NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
539854 |
2lrk   |
18379 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lrk
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 848
_Distance_constraint_stats_list.Viol_count 412
_Distance_constraint_stats_list.Viol_total 466.339
_Distance_constraint_stats_list.Viol_max 0.412
_Distance_constraint_stats_list.Viol_rms 0.0117
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0012
_Distance_constraint_stats_list.Viol_average_violations_only 0.0539
_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 16 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 17 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 20 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 21 GLN 0.046 0.046 9 0 "[ . 1 . 2 ]"
1 23 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 24 LYS 0.367 0.095 9 0 "[ . 1 . 2 ]"
1 27 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 47 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 48 PHE 2.383 0.220 5 0 "[ . 1 . 2 ]"
1 56 THR 0.032 0.032 19 0 "[ . 1 . 2 ]"
2 5 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 6 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 7 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 8 VAL 2.538 0.220 5 0 "[ . 1 . 2 ]"
2 9 MET 0.337 0.095 9 0 "[ . 1 . 2 ]"
2 10 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 11 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 12 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 13 ILE 0.075 0.046 9 0 "[ . 1 . 2 ]"
2 14 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 15 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 16 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 17 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 18 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 19 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 20 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 21 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 22 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 23 TYR 0.067 0.067 1 0 "[ . 1 . 2 ]"
2 24 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 25 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 26 LEU 0.277 0.092 6 0 "[ . 1 . 2 ]"
2 27 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 28 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 29 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 30 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 31 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 32 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 33 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 34 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 35 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 36 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 37 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 38 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 39 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 40 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 41 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 42 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 43 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 44 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 45 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 46 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 47 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 48 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 49 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 50 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 51 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 52 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 53 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 54 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 55 GLN 0.595 0.101 17 0 "[ . 1 . 2 ]"
2 56 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 57 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 58 LEU 0.379 0.049 8 0 "[ . 1 . 2 ]"
2 59 ILE 0.604 0.100 11 0 "[ . 1 . 2 ]"
2 60 GLU 0.006 0.003 15 0 "[ . 1 . 2 ]"
2 61 GLY 0.012 0.006 18 0 "[ . 1 . 2 ]"
2 62 ASP 0.119 0.053 15 0 "[ . 1 . 2 ]"
2 63 ALA 0.112 0.053 15 0 "[ . 1 . 2 ]"
2 64 GLY 0.052 0.021 13 0 "[ . 1 . 2 ]"
2 65 GLU 0.052 0.021 13 0 "[ . 1 . 2 ]"
2 66 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 67 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 68 MET 0.020 0.018 20 0 "[ . 1 . 2 ]"
2 69 LYS 0.273 0.049 1 0 "[ . 1 . 2 ]"
2 70 VAL 0.253 0.049 1 0 "[ . 1 . 2 ]"
2 71 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 72 LEU 1.869 0.214 16 0 "[ . 1 . 2 ]"
2 73 VAL 0.706 0.097 7 0 "[ . 1 . 2 ]"
2 74 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 75 VAL 1.622 0.412 17 0 "[ . 1 . 2 ]"
2 76 GLU 1.453 0.383 17 0 "[ . 1 . 2 ]"
2 77 ALA 0.482 0.086 21 0 "[ . 1 . 2 ]"
2 78 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 79 LEU 3.375 0.273 2 0 "[ . 1 . 2 ]"
2 80 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 81 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 82 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 83 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 84 SER 0.094 0.088 1 0 "[ . 1 . 2 ]"
2 85 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 86 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 87 ALA 0.114 0.063 1 0 "[ . 1 . 2 ]"
2 88 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 89 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 90 LEU 1.117 0.075 17 0 "[ . 1 . 2 ]"
2 91 ILE 0.004 0.004 19 0 "[ . 1 . 2 ]"
2 92 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 93 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 94 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 95 ILE 0.005 0.005 20 0 "[ . 1 . 2 ]"
2 96 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 97 LEU 1.269 0.100 9 0 "[ . 1 . 2 ]"
2 98 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 99 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 100 LYS 0.096 0.028 17 0 "[ . 1 . 2 ]"
