[ . 1 . 2 ]" 5
12 2 9 ALA O 2 13 ASP N . 2.400 3.300 2.932 2.577 3.279 . 0 0 "[ . 1 . 2 ]" 5
13 2 10 ILE O 2 14 THR H . . 2.300 1.808 1.570 2.266 . 0 0 "[ . 1 . 2 ]" 5
14 2 10 ILE O 2 14 THR N . 2.400 3.300 2.564 2.381 2.995 0.019 21 0 "[ . 1 . 2 ]" 5
15 2 20 SER O 2 24 MET H . . 2.300 1.882 1.453 2.370 0.070 16 0 "[ . 1 . 2 ]" 5
16 2 20 SER O 2 24 MET N . 2.400 3.300 2.780 2.395 3.255 0.005 12 0 "[ . 1 . 2 ]" 5
17 2 21 VAL O 2 25 LEU H . . 2.300 2.419 2.257 2.559 0.259 6 0 "[ . 1 . 2 ]" 5
18 2 21 VAL O 2 25 LEU N . 2.400 3.300 3.316 3.146 3.400 0.100 6 0 "[ . 1 . 2 ]" 5
19 2 22 SER O 2 26 ALA H . . 2.300 2.305 2.206 2.355 0.055 12 0 "[ . 1 . 2 ]" 5
20 2 22 SER O 2 26 ALA N . 2.400 3.300 3.149 3.029 3.253 . 0 0 "[ . 1 . 2 ]" 5
21 2 23 LYS O 2 27 SER H . . 2.300 1.883 1.641 2.321 0.021 19 0 "[ . 1 . 2 ]" 5
22 2 23 LYS O 2 27 SER N . 2.400 3.300 2.655 2.457 2.989 . 0 0 "[ . 1 . 2 ]" 5
23 2 24 MET O 2 28 PHE H . . 2.300 1.839 1.662 2.155 . 0 0 "[ . 1 . 2 ]" 5
24 2 24 MET O 2 28 PHE N . 2.400 3.300 2.616 2.438 2.927 . 0 0 "[ . 1 . 2 ]" 5
25 2 25 LEU O 2 29 GLU H . . 2.300 1.980 1.610 2.314 0.014 2 0 "[ . 1 . 2 ]" 5
26 2 25 LEU O 2 29 GLU N . 2.400 3.300 2.916 2.505 3.237 . 0 0 "[ . 1 . 2 ]" 5
27 2 26 ALA O 2 30 LYS H . . 2.300 2.264 1.816 2.473 0.173 1 0 "[ . 1 . 2 ]" 5
28 2 26 ALA O 2 30 LYS N . 2.400 3.300 3.066 2.568 3.335 0.035 1 0 "[ . 1 . 2 ]" 5
29 2 27 SER O 2 31 ILE H . . 2.300 1.788 1.575 1.964 . 0 0 "[ . 1 . 2 ]" 5
30 2 27 SER O 2 31 ILE N . 2.400 3.300 2.439 2.271 2.607 0.129 9 0 "[ . 1 . 2 ]" 5
31 2 28 PHE O 2 32 ILE H . . 2.300 1.553 1.484 1.734 0.016 10 0 "[ . 1 . 2 ]" 5
32 2 28 PHE O 2 32 ILE N . 2.400 3.300 2.422 2.353 2.545 0.047 10 0 "[ . 1 . 2 ]" 5
33 2 29 GLU O 2 33 THR H . . 2.300 1.901 1.609 2.193 . 0 0 "[ . 1 . 2 ]" 5
34 2 29 GLU O 2 33 THR N . 2.400 3.300 2.742 2.512 3.022 . 0 0 "[ . 1 . 2 ]" 5
35 2 30 LYS O 2 34 GLU H . . 2.300 2.568 2.274 2.747 0.447 20 0 "[ . 1 . 2 ]" 5
36 2 30 LYS O 2 34 GLU N . 2.400 3.300 3.212 2.883 3.318 0.018 15 0 "[ . 1 . 2 ]" 5
37 2 31 ILE O 2 35 THR H . . 2.300 1.633 1.395 1.951 0.105 14 0 "[ . 1 . 2 ]" 5
38 2 31 ILE O 2 35 THR N . 2.400 3.300 2.492 2.345 2.882 0.055 8 0 "[ . 1 . 2 ]" 5
39 2 32 ILE O 2 36 VAL H . . 2.300 2.331 2.045 2.403 0.103 17 0 "[ . 1 . 2 ]" 5
40 2 32 ILE O 2 36 VAL N . 2.400 3.300 3.302 2.987 3.382 0.082 9 0 "[ . 1 . 2 ]" 5
41 2 33 THR O 2 37 ALA H . . 2.300 2.337 1.736 2.448 0.148 22 0 "[ . 1 . 2 ]" 5
42 2 33 THR O 2 37 ALA N . 2.400 3.300 3.192 2.692 3.306 0.006 4 0 "[ . 1 . 2 ]" 5
43 2 84 SER O 2 88 ALA H . . 2.300 2.908 1.670 4.069 1.769 9 9 "[ * *.- +* * ** * ]" 5
44 2 84 SER O 2 88 ALA N . 2.400 3.300 3.742 2.617 4.864 1.564 9 9 "[ * *.- +* * ** * ]" 5
45 2 85 LEU O 2 89 ALA H . . 2.300 1.758 1.338 2.320 0.162 18 0 "[ . 1 . 2 ]" 5
46 2 85 LEU O 2 89 ALA N . 2.400 3.300 2.537 2.209 3.187 0.191 18 0 "[ . 1 . 2 ]" 5
47 2 86 LYS O 2 90 GLU H . . 2.300 2.032 1.702 2.332 0.032 11 0 "[ . 1 . 2 ]" 5
48 2 86 LYS O 2 90 GLU N . 2.400 3.300 2.928 2.573 3.227 . 0 0 "[ . 1 . 2 ]" 5
49 2 87 LYS O 2 91 GLY H . . 2.300 2.534 2.485 2.590 0.290 18 0 "[ . 1 . 2 ]" 5
50 2 87 LYS O 2 91 GLY N . 2.400 3.300 3.334 3.178 3.419 0.119 18 0 "[ . 1 . 2 ]" 5
51 2 88 ALA O 2 92 LEU H . . 2.300 2.323 2.100 2.416 0.116 23 0 "[ . 1 . 2 ]" 5
52 2 88 ALA O 2 92 LEU N . 2.400 3.300 3.058 2.842 3.212 . 0 0 "[ . 1 . 2 ]" 5
53 2 93 LYS O 2 97 PHE H . . 2.300 2.377 1.946 2.488 0.188 15 0 "[ . 1 . 2 ]" 5
54 2 93 LYS O 2 97 PHE N . 2.400 3.300 3.261 2.786 3.338 0.038 5 0 "[ . 1 . 2 ]" 5
55 2 94 TYR O 2 98 ALA H . . 2.300 2.037 1.805 2.778 0.478 5 0 "[ . 1 . 2 ]" 5
56 2 94 TYR O 2 98 ALA N . 2.400 3.300 2.778 2.529 3.719 0.419 5 0 "[ . 1 . 2 ]" 5
57 2 95 GLU O 2 99 LYS H . . 2.300 2.220 1.821 2.548 0.248 5 0 "[ . 1 . 2 ]" 5
58 2 95 GLU O 2 99 LYS N . 2.400 3.300 3.094 2.663 3.390 0.090 5 0 "[ . 1 . 2 ]" 5
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