2 101 LEU 2.689 0.196 10 0 "[ . 1 . 2 ]"
3 5 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 6 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 7 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 8 VAL 0.952 0.095 21 0 "[ . 1 . 2 ]"
3 9 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 10 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 11 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 12 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 13 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 14 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 15 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 16 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 17 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 18 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 19 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 20 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 21 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 22 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 23 TYR 0.067 0.067 1 0 "[ . 1 . 2 ]"
3 24 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 25 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 26 LEU 0.013 0.008 20 0 "[ . 1 . 2 ]"
3 27 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 28 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 29 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 30 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 31 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 32 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 33 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 34 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 35 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 36 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 37 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 38 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 39 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 40 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 41 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 42 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 43 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 44 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 45 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 46 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 47 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 48 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 49 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 50 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 51 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 52 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 53 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 54 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 55 GLN 3.300 0.273 2 0 "[ . 1 . 2 ]"
3 56 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 57 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 58 LEU 0.400 0.051 8 0 "[ . 1 . 2 ]"
3 59 ILE 2.099 0.214 16 0 "[ . 1 . 2 ]"
3 60 GLU 0.008 0.002 17 0 "[ . 1 . 2 ]"
3 61 GLY 0.017 0.008 18 0 "[ . 1 . 2 ]"
3 62 ASP 0.117 0.053 15 0 "[ . 1 . 2 ]"
3 63 ALA 0.109 0.053 15 0 "[ . 1 . 2 ]"
3 64 GLY 0.048 0.020 13 0 "[ . 1 . 2 ]"
3 65 GLU 0.048 0.020 13 0 "[ . 1 . 2 ]"
3 66 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 67 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 68 MET 0.025 0.019 20 0 "[ . 1 . 2 ]"
3 69 LYS 0.283 0.050 1 0 "[ . 1 . 2 ]"
3 70 VAL 0.259 0.050 1 0 "[ . 1 . 2 ]"
3 71 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 72 LEU 0.374 0.100 11 0 "[ . 1 . 2 ]"
3 73 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 74 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 75 VAL 1.231 0.383 17 0 "[ . 1 . 2 ]"
3 76 GLU 1.844 0.412 17 0 "[ . 1 . 2 ]"
3 77 ALA 0.552 0.095 21 0 "[ . 1 . 2 ]"
3 78 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 79 LEU 0.671 0.098 17 0 "[ . 1 . 2 ]"
3 80 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 81 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 82 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 83 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 84 SER 0.094 0.088 1 0 "[ . 1 . 2 ]"
3 85 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 86 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 87 ALA 0.114 0.063 1 0 "[ . 1 . 2 ]"
3 88 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 89 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 90 LEU 1.117 0.075 17 0 "[ . 1 . 2 ]"
3 91 ILE 0.004 0.004 19 0 "[ . 1 . 2 ]"
3 92 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 93 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 94 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 95 ILE 0.008 0.008 20 0 "[ . 1 . 2 ]"
3 96 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 97 LEU 1.269 0.100 9 0 "[ . 1 . 2 ]"
3 98 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 99 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 100 LYS 2.363 0.196 10 0 "[ . 1 . 2 ]"
3 101 LEU 0.423 0.080 13 0 "[ . 1 . 2 ]"
4 5 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 6 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 7 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 8 VAL 0.937 0.090 21 0 "[ . 1 . 2 ]"
4 9 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 10 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 11 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 12 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 13 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 14 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 15 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 16 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 17 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 18 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 19 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 20 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 21 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 22 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 23 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 24 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 25 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 26 LEU 0.017 0.011 20 0 "[ . 1 . 2 ]"
4 27 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 28 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 29 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 30 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 31 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 32 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 33 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 34 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 35 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 36 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 37 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 38 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 39 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 40 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 41 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 42 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 43 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 44 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 45 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 46 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 47 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 48 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 49 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 50 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 51 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 52 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 53 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 54 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 55 GLN 3.295 0.273 2 0 "[ . 1 . 2 ]"
4 56 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 57 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 58 LEU 0.392 0.050 8 0 "[ . 1 . 2 ]"
4 59 ILE 2.275 0.214 16 0 "[ . 1 . 2 ]"
4 60 GLU 0.012 0.004 15 0 "[ . 1 . 2 ]"
4 61 GLY 0.020 0.008 18 0 "[ . 1 . 2 ]"
4 62 ASP 0.117 0.053 15 0 "[ . 1 . 2 ]"
4 63 ALA 0.109 0.053 15 0 "[ . 1 . 2 ]"
4 64 GLY 0.048 0.021 13 0 "[ . 1 . 2 ]"
4 65 GLU 0.048 0.021 13 0 "[ . 1 . 2 ]"
4 66 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 67 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 68 MET 0.027 0.022 20 0 "[ . 1 . 2 ]"
4 69 LYS 0.272 0.048 1 0 "[ . 1 . 2 ]"
4 70 VAL 0.245 0.048 1 0 "[ . 1 . 2 ]"
4 71 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 72 LEU 0.230 0.082 11 0 "[ . 1 . 2 ]"
4 73 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 74 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 75 VAL 0.222 0.222 6 0 "[ . 1 . 2 ]"
4 76 GLU 2.853 0.412 17 0 "[ . 1 . 2 ]"
4 77 ALA 0.544 0.090 21 0 "[ . 1 . 2 ]"
4 78 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 79 LEU 0.675 0.101 17 0 "[ . 1 . 2 ]"
4 80 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 81 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 82 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 83 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 84 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 85 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 86 LEU 0.209 0.088 1 0 "[ . 1 . 2 ]"
4 87 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 88 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 89 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 90 LEU 1.453 0.092 6 0 "[ . 1 . 2 ]"
4 91 ILE 0.007 0.007 19 0 "[ . 1 . 2 ]"
4 92 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 93 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 94 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 95 ILE 0.011 0.011 20 0 "[ . 1 . 2 ]"
4 96 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 97 LEU 1.269 0.100 9 0 "[ . 1 . 2 ]"
4 98 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 99 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 100 LYS 2.355 0.196 10 0 "[ . 1 . 2 ]"
4 101 LEU 0.430 0.080 13 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 17 ARG HE 2 16 GLY H 4.000 . 6.000 4.720 3.515 5.983 . 0 0 "[ . 1 . 2 ]" 1
2 1 17 ARG QD 2 17 GLN QE 4.000 . 6.000 4.043 2.455 5.934 . 0 0 "[ . 1 . 2 ]" 1
3 1 21 GLN QG 2 17 GLN QE 4.000 . 6.000 4.801 3.995 5.347 . 0 0 "[ . 1 . 2 ]" 1
4 1 47 LEU QD 2 8 VAL QG 4.000 . 6.000 4.874 4.750 5.161 . 0 0 "[ . 1 . 2 ]" 1
5 1 16 THR HA 2 12 ILE MD 4.000 . 6.500 4.379 4.155 4.754 . 0 0 "[ . 1 . 2 ]" 1
6 1 16 THR HB 2 12 ILE MD 4.000 . 5.500 2.582 2.292 3.106 . 0 0 "[ . 1 . 2 ]" 1
7 1 16 THR MG 2 12 ILE MD 3.000 . 4.500 3.469 3.114 3.657 . 0 0 "[ . 1 . 2 ]" 1
8 1 20 ALA MB 2 12 ILE MD 4.000 . 5.500 4.156 4.054 4.274 . 0 0 "[ . 1 . 2 ]" 1
9 1 47 LEU QD 2 12 ILE MD 3.000 . 4.500 4.066 3.849 4.187 . 0 0 "[ . 1 . 2 ]" 1
10 1 20 ALA HA 2 13 ILE MD 4.000 . 5.500 3.942 3.738 4.235 . 0 0 "[ . 1 . 2 ]" 1
11 1 20 ALA MB 2 13 ILE MD 2.500 . 3.400 2.019 1.934 2.303 . 0 0 "[ . 1 . 2 ]" 1
12 1 21 GLN HG3 2 13 ILE MD 4.000 . 6.500 4.783 4.272 5.531 . 0 0 "[ . 1 . 2 ]" 1
13 1 21 GLN HG2 2 13 ILE MD 4.000 . 6.500 5.777 5.234 6.546 0.046 9 0 "[ . 1 . 2 ]" 1
14 1 23 VAL HB 2 13 ILE MD 4.000 . 6.500 5.174 4.971 5.447 . 0 0 "[ . 1 . 2 ]" 1
15 1 24 LYS HA 2 13 ILE MD 4.000 . 6.500 5.734 5.422 6.000 . 0 0 "[ . 1 . 2 ]" 1
16 1 24 LYS QD 2 13 ILE MD 3.000 . 4.000 2.301 2.029 2.587 . 0 0 "[ . 1 . 2 ]" 1
17 1 24 LYS QE 2 13 ILE MD 3.000 . 4.000 1.921 1.776 2.133 0.024 3 0 "[ . 1 . 2 ]" 1
18 1 24 LYS QG 2 13 ILE MD 4.000 . 5.500 3.211 2.861 3.456 . 0 0 "[ . 1 . 2 ]" 1
19 1 56 THR HB 4 53 LEU QD 3.000 . 4.000 2.563 2.067 3.499 . 0 0 "[ . 1 . 2 ]" 1
20 1 56 THR MG 4 53 LEU QD 2.500 . 3.900 2.823 2.352 3.337 . 0 0 "[ . 1 . 2 ]" 1
21 1 47 LEU QD 2 73 VAL QG 4.000 . 7.000 6.567 6.357 6.969 . 0 0 "[ . 1 . 2 ]" 1
22 1 48 PHE QR 2 8 VAL QG 4.000 . 5.500 5.576 5.431 5.720 0.220 5 0 "[ . 1 . 2 ]" 1
23 1 48 PHE QR 2 73 VAL QG 4.000 . 5.500 5.498 5.229 5.597 0.097 7 0 "[ . 1 . 2 ]" 1
24 1 20 ALA HA 2 9 MET ME 4.000 . 6.500 2.682 2.232 3.561 . 0 0 "[ . 1 . 2 ]" 1
25 1 20 ALA MB 2 9 MET ME 3.000 . 4.500 2.217 1.961 2.926 . 0 0 "[ . 1 . 2 ]" 1
26 1 23 VAL HB 2 9 MET ME 4.000 . 7.000 3.403 3.011 4.070 . 0 0 "[ . 1 . 2 ]" 1
27 1 23 VAL QG 2 9 MET ME 2.500 . 3.900 2.832 2.613 3.111 . 0 0 "[ . 1 . 2 ]" 1
28 1 24 LYS HA 2 9 MET ME 4.000 . 5.500 5.354 5.137 5.586 0.086 9 0 "[ . 1 . 2 ]" 1
29 1 24 LYS QD 2 9 MET ME 4.000 . 5.500 4.616 4.218 4.961 . 0 0 "[ . 1 . 2 ]" 1
30 1 24 LYS QE 2 9 MET ME 2.500 . 3.400 3.112 2.564 3.495 0.095 9 0 "[ . 1 . 2 ]" 1
31 1 24 LYS QG 2 9 MET ME 4.000 . 5.500 3.473 3.165 3.851 . 0 0 "[ . 1 . 2 ]" 1
32 1 27 LYS QE 2 9 MET ME 4.000 . 5.500 4.607 4.251 4.994 . 0 0 "[ . 1 . 2 ]" 1
33 1 47 LEU QD 2 9 MET ME 4.000 . 6.000 2.062 1.923 2.418 . 0 0 "[ . 1 . 2 ]" 1
34 1 20 ALA MB 2 9 MET QG 4.000 . 5.500 3.251 2.875 3.914 . 0 0 "[ . 1 . 2 ]" 1
35 1 23 VAL QG 2 9 MET QG 4.000 . 7.000 5.174 4.999 5.415 . 0 0 "[ . 1 . 2 ]" 1
36 1 24 LYS QE 2 9 MET QG 4.000 . 6.500 5.143 4.734 5.715 . 0 0 "[ . 1 . 2 ]" 1
37 1 47 LEU QD 2 9 MET QG 4.000 . 5.500 2.493 2.320 2.939 . 0 0 "[ . 1 . 2 ]" 1
38 1 56 THR MG 4 53 LEU HA 4.000 . 6.500 3.584 3.151 4.162 . 0 0 "[ . 1 . 2 ]" 1
39 1 47 LEU QD 2 12 ILE QG 4.000 . 7.000 4.635 4.293 4.811 . 0 0 "[ . 1 . 2 ]" 1
40 1 56 THR HG1 4 59 ILE MD 4.000 . 6.500 5.963 5.278 6.532 0.032 19 0 "[ . 1 . 2 ]" 1
41 2 5 GLU H 2 6 GLU H 3.000 . 3.500 2.684 2.647 2.727 . 0 0 "[ . 1 . 2 ]" 1
42 2 5 GLU H 2 7 VAL H 4.000 . 5.000 3.915 3.886 3.961 . 0 0 "[ . 1 . 2 ]" 1
43 2 6 GLU H 2 8 VAL H 4.000 . 5.000 4.185 4.165 4.225 . 0 0 "[ . 1 . 2 ]" 1
44 2 6 GLU H 2 9 MET H 4.000 . 5.000 4.892 4.860 4.911 . 0 0 "[ . 1 . 2 ]" 1
45 2 7 VAL H 2 8 VAL H 3.000 . 3.500 2.655 2.642 2.673 . 0 0 "[ . 1 . 2 ]" 1
46 2 7 VAL H 2 9 MET H 4.000 . 5.000 4.187 4.146 4.217 . 0 0 "[ . 1 . 2 ]" 1
47 2 8 VAL H 2 9 MET H 3.000 . 3.500 2.704 2.680 2.719 . 0 0 "[ . 1 . 2 ]" 1
48 2 8 VAL H 2 10 GLY H 4.000 . 5.000 4.093 4.063 4.116 . 0 0 "[ . 1 . 2 ]" 1
49 2 9 MET H 2 10 GLY H 3.000 . 3.500 2.678 2.664 2.691 . 0 0 "[ . 1 . 2 ]" 1
50 2 9 MET H 2 11 LEU H 4.000 . 5.000 4.113 4.086 4.132 . 0 0 "[ . 1 . 2 ]" 1
51 2 10 GLY H 2 11 LEU H 3.000 . 3.500 2.625 2.612 2.642 . 0 0 "[ . 1 . 2 ]" 1
52 2 10 GLY H 2 12 ILE H 4.000 . 5.000 4.109 4.085 4.128 . 0 0 "[ . 1 . 2 ]" 1
53 2 10 GLY H 2 13 ILE H 4.000 . 6.000 4.691 4.672 4.703 . 0 0 "[ . 1 . 2 ]" 1
54 2 10 GLY H 2 14 ASN H 4.000 . 6.000 5.875 5.823 5.924 . 0 0 "[ . 1 . 2 ]" 1
55 2 11 LEU H 2 12 ILE H 3.000 . 3.500 2.664 2.658 2.673 . 0 0 "[ . 1 . 2 ]" 1
56 2 11 LEU H 2 13 ILE H 4.000 . 5.000 4.127 4.116 4.139 . 0 0 "[ . 1 . 2 ]" 1
57 2 12 ILE H 2 13 ILE H 3.000 . 3.500 2.643 2.636 2.650 . 0 0 "[ . 1 . 2 ]" 1
58 2 14 ASN H 2 15 SER H 3.000 . 3.500 2.723 2.713 2.742 . 0 0 "[ . 1 . 2 ]" 1
59 2 15 SER H 2 16 GLY H 3.000 . 3.500 2.725 2.714 2.731 . 0 0 "[ . 1 . 2 ]" 1
60 2 15 SER H 2 17 GLN H 4.000 . 5.000 4.130 4.102 4.152 . 0 0 "[ . 1 . 2 ]" 1
61 2 16 GLY H 2 19 ARG H 4.000 . 6.000 4.772 4.737 4.827 . 0 0 "[ . 1 . 2 ]" 1
62 2 17 GLN H 2 19 ARG H 4.000 . 5.000 4.240 4.209 4.269 . 0 0 "[ . 1 . 2 ]" 1
63 2 18 ALA H 2 19 ARG H 3.000 . 3.500 2.782 2.744 2.797 . 0 0 "[ . 1 . 2 ]" 1
64 2 19 ARG H 2 20 SER H 3.000 . 3.500 2.710 2.696 2.725 . 0 0 "[ . 1 . 2 ]" 1
65 2 19 ARG H 2 21 LEU H 4.000 . 5.000 4.139 4.094 4.158 . 0 0 "[ . 1 . 2 ]" 1
66 2 19 ARG H 2 22 ALA H 4.000 . 6.000 4.601 4.582 4.629 . 0 0 "[ . 1 . 2 ]" 1
67 2 20 SER H 2 22 ALA H 4.000 . 5.000 4.100 4.073 4.125 . 0 0 "[ . 1 . 2 ]" 1
68 2 20 SER H 2 23 TYR H 4.000 . 6.000 4.741 4.692 4.785 . 0 0 "[ . 1 . 2 ]" 1
69 2 21 LEU H 2 22 ALA H 3.000 . 3.500 2.640 2.628 2.650 . 0 0 "[ . 1 . 2 ]" 1
70 2 21 LEU H 2 23 TYR H 4.000 . 5.000 4.236 4.198 4.256 . 0 0 "[ . 1 . 2 ]" 1
71 2 21 LEU H 2 24 ALA H 4.000 . 5.000 4.604 4.570 4.655 . 0 0 "[ . 1 . 2 ]" 1
72 2 22 ALA H 2 23 TYR H 3.000 . 3.500 2.747 2.726 2.765 . 0 0 "[ . 1 . 2 ]" 1
73 2 22 ALA H 2 24 ALA H 4.000 . 5.000 4.021 3.986 4.052 . 0 0 "[ . 1 . 2 ]" 1
74 2 23 TYR H 2 24 ALA H 3.000 . 3.500 2.683 2.667 2.704 . 0 0 "[ . 1 . 2 ]" 1
75 2 23 TYR H 2 25 ALA H 4.000 . 5.000 4.119 4.089 4.155 . 0 0 "[ . 1 . 2 ]" 1
76 2 23 TYR H 2 26 LEU H 4.000 . 6.000 4.788 4.737 4.831 . 0 0 "[ . 1 . 2 ]" 1
77 2 24 ALA H 2 26 LEU H 4.000 . 5.000 4.141 4.113 4.187 . 0 0 "[ . 1 . 2 ]" 1
78 2 25 ALA H 2 26 LEU H 3.000 . 3.500 2.693 2.679 2.710 . 0 0 "[ . 1 . 2 ]" 1
79 2 25 ALA H 2 27 LYS H 4.000 . 6.000 4.162 4.127 4.192 . 0 0 "[ . 1 . 2 ]" 1
80 2 26 LEU H 2 27 LYS H 3.000 . 3.500 2.686 2.677 2.696 . 0 0 "[ . 1 . 2 ]" 1
81 2 26 LEU H 2 28 GLN H 4.000 . 6.000 4.095 4.071 4.133 . 0 0 "[ . 1 . 2 ]" 1
82 2 27 LYS H 2 29 ALA H 4.000 . 6.000 4.144 4.126 4.181 . 0 0 "[ . 1 . 2 ]" 1
83 2 28 GLN H 2 29 ALA H 3.000 . 3.500 2.650 2.631 2.678 . 0 0 "[ . 1 . 2 ]" 1
84 2 29 ALA H 2 31 GLN H 4.000 . 6.000 3.928 3.896 3.971 . 0 0 "[ . 1 . 2 ]" 1
85 2 29 ALA HA 2 32 GLY H 4.000 . 6.000 3.426 3.347 3.483 . 0 0 "[ . 1 . 2 ]" 1
86 2 29 ALA H 2 33 ASP H 4.000 . 6.000 4.850 4.713 4.967 . 0 0 "[ . 1 . 2 ]" 1
87 2 29 ALA HA 2 34 PHE H 4.000 . 5.000 4.679 4.482 4.928 . 0 0 "[ . 1 . 2 ]" 1
88 2 30 LYS H 2 31 GLN H 3.000 . 3.500 2.610 2.600 2.622 . 0 0 "[ . 1 . 2 ]" 1
89 2 30 LYS HA 2 31 GLN H 4.000 . 6.000 3.482 3.476 3.490 . 0 0 "[ . 1 . 2 ]" 1
90 2 30 LYS HA 2 32 GLY H 4.000 . 6.000 3.608 3.556 3.668 . 0 0 "[ . 1 . 2 ]" 1
91 2 30 LYS HA 2 33 ASP H 4.000 . 6.000 5.763 5.663 5.885 . 0 0 "[ . 1 . 2 ]" 1
92 2 31 GLN H 2 32 GLY H 2.500 . 2.900 2.463 2.425 2.500 . 0 0 "[ . 1 . 2 ]" 1
93 2 31 GLN H 2 33 ASP H 4.000 . 5.000 3.477 3.450 3.501 . 0 0 "[ . 1 . 2 ]" 1
94 2 32 GLY QA 2 33 ASP H 3.000 . 3.500 2.908 2.890 2.917 . 0 0 "[ . 1 . 2 ]" 1
95 2 32 GLY H 2 33 ASP H 2.500 . 2.900 2.389 2.357 2.431 . 0 0 "[ . 1 . 2 ]" 1
96 2 33 ASP HA 2 34 PHE H 2.500 . 2.900 2.373 2.357 2.393 . 0 0 "[ . 1 . 2 ]" 1
97 2 33 ASP HA 2 35 ALA H 4.000 . 5.000 3.426 3.397 3.445 . 0 0 "[ . 1 . 2 ]" 1
98 2 34 PHE H 2 35 ALA H 3.000 . 3.500 2.614 2.600 2.632 . 0 0 "[ . 1 . 2 ]" 1
99 2 34 PHE H 2 36 ALA H 4.000 . 6.000 4.398 4.364 4.442 . 0 0 "[ . 1 . 2 ]" 1
100 2 35 ALA H 2 36 ALA H 3.000 . 3.500 2.715 2.695 2.747 . 0 0 "[ . 1 . 2 ]" 1
101 2 35 ALA H 2 38 LYS H 4.000 . 5.000 4.790 4.743 4.834 . 0 0 "[ . 1 . 2 ]" 1
102 2 36 ALA H 2 37 ALA H 3.000 . 3.500 2.579 2.567 2.594 . 0 0 "[ . 1 . 2 ]" 1
103 2 37 ALA H 2 38 LYS H 3.000 . 3.500 2.734 2.709 2.760 . 0 0 "[ . 1 . 2 ]" 1
104 2 38 LYS H 2 39 ALA H 3.000 . 3.500 2.713 2.685 2.737 . 0 0 "[ . 1 . 2 ]" 1
105 2 38 LYS H 2 40 MET H 4.000 . 5.000 4.193 4.113 4.266 . 0 0 "[ . 1 . 2 ]" 1
106 2 39 ALA H 2 40 MET H 3.000 . 3.500 2.685 2.622 2.720 . 0 0 "[ . 1 . 2 ]" 1
107 2 39 ALA H 2 41 MET H 4.000 . 5.000 4.146 4.086 4.340 . 0 0 "[ . 1 . 2 ]" 1
108 2 40 MET H 2 41 MET H 3.000 . 3.500 2.640 2.620 2.688 . 0 0 "[ . 1 . 2 ]" 1
109 2 41 MET H 2 42 ASP H 3.000 . 3.500 2.666 2.620 2.713 . 0 0 "[ . 1 . 2 ]" 1
110 2 41 MET H 2 43 GLN H 4.000 . 5.000 4.226 4.164 4.325 . 0 0 "[ . 1 . 2 ]" 1
111 2 42 ASP H 2 43 GLN H 3.000 . 3.500 2.693 2.648 2.729 . 0 0 "[ . 1 . 2 ]" 1
112 2 43 GLN H 2 44 SER H 3.000 . 3.500 2.661 2.654 2.670 . 0 0 "[ . 1 . 2 ]" 1
113 2 43 GLN H 2 45 ARG H 4.000 . 5.000 4.261 4.229 4.292 . 0 0 "[ . 1 . 2 ]" 1
114 2 44 SER H 2 46 MET H 4.000 . 5.000 4.149 4.131 4.173 . 0 0 "[ . 1 . 2 ]" 1
115 2 45 ARG H 2 46 MET H 3.000 . 3.500 2.710 2.698 2.721 . 0 0 "[ . 1 . 2 ]" 1
116 2 45 ARG H 2 47 ALA H 4.000 . 5.000 4.188 4.160 4.228 . 0 0 "[ . 1 . 2 ]" 1
117 2 46 MET H 2 47 ALA H 3.000 . 3.500 2.659 2.644 2.683 . 0 0 "[ . 1 . 2 ]" 1
118 2 47 ALA H 2 48 LEU H 3.000 . 3.500 2.662 2.629 2.686 . 0 0 "[ . 1 . 2 ]" 1
119 2 47 ALA H 2 49 ASN H 4.000 . 5.000 4.068 4.042 4.088 . 0 0 "[ . 1 . 2 ]" 1
120 2 48 LEU H 2 49 ASN H 3.000 . 3.500 2.618 2.602 2.636 . 0 0 "[ . 1 . 2 ]" 1
121 2 50 GLU H 2 51 ALA H 3.000 . 3.500 2.599 2.588 2.607 . 0 0 "[ . 1 . 2 ]" 1
122 2 50 GLU H 2 52 HIS H 4.000 . 5.000 4.157 4.123 4.189 . 0 0 "[ . 1 . 2 ]" 1
123 2 51 ALA H 2 52 HIS H 3.000 . 3.500 2.640 2.623 2.653 . 0 0 "[ . 1 . 2 ]" 1
124 2 51 ALA H 2 53 LEU H 4.000 . 5.000 4.011 3.986 4.037 . 0 0 "[ . 1 . 2 ]" 1
125 2 52 HIS H 2 53 LEU H 3.000 . 3.500 2.668 2.632 2.701 . 0 0 "[ . 1 . 2 ]" 1
126 2 52 HIS H 2 54 VAL H 4.000 . 5.000 4.269 4.235 4.311 . 0 0 "[ . 1 . 2 ]" 1
127 2 52 HIS H 2 55 GLN H 4.000 . 6.000 4.724 4.673 4.792 . 0 0 "[ . 1 . 2 ]" 1
128 2 53 LEU H 2 54 VAL H 3.000 . 3.500 2.703 2.688 2.724 . 0 0 "[ . 1 . 2 ]" 1
129 2 54 VAL H 2 55 GLN H 3.000 . 3.500 2.620 2.596 2.641 . 0 0 "[ . 1 . 2 ]" 1
130 2 56 THR H 2 57 LYS H 3.000 . 3.500 2.764 2.721 2.798 . 0 0 "[ . 1 . 2 ]" 1
131 2 56 THR H 2 58 LEU H 4.000 . 5.000 4.140 4.073 4.188 . 0 0 "[ . 1 . 2 ]" 1
132 2 57 LYS H 2 58 LEU H 3.000 . 3.500 2.645 2.612 2.682 . 0 0 "[ . 1 . 2 ]" 1
133 2 57 LYS H 2 59 ILE H 4.000 . 5.000 4.087 3.970 4.637 . 0 0 "[ . 1 . 2 ]" 1
134 2 58 LEU H 2 59 ILE H 3.000 . 3.500 2.595 2.539 2.762 . 0 0 "[ . 1 . 2 ]" 1
135 2 59 ILE H 2 60 GLU H 3.000 . 3.500 2.421 2.224 2.724 . 0 0 "[ . 1 . 2 ]" 1
136 2 60 GLU HA 2 61 GLY H 3.000 . 3.500 3.396 3.328 3.503 0.003 15 0 "[ . 1 . 2 ]" 1
137 2 61 GLY QA 2 62 ASP H 2.500 . 2.900 2.483 2.166 2.906 0.006 18 0 "[ . 1 . 2 ]" 1
138 2 62 ASP HA 2 63 ALA H 3.000 . 3.500 2.680 2.145 3.553 0.053 15 0 "[ . 1 . 2 ]" 1
139 2 63 ALA HA 2 64 GLY H 3.000 . 3.500 2.235 2.166 2.664 . 0 0 "[ . 1 . 2 ]" 1
140 2 64 GLY QA 2 65 GLU H 2.500 . 2.900 2.406 2.121 2.921 0.021 13 0 "[ . 1 . 2 ]" 1
141 2 65 GLU HA 2 66 GLY H 3.000 . 3.500 2.154 2.142 2.178 . 0 0 "[ . 1 . 2 ]" 1
142 2 66 GLY QA 2 67 LYS H 3.000 . 3.500 2.860 2.744 2.925 . 0 0 "[ . 1 . 2 ]" 1
143 2 67 LYS HA 2 68 MET H 3.000 . 3.500 2.231 2.144 2.756 . 0 0 "[ . 1 . 2 ]" 1
144 2 68 MET HA 2 69 LYS H 3.000 . 3.500 2.736 2.189 3.518 0.018 20 0 "[ . 1 . 2 ]" 1
145 2 69 LYS HA 2 70 VAL H 3.000 . 3.500 3.437 3.278 3.549 0.049 1 0 "[ . 1 . 2 ]" 1
146 2 70 VAL HA 2 71 SER H 3.000 . 3.500 2.313 2.137 3.013 . 0 0 "[ . 1 . 2 ]" 1
147 2 72 LEU H 2 73 VAL H 3.000 . 3.500 2.775 2.742 2.819 . 0 0 "[ . 1 . 2 ]" 1
148 2 72 LEU H 2 74 LEU H 4.000 . 6.000 4.280 4.234 4.336 . 0 0 "[ . 1 . 2 ]" 1
149 2 73 VAL H 2 74 LEU H 3.000 . 3.500 2.720 2.697 2.736 . 0 0 "[ . 1 . 2 ]" 1
150 2 73 VAL H 2 75 VAL H 4.000 . 5.000 4.122 4.101 4.177 . 0 0 "[ . 1 . 2 ]" 1
151 2 74 LEU H 2 75 VAL H 3.000 . 3.500 2.633 2.614 2.649 . 0 0 "[ . 1 . 2 ]" 1
152 2 74 LEU H 2 76 GLU H 4.000 . 5.000 4.335 4.301 4.374 . 0 0 "[ . 1 . 2 ]" 1
153 2 74 LEU H 2 77 ALA H 4.000 . 6.000 4.891 4.860 4.931 . 0 0 "[ . 1 . 2 ]" 1
154 2 75 VAL H 2 78 GLN H 4.000 . 6.000 4.651 4.626 4.690 . 0 0 "[ . 1 . 2 ]" 1
155 2 76 GLU H 2 77 ALA H 3.000 . 3.500 2.778 2.754 2.801 . 0 0 "[ . 1 . 2 ]" 1
156 2 76 GLU H 2 78 GLN H 4.000 . 5.000 4.189 4.155 4.236 . 0 0 "[ . 1 . 2 ]" 1
157 2 77 ALA H 2 78 GLN H 3.000 . 3.500 2.668 2.646 2.705 . 0 0 "[ . 1 . 2 ]" 1
158 2 77 ALA H 2 79 LEU H 4.000 . 5.000 4.103 4.062 4.134 . 0 0 "[ . 1 . 2 ]" 1
159 2 77 ALA H 2 80 HIS H 4.000 . 6.000 4.972 4.928 5.011 . 0 0 "[ . 1 . 2 ]" 1
160 2 78 GLN H 2 79 LEU H 3.000 . 3.500 2.646 2.624 2.658 . 0 0 "[ . 1 . 2 ]" 1
161 2 78 GLN H 2 80 HIS H 4.000 . 5.000 4.326 4.290 4.377 . 0 0 "[ . 1 . 2 ]" 1
162 2 79 LEU H 2 80 HIS H 3.000 . 3.500 2.804 2.789 2.830 . 0 0 "[ . 1 . 2 ]" 1
163 2 79 LEU H 2 82 MET H 4.000 . 6.000 4.663 4.640 4.692 . 0 0 "[ . 1 . 2 ]" 1
164 2 80 HIS H 2 81 LEU H 3.000 . 3.500 2.664 2.654 2.675 . 0 0 "[ . 1 . 2 ]" 1
165 2 80 HIS H 2 82 MET H 4.000 . 5.000 4.184 4.149 4.235 . 0 0 "[ . 1 . 2 ]" 1
166 2 81 LEU H 2 82 MET H 3.000 . 3.500 2.749 2.733 2.758 . 0 0 "[ . 1 . 2 ]" 1
167 2 81 LEU H 2 83 THR H 4.000 . 5.000 4.192 4.174 4.228 . 0 0 "[ . 1 . 2 ]" 1
168 2 81 LEU H 2 84 SER H 4.000 . 6.000 4.706 4.650 4.737 . 0 0 "[ . 1 . 2 ]" 1
169 2 82 MET H 2 83 THR H 3.000 . 3.500 2.701 2.689 2.726 . 0 0 "[ . 1 . 2 ]" 1
170 2 82 MET H 2 84 SER H 4.000 . 5.000 4.202 4.153 4.232 . 0 0 "[ . 1 . 2 ]" 1
171 2 82 MET H 2 85 MET H 4.000 . 6.000 4.680 4.642 4.710 . 0 0 "[ . 1 . 2 ]" 1
172 2 83 THR H 2 84 SER H 3.000 . 3.500 2.679 2.654 2.699 . 0 0 "[ . 1 . 2 ]" 1
173 2 83 THR H 2 85 MET H 4.000 . 5.000 4.236 4.202 4.273 . 0 0 "[ . 1 . 2 ]" 1
174 2 84 SER H 2 85 MET H 3.000 . 3.500 2.753 2.732 2.769 . 0 0 "[ . 1 . 2 ]" 1
175 2 84 SER H 2 86 LEU H 4.000 . 5.000 4.263 4.239 4.280 . 0 0 "[ . 1 . 2 ]" 1
176 2 85 MET H 2 86 LEU H 3.000 . 3.500 2.816 2.803 2.834 . 0 0 "[ . 1 . 2 ]" 1
177 2 85 MET H 2 87 ALA H 4.000 . 5.000 4.198 4.159 4.221 . 0 0 "[ . 1 . 2 ]" 1
178 2 86 LEU H 2 87 ALA H 3.000 . 3.500 2.677 2.665 2.690 . 0 0 "[ . 1 . 2 ]" 1
179 2 86 LEU H 2 88 ARG H 4.000 . 5.000 4.212 4.159 4.255 . 0 0 "[ . 1 . 2 ]" 1
180 2 86 LEU H 2 89 GLU H 4.000 . 6.000 4.744 4.697 4.798 . 0 0 "[ . 1 . 2 ]" 1
181 2 87 ALA H 2 89 GLU H 4.000 . 5.000 4.199 4.175 4.251 . 0 0 "[ . 1 . 2 ]" 1
182 2 88 ARG H 2 89 GLU H 3.000 . 3.500 2.760 2.722 2.782 . 0 0 "[ . 1 . 2 ]" 1
183 2 88 ARG H 2 91 ILE H 4.000 . 5.000 4.632 4.564 4.662 . 0 0 "[ . 1 . 2 ]" 1
184 2 89 GLU H 2 91 ILE H 4.000 . 5.000 4.105 4.035 4.147 . 0 0 "[ . 1 . 2 ]" 1
185 2 90 LEU H 2 91 ILE H 3.000 . 3.500 2.608 2.586 2.623 . 0 0 "[ . 1 . 2 ]" 1
186 2 90 LEU H 2 92 THR H 4.000 . 5.000 4.083 4.060 4.110 . 0 0 "[ . 1 . 2 ]" 1
187 2 90 LEU H 2 93 GLU H 4.000 . 6.000 4.841 4.806 4.880 . 0 0 "[ . 1 . 2 ]" 1
188 2 91 ILE H 2 92 THR H 3.000 . 3.500 2.690 2.681 2.700 . 0 0 "[ . 1 . 2 ]" 1
189 2 91 ILE H 2 93 GLU H 4.000 . 5.000 4.215 4.188 4.233 . 0 0 "[ . 1 . 2 ]" 1
190 2 91 ILE H 2 94 LEU H 4.000 . 6.000 4.629 4.600 4.661 . 0 0 "[ . 1 . 2 ]" 1
191 2 92 THR H 2 93 GLU H 3.000 . 3.500 2.741 2.727 2.752 . 0 0 "[ . 1 . 2 ]" 1
192 2 93 GLU H 2 94 LEU H 3.000 . 3.500 2.638 2.628 2.656 . 0 0 "[ . 1 . 2 ]" 1
193 2 93 GLU H 2 95 ILE H 4.000 . 5.000 4.118 4.105 4.131 . 0 0 "[ . 1 . 2 ]" 1
194 2 93 GLU H 2 96 GLU H 4.000 . 6.000 4.665 4.633 4.703 . 0 0 "[ . 1 . 2 ]" 1
195 2 94 LEU H 2 95 ILE H 3.000 . 3.500 2.701 2.685 2.711 . 0 0 "[ . 1 . 2 ]" 1
196 2 94 LEU H 2 96 GLU H 4.000 . 5.000 4.104 4.093 4.114 . 0 0 "[ . 1 . 2 ]" 1
197 2 95 ILE H 2 96 GLU H 3.000 . 3.500 2.680 2.671 2.690 . 0 0 "[ . 1 . 2 ]" 1
198 2 95 ILE H 2 97 LEU H 4.000 . 5.000 4.050 4.020 4.084 . 0 0 "[ . 1 . 2 ]" 1
199 2 95 ILE H 2 98 HIS H 4.000 . 6.000 4.744 4.696 4.781 . 0 0 "[ . 1 . 2 ]" 1
200 2 96 GLU H 2 99 GLU H 4.000 . 6.000 4.811 4.736 4.847 . 0 0 "[ . 1 . 2 ]" 1
201 2 97 LEU H 2 98 HIS H 3.000 . 3.500 2.659 2.648 2.669 . 0 0 "[ . 1 . 2 ]" 1
202 2 97 LEU H 2 99 GLU H 4.000 . 5.000 4.085 4.061 4.112 . 0 0 "[ . 1 . 2 ]" 1
203 2 97 LEU H 2 100 LYS H 4.000 . 5.000 4.797 4.647 4.874 . 0 0 "[ . 1 . 2 ]" 1
204 2 98 HIS H 2 99 GLU H 3.000 . 3.500 2.667 2.649 2.693 . 0 0 "[ . 1 . 2 ]" 1
205 2 98 HIS H 2 101 LEU H 4.000 . 6.000 4.792 4.701 4.838 . 0 0 "[ . 1 . 2 ]" 1
206 2 99 GLU H 2 100 LYS H 3.000 . 3.500 2.661 2.604 2.723 . 0 0 "[ . 1 . 2 ]" 1
207 2 99 GLU H 2 101 LEU H 4.000 . 5.000 4.078 4.011 4.129 . 0 0 "[ . 1 . 2 ]" 1
208 2 100 LYS H 2 101 LEU H 3.000 . 3.500 2.612 2.589 2.651 . 0 0 "[ . 1 . 2 ]" 1
209 3 5 GLU H 3 6 GLU H 3.000 . 3.500 2.679 2.648 2.722 . 0 0 "[ . 1 . 2 ]" 1
210 3 5 GLU H 3 7 VAL H 4.000 . 5.000 3.916 3.891 3.960 . 0 0 "[ . 1 . 2 ]" 1
211 3 6 GLU H 3 8 VAL H 4.000 . 5.000 4.185 4.157 4.231 . 0 0 "[ . 1 . 2 ]" 1
212 3 6 GLU H 3 9 MET H 4.000 . 5.000 4.891 4.860 4.909 . 0 0 "[ . 1 . 2 ]" 1
213 3 7 VAL H 3 8 VAL H 3.000 . 3.500 2.655 2.645 2.668 . 0 0 "[ . 1 . 2 ]" 1
214 3 7 VAL H 3 9 MET H 4.000 . 5.000 4.186 4.143 4.216 . 0 0 "[ . 1 . 2 ]" 1
215 3 8 VAL H 3 9 MET H 3.000 . 3.500 2.701 2.677 2.714 . 0 0 "[ . 1 . 2 ]" 1
216 3 8 VAL H 3 10 GLY H 4.000 . 5.000 4.092 4.064 4.118 . 0 0 "[ . 1 . 2 ]" 1
217 3 9 MET H 3 10 GLY H 3.000 . 3.500 2.678 2.666 2.691 . 0 0 "[ . 1 . 2 ]" 1
218 3 9 MET H 3 11 LEU H 4.000 . 5.000 4.111 4.079 4.128 . 0 0 "[ . 1 . 2 ]" 1
219 3 10 GLY H 3 11 LEU H 3.000 . 3.500 2.625 2.612 2.645 . 0 0 "[ . 1 . 2 ]" 1
220 3 10 GLY H 3 12 ILE H 4.000 . 5.000 4.109 4.089 4.128 . 0 0 "[ . 1 . 2 ]" 1
221 3 10 GLY H 3 13 ILE H 4.000 . 6.000 4.692 4.675 4.703 . 0 0 "[ . 1 . 2 ]" 1
222 3 10 GLY H 3 14 ASN H 4.000 . 6.000 5.875 5.824 5.921 . 0 0 "[ . 1 . 2 ]" 1
223 3 11 LEU H 3 12 ILE H 3.000 . 3.500 2.662 2.657 2.672 . 0 0 "[ . 1 . 2 ]" 1
224 3 11 LEU H 3 13 ILE H 4.000 . 5.000 4.128 4.119 4.140 . 0 0 "[ . 1 . 2 ]" 1
225 3 12 ILE H 3 13 ILE H 3.000 . 3.500 2.643 2.636 2.650 . 0 0 "[ . 1 . 2 ]" 1
226 3 14 ASN H 3 15 SER H 3.000 . 3.500 2.726 2.717 2.740 . 0 0 "[ . 1 . 2 ]" 1
227 3 15 SER H 3 16 GLY H 3.000 . 3.500 2.724 2.716 2.734 . 0 0 "[ . 1 . 2 ]" 1
228 3 15 SER H 3 17 GLN H 4.000 . 5.000 4.132 4.112 4.152 . 0 0 "[ . 1 . 2 ]" 1
229 3 16 GLY H 3 19 ARG H 4.000 . 6.000 4.775 4.739 4.825 . 0 0 "[ . 1 . 2 ]" 1
230 3 17 GLN H 3 19 ARG H 4.000 . 5.000 4.242 4.207 4.270 . 0 0 "[ . 1 . 2 ]" 1
231 3 18 ALA H 3 19 ARG H 3.000 . 3.500 2.784 2.749 2.800 . 0 0 "[ . 1 . 2 ]" 1
232 3 19 ARG H 3 20 SER H 3.000 . 3.500 2.708 2.695 2.725 . 0 0 "[ . 1 . 2 ]" 1
233 3 19 ARG H 3 21 LEU H 4.000 . 5.000 4.138 4.098 4.163 . 0 0 "[ . 1 . 2 ]" 1
234 3 19 ARG H 3 22 ALA H 4.000 . 6.000 4.602 4.581 4.633 . 0 0 "[ . 1 . 2 ]" 1
235 3 20 SER H 3 22 ALA H 4.000 . 5.000 4.103 4.081 4.125 . 0 0 "[ . 1 . 2 ]" 1
236 3 20 SER H 3 23 TYR H 4.000 . 6.000 4.742 4.694 4.784 . 0 0 "[ . 1 . 2 ]" 1
237 3 21 LEU H 3 22 ALA H 3.000 . 3.500 2.642 2.628 2.657 . 0 0 "[ . 1 . 2 ]" 1
238 3 21 LEU H 3 23 TYR H 4.000 . 5.000 4.235 4.199 4.250 . 0 0 "[ . 1 . 2 ]" 1
239 3 21 LEU H 3 24 ALA H 4.000 . 5.000 4.601 4.568 4.656 . 0 0 "[ . 1 . 2 ]" 1
240 3 22 ALA H 3 23 TYR H 3.000 . 3.500 2.747 2.722 2.770 . 0 0 "[ . 1 . 2 ]" 1
241 3 22 ALA H 3 24 ALA H 4.000 . 5.000 4.018 3.990 4.046 . 0 0 "[ . 1 . 2 ]" 1
242 3 23 TYR H 3 24 ALA H 3.000 . 3.500 2.681 2.664 2.702 . 0 0 "[ . 1 . 2 ]" 1
243 3 23 TYR H 3 25 ALA H 4.000 . 5.000 4.119 4.086 4.157 . 0 0 "[ . 1 . 2 ]" 1
244 3 23 TYR H 3 26 LEU H 4.000 . 6.000 4.788 4.740 4.830 . 0 0 "[ . 1 . 2 ]" 1
245 3 24 ALA H 3 26 LEU H 4.000 . 5.000 4.141 4.114 4.188 . 0 0 "[ . 1 . 2 ]" 1
246 3 25 ALA H 3 26 LEU H 3.000 . 3.500 2.694 2.678 2.707 . 0 0 "[ . 1 . 2 ]" 1
247 3 25 ALA H 3 27 LYS H 4.000 . 6.000 4.162 4.127 4.197 . 0 0 "[ . 1 . 2 ]" 1
248 3 26 LEU H 3 27 LYS H 3.000 . 3.500 2.689 2.675 2.697 . 0 0 "[ . 1 . 2 ]" 1
249 3 26 LEU H 3 28 GLN H 4.000 . 6.000 4.097 4.080 4.131 . 0 0 "[ . 1 . 2 ]" 1
250 3 27 LYS H 3 29 ALA H 4.000 . 6.000 4.145 4.115 4.177 . 0 0 "[ . 1 . 2 ]" 1
251 3 28 GLN H 3 29 ALA H 3.000 . 3.500 2.649 2.623 2.675 . 0 0 "[ . 1 . 2 ]" 1
252 3 29 ALA H 3 31 GLN H 4.000 . 6.000 3.924 3.895 3.962 . 0 0 "[ . 1 . 2 ]" 1
253 3 29 ALA HA 3 32 GLY H 4.000 . 6.000 3.423 3.341 3.486 . 0 0 "[ . 1 . 2 ]" 1
254 3 29 ALA H 3 33 ASP H 4.000 . 6.000 4.850 4.713 4.962 . 0 0 "[ . 1 . 2 ]" 1
255 3 29 ALA HA 3 34 PHE H 4.000 . 5.000 4.678 4.478 4.935 . 0 0 "[ . 1 . 2 ]" 1
256 3 30 LYS H 3 31 GLN H 3.000 . 3.500 2.607 2.595 2.625 . 0 0 "[ . 1 . 2 ]" 1
257 3 30 LYS HA 3 31 GLN H 4.000 . 6.000 3.481 3.474 3.488 . 0 0 "[ . 1 . 2 ]" 1
258 3 30 LYS H 3 32 GLY H 4.000 . 6.000 3.933 3.893 3.961 . 0 0 "[ . 1 . 2 ]" 1
259 3 30 LYS HA 3 33 ASP H 4.000 . 6.000 5.768 5.666 5.886 . 0 0 "[ . 1 . 2 ]" 1
260 3 31 GLN H 3 32 GLY H 2.500 . 2.900 2.465 2.422 2.503 . 0 0 "[ . 1 . 2 ]" 1
261 3 31 GLN H 3 33 ASP H 4.000 . 5.000 3.479 3.451 3.498 . 0 0 "[ . 1 . 2 ]" 1
262 3 32 GLY QA 3 33 ASP H 3.000 . 3.500 2.910 2.893 2.920 . 0 0 "[ . 1 . 2 ]" 1
263 3 32 GLY H 3 33 ASP H 2.500 . 2.900 2.388 2.355 2.428 . 0 0 "[ . 1 . 2 ]" 1
264 3 33 ASP HA 3 34 PHE H 2.500 . 2.900 2.372 2.357 2.388 . 0 0 "[ . 1 . 2 ]" 1
265 3 33 ASP HA 3 35 ALA H 4.000 . 5.000 3.424 3.396 3.444 . 0 0 "[ . 1 . 2 ]" 1
266 3 34 PHE H 3 35 ALA H 3.000 . 3.500 2.616 2.604 2.628 . 0 0 "[ . 1 . 2 ]" 1
267 3 34 PHE H 3 36 ALA H 4.000 . 6.000 4.400 4.372 4.442 . 0 0 "[ . 1 . 2 ]" 1
268 3 35 ALA H 3 36 ALA H 3.000 . 3.500 2.715 2.695 2.743 . 0 0 "[ . 1 . 2 ]" 1
269 3 35 ALA H 3 38 LYS H 4.000 . 5.000 4.790 4.743 4.833 . 0 0 "[ . 1 . 2 ]" 1
270 3 36 ALA H 3 37 ALA H 3.000 . 3.500 2.577 2.566 2.590 . 0 0 "[ . 1 . 2 ]" 1
271 3 37 ALA H 3 38 LYS H 3.000 . 3.500 2.732 2.710 2.759 . 0 0 "[ . 1 . 2 ]" 1
272 3 38 LYS H 3 39 ALA H 3.000 . 3.500 2.717 2.687 2.736 . 0 0 "[ . 1 . 2 ]" 1
273 3 38 LYS H 3 40 MET H 4.000 . 5.000 4.192 4.113 4.263 . 0 0 "[ . 1 . 2 ]" 1
274 3 39 ALA H 3 40 MET H 3.000 . 3.500 2.685 2.625 2.718 . 0 0 "[ . 1 . 2 ]" 1
275 3 39 ALA H 3 41 MET H 4.000 . 5.000 4.148 4.091 4.339 . 0 0 "[ . 1 . 2 ]" 1
276 3 40 MET H 3 41 MET H 3.000 . 3.500 2.641 2.624 2.693 . 0 0 "[ . 1 . 2 ]" 1
277 3 41 MET H 3 42 ASP H 3.000 . 3.500 2.663 2.616 2.710 . 0 0 "[ . 1 . 2 ]" 1
278 3 41 MET H 3 43 GLN H 4.000 . 5.000 4.223 4.158 4.323 . 0 0 "[ . 1 . 2 ]" 1
279 3 42 ASP H 3 43 GLN H 3.000 . 3.500 2.693 2.646 2.728 . 0 0 "[ . 1 . 2 ]" 1
280 3 43 GLN H 3 44 SER H 3.000 . 3.500 2.662 2.655 2.671 . 0 0 "[ . 1 . 2 ]" 1
281 3 43 GLN H 3 45 ARG H 4.000 . 5.000 4.264 4.239 4.285 . 0 0 "[ . 1 . 2 ]" 1
282 3 44 SER H 3 46 MET H 4.000 . 5.000 4.153 4.137 4.176 . 0 0 "[ . 1 . 2 ]" 1
283 3 45 ARG H 3 46 MET H 3.000 . 3.500 2.711 2.701 2.726 . 0 0 "[ . 1 . 2 ]" 1
284 3 45 ARG H 3 47 ALA H 4.000 . 5.000 4.190 4.161 4.230 . 0 0 "[ . 1 . 2 ]" 1
285 3 46 MET H 3 47 ALA H 3.000 . 3.500 2.661 2.642 2.684 . 0 0 "[ . 1 . 2 ]" 1
286 3 47 ALA H 3 48 LEU H 3.000 . 3.500 2.661 2.636 2.681 . 0 0 "[ . 1 . 2 ]" 1
287 3 47 ALA H 3 49 ASN H 4.000 . 5.000 4.068 4.028 4.089 . 0 0 "[ . 1 . 2 ]" 1
288 3 48 LEU H 3 49 ASN H 3.000 . 3.500 2.617 2.596 2.629 . 0 0 "[ . 1 . 2 ]" 1
289 3 50 GLU H 3 51 ALA H 3.000 . 3.500 2.596 2.589 2.607 . 0 0 "[ . 1 . 2 ]" 1
290 3 50 GLU H 3 52 HIS H 4.000 . 5.000 4.157 4.125 4.185 . 0 0 "[ . 1 . 2 ]" 1
291 3 51 ALA H 3 52 HIS H 3.000 . 3.500 2.644 2.628 2.658 . 0 0 "[ . 1 . 2 ]" 1
292 3 51 ALA H 3 53 LEU H 4.000 . 5.000 4.012 3.995 4.031 . 0 0 "[ . 1 . 2 ]" 1
293 3 52 HIS H 3 53 LEU H 3.000 . 3.500 2.669 2.631 2.694 . 0 0 "[ . 1 . 2 ]" 1
294 3 52 HIS H 3 54 VAL H 4.000 . 5.000 4.272 4.237 4.304 . 0 0 "[ . 1 . 2 ]" 1
295 3 52 HIS H 3 55 GLN H 4.000 . 6.000 4.725 4.673 4.796 . 0 0 "[ . 1 . 2 ]" 1
296 3 53 LEU H 3 54 VAL H 3.000 . 3.500 2.704 2.693 2.722 . 0 0 "[ . 1 . 2 ]" 1
297 3 54 VAL H 3 55 GLN H 3.000 . 3.500 2.621 2.601 2.646 . 0 0 "[ . 1 . 2 ]" 1
298 3 56 THR H 3 57 LYS H 3.000 . 3.500 2.767 2.723 2.796 . 0 0 "[ . 1 . 2 ]" 1
299 3 56 THR H 3 58 LEU H 4.000 . 5.000 4.142 4.072 4.193 . 0 0 "[ . 1 . 2 ]" 1
300 3 57 LYS H 3 58 LEU H 3.000 . 3.500 2.647 2.620 2.679 . 0 0 "[ . 1 . 2 ]" 1
301 3 57 LYS H 3 59 ILE H 4.000 . 5.000 4.091 3.977 4.637 . 0 0 "[ . 1 . 2 ]" 1
302 3 58 LEU H 3 59 ILE H 3.000 . 3.500 2.595 2.542 2.756 . 0 0 "[ . 1 . 2 ]" 1
303 3 59 ILE H 3 60 GLU H 3.000 . 3.500 2.423 2.225 2.726 . 0 0 "[ . 1 . 2 ]" 1
304 3 60 GLU HA 3 61 GLY H 3.000 . 3.500 3.397 3.327 3.502 0.002 17 0 "[ . 1 . 2 ]" 1
305 3 61 GLY QA 3 62 ASP H 2.500 . 2.900 2.482 2.166 2.908 0.008 18 0 "[ . 1 . 2 ]" 1
306 3 62 ASP HA 3 63 ALA H 3.000 . 3.500 2.682 2.149 3.553 0.053 15 0 "[ . 1 . 2 ]" 1
307 3 63 ALA HA 3 64 GLY H 3.000 . 3.500 2.235 2.166 2.660 . 0 0 "[ . 1 . 2 ]" 1
308 3 64 GLY QA 3 65 GLU H 2.500 . 2.900 2.405 2.118 2.920 0.020 13 0 "[ . 1 . 2 ]" 1
309 3 65 GLU HA 3 66 GLY H 3.000 . 3.500 2.156 2.144 2.181 . 0 0 "[ . 1 . 2 ]" 1
310 3 66 GLY QA 3 67 LYS H 3.000 . 3.500 2.859 2.744 2.925 . 0 0 "[ . 1 . 2 ]" 1
311 3 67 LYS HA 3 68 MET H 3.000 . 3.500 2.234 2.146 2.756 . 0 0 "[ . 1 . 2 ]" 1
312 3 68 MET HA 3 69 LYS H 3.000 . 3.500 2.739 2.191 3.519 0.019 20 0 "[ . 1 . 2 ]" 1
313 3 69 LYS HA 3 70 VAL H 3.000 . 3.500 3.435 3.273 3.550 0.050 1 0 "[ . 1 . 2 ]" 1
314 3 70 VAL HA 3 71 SER H 3.000 . 3.500 2.315 2.137 3.021 . 0 0 "[ . 1 . 2 ]" 1
315 3 72 LEU H 3 73 VAL H 3.000 . 3.500 2.739 2.709 2.794 . 0 0 "[ . 1 . 2 ]" 1
316 3 72 LEU H 3 74 LEU H 4.000 . 6.000 4.297 4.242 4.352 . 0 0 "[ . 1 . 2 ]" 1
317 3 73 VAL H 3 74 LEU H 3.000 . 3.500 2.727 2.699 2.746 . 0 0 "[ . 1 . 2 ]" 1
318 3 73 VAL H 3 75 VAL H 4.000 . 5.000 4.127 4.096 4.181 . 0 0 "[ . 1 . 2 ]" 1
319 3 74 LEU H 3 75 VAL H 3.000 . 3.500 2.628 2.611 2.647 . 0 0 "[ . 1 . 2 ]" 1
320 3 74 LEU H 3 76 GLU H 4.000 . 5.000 4.342 4.319 4.375 . 0 0 "[ . 1 . 2 ]" 1
321 3 74 LEU H 3 77 ALA H 4.000 . 6.000 4.897 4.866 4.937 . 0 0 "[ . 1 . 2 ]" 1
322 3 75 VAL H 3 78 GLN H 4.000 . 6.000 4.648 4.617 4.686 . 0 0 "[ . 1 . 2 ]" 1
323 3 76 GLU H 3 77 ALA H 3.000 . 3.500 2.780 2.751 2.808 . 0 0 "[ . 1 . 2 ]" 1
324 3 76 GLU H 3 78 GLN H 4.000 . 5.000 4.183 4.153 4.220 . 0 0 "[ . 1 . 2 ]" 1
325 3 77 ALA H 3 78 GLN H 3.000 . 3.500 2.660 2.642 2.692 . 0 0 "[ . 1 . 2 ]" 1
326 3 77 ALA H 3 79 LEU H 4.000 . 5.000 4.097 4.058 4.130 . 0 0 "[ . 1 . 2 ]" 1
327 3 77 ALA H 3 80 HIS H 4.000 . 6.000 4.966 4.920 5.009 . 0 0 "[ . 1 . 2 ]" 1
328 3 78 GLN H 3 79 LEU H 3.000 . 3.500 2.645 2.632 2.659 . 0 0 "[ . 1 . 2 ]" 1
329 3 78 GLN H 3 80 HIS H 4.000 . 5.000 4.322 4.282 4.372 . 0 0 "[ . 1 . 2 ]" 1
330 3 79 LEU H 3 80 HIS H 3.000 . 3.500 2.804 2.788 2.829 . 0 0 "[ . 1 . 2 ]" 1
331 3 79 LEU H 3 82 MET H 4.000 . 6.000 4.660 4.635 4.687 . 0 0 "[ . 1 . 2 ]" 1
332 3 80 HIS H 3 81 LEU H 3.000 . 3.500 2.661 2.647 2.675 . 0 0 "[ . 1 . 2 ]" 1
333 3 80 HIS H 3 82 MET H 4.000 . 5.000 4.180 4.145 4.226 . 0 0 "[ . 1 . 2 ]" 1
334 3 81 LEU H 3 82 MET H 3.000 . 3.500 2.747 2.732 2.760 . 0 0 "[ . 1 . 2 ]" 1
335 3 81 LEU H 3 83 THR H 4.000 . 5.000 4.192 4.171 4.224 . 0 0 "[ . 1 . 2 ]" 1
336 3 81 LEU H 3 84 SER H 4.000 . 6.000 4.705 4.652 4.732 . 0 0 "[ . 1 . 2 ]" 1
337 3 82 MET H 3 83 THR H 3.000 . 3.500 2.702 2.686 2.727 . 0 0 "[ . 1 . 2 ]" 1
338 3 82 MET H 3 84 SER H 4.000 . 5.000 4.199 4.156 4.230 . 0 0 "[ . 1 . 2 ]" 1
339 3 82 MET H 3 85 MET H 4.000 . 6.000 4.678 4.642 4.702 . 0 0 "[ . 1 . 2 ]" 1
340 3 83 THR H 3 84 SER H 3.000 . 3.500 2.676 2.660 2.688 . 0 0 "[ . 1 . 2 ]" 1
341 3 83 THR H 3 85 MET H 4.000 . 5.000 4.237 4.197 4.271 . 0 0 "[ . 1 . 2 ]" 1
342 3 84 SER H 3 85 MET H 3.000 . 3.500 2.752 2.737 2.771 . 0 0 "[ . 1 . 2 ]" 1
343 3 84 SER H 3 86 LEU H 4.000 . 5.000 4.262 4.243 4.283 . 0 0 "[ . 1 . 2 ]" 1
344 3 85 MET H 3 86 LEU H 3.000 . 3.500 2.814 2.800 2.831 . 0 0 "[ . 1 . 2 ]" 1
345 3 85 MET H 3 87 ALA H 4.000 . 5.000 4.201 4.164 4.229 . 0 0 "[ . 1 . 2 ]" 1
346 3 86 LEU H 3 87 ALA H 3.000 . 3.500 2.681 2.666 2.697 . 0 0 "[ . 1 . 2 ]" 1
347 3 86 LEU H 3 88 ARG H 4.000 . 5.000 4.212 4.172 4.258 . 0 0 "[ . 1 . 2 ]" 1
348 3 86 LEU H 3 89 GLU H 4.000 . 6.000 4.742 4.692 4.793 . 0 0 "[ . 1 . 2 ]" 1
349 3 87 ALA H 3 89 GLU H 4.000 . 5.000 4.202 4.172 4.250 . 0 0 "[ . 1 . 2 ]" 1
350 3 88 ARG H 3 89 GLU H 3.000 . 3.500 2.760 2.724 2.777 . 0 0 "[ . 1 . 2 ]" 1
351 3 88 ARG H 3 91 ILE H 4.000 . 5.000 4.631 4.560 4.660 . 0 0 "[ . 1 . 2 ]" 1
352 3 89 GLU H 3 91 ILE H 4.000 . 5.000 4.108 4.034 4.147 . 0 0 "[ . 1 . 2 ]" 1
353 3 90 LEU H 3 91 ILE H 3.000 . 3.500 2.609 2.590 2.623 . 0 0 "[ . 1 . 2 ]" 1
354 3 90 LEU H 3 92 THR H 4.000 . 5.000 4.083 4.060 4.110 . 0 0 "[ . 1 . 2 ]" 1
355 3 90 LEU H 3 93 GLU H 4.000 . 6.000 4.841 4.805 4.874 . 0 0 "[ . 1 . 2 ]" 1
356 3 91 ILE H 3 92 THR H 3.000 . 3.500 2.690 2.681 2.699 . 0 0 "[ . 1 . 2 ]" 1
357 3 91 ILE H 3 93 GLU H 4.000 . 5.000 4.217 4.190 4.234 . 0 0 "[ . 1 . 2 ]" 1
358 3 91 ILE H 3 94 LEU H 4.000 . 6.000 4.629 4.600 4.654 . 0 0 "[ . 1 . 2 ]" 1
359 3 92 THR H 3 93 GLU H 3.000 . 3.500 2.741 2.728 2.754 . 0 0 "[ . 1 . 2 ]" 1
360 3 93 GLU H 3 94 LEU H 3.000 . 3.500 2.637 2.621 2.657 . 0 0 "[ . 1 . 2 ]" 1
361 3 93 GLU H 3 95 ILE H 4.000 . 5.000 4.118 4.107 4.131 . 0 0 "[ . 1 . 2 ]" 1
362 3 93 GLU H 3 96 GLU H 4.000 . 6.000 4.666 4.631 4.703 . 0 0 "[ . 1 . 2 ]" 1
363 3 94 LEU H 3 95 ILE H 3.000 . 3.500 2.701 2.684 2.709 . 0 0 "[ . 1 . 2 ]" 1
364 3 94 LEU H 3 96 GLU H 4.000 . 5.000 4.104 4.088 4.115 . 0 0 "[ . 1 . 2 ]" 1
365 3 95 ILE H 3 96 GLU H 3.000 . 3.500 2.680 2.671 2.691 . 0 0 "[ . 1 . 2 ]" 1
366 3 95 ILE H 3 97 LEU H 4.000 . 5.000 4.050 4.021 4.084 . 0 0 "[ . 1 . 2 ]" 1
367 3 95 ILE H 3 98 HIS H 4.000 . 6.000 4.744 4.695 4.778 . 0 0 "[ . 1 . 2 ]" 1
368 3 96 GLU H 3 99 GLU H 4.000 . 6.000 4.810 4.736 4.843 . 0 0 "[ . 1 . 2 ]" 1
369 3 97 LEU H 3 98 HIS H 3.000 . 3.500 2.658 2.646 2.668 . 0 0 "[ . 1 . 2 ]" 1
370 3 97 LEU H 3 99 GLU H 4.000 . 5.000 4.082 4.056 4.113 . 0 0 "[ . 1 . 2 ]" 1
371 3 97 LEU H 3 100 LYS H 4.000 . 5.000 4.796 4.645 4.873 . 0 0 "[ . 1 . 2 ]" 1
372 3 98 HIS H 3 99 GLU H 3.000 . 3.500 2.666 2.647 2.689 . 0 0 "[ . 1 . 2 ]" 1
373 3 98 HIS H 3 101 LEU H 4.000 . 6.000 4.791 4.702 4.834 . 0 0 "[ . 1 . 2 ]" 1
374 3 99 GLU H 3 100 LYS H 3.000 . 3.500 2.661 2.606 2.719 . 0 0 "[ . 1 . 2 ]" 1
375 3 99 GLU H 3 101 LEU H 4.000 . 5.000 4.078 4.008 4.127 . 0 0 "[ . 1 . 2 ]" 1
376 3 100 LYS H 3 101 LEU H 3.000 . 3.500 2.614 2.587 2.653 . 0 0 "[ . 1 . 2 ]" 1
377 4 5 GLU H 4 6 GLU H 3.000 . 3.500 2.682 2.646 2.731 . 0 0 "[ . 1 . 2 ]" 1
378 4 5 GLU H 4 7 VAL H 4.000 . 5.000 3.914 3.888 3.961 . 0 0 "[ . 1 . 2 ]" 1
379 4 6 GLU H 4 8 VAL H 4.000 . 5.000 4.187 4.163 4.225 . 0 0 "[ . 1 . 2 ]" 1
380 4 6 GLU H 4 9 MET H 4.000 . 5.000 4.893 4.863 4.918 . 0 0 "[ . 1 . 2 ]" 1
381 4 7 VAL H 4 8 VAL H 3.000 . 3.500 2.655 2.639 2.667 . 0 0 "[ . 1 . 2 ]" 1
382 4 7 VAL H 4 9 MET H 4.000 . 5.000 4.187 4.140 4.224 . 0 0 "[ . 1 . 2 ]" 1
383 4 8 VAL H 4 9 MET H 3.000 . 3.500 2.701 2.678 2.717 . 0 0 "[ . 1 . 2 ]" 1
384 4 8 VAL H 4 10 GLY H 4.000 . 5.000 4.092 4.065 4.123 . 0 0 "[ . 1 . 2 ]" 1
385 4 9 MET H 4 10 GLY H 3.000 . 3.500 2.679 2.664 2.691 . 0 0 "[ . 1 . 2 ]" 1
386 4 9 MET H 4 11 LEU H 4.000 . 5.000 4.111 4.080 4.130 . 0 0 "[ . 1 . 2 ]" 1
387 4 10 GLY H 4 11 LEU H 3.000 . 3.500 2.625 2.612 2.638 . 0 0 "[ . 1 . 2 ]" 1
388 4 10 GLY H 4 12 ILE H 4.000 . 5.000 4.110 4.091 4.130 . 0 0 "[ . 1 . 2 ]" 1
389 4 10 GLY H 4 13 ILE H 4.000 . 6.000 4.691 4.672 4.704 . 0 0 "[ . 1 . 2 ]" 1
390 4 10 GLY H 4 14 ASN H 4.000 . 6.000 5.875 5.823 5.924 . 0 0 "[ . 1 . 2 ]" 1
391 4 11 LEU H 4 12 ILE H 3.000 . 3.500 2.663 2.654 2.670 . 0 0 "[ . 1 . 2 ]" 1
392 4 11 LEU H 4 13 ILE H 4.000 . 5.000 4.126 4.118 4.134 . 0 0 "[ . 1 . 2 ]" 1
393 4 12 ILE H 4 13 ILE H 3.000 . 3.500 2.646 2.637 2.651 . 0 0 "[ . 1 . 2 ]" 1
394 4 14 ASN H 4 15 SER H 3.000 . 3.500 2.724 2.713 2.739 . 0 0 "[ . 1 . 2 ]" 1
395 4 15 SER H 4 16 GLY H 3.000 . 3.500 2.726 2.711 2.735 . 0 0 "[ . 1 . 2 ]" 1
396 4 15 SER H 4 17 GLN H 4.000 . 5.000 4.132 4.116 4.148 . 0 0 "[ . 1 . 2 ]" 1
397 4 16 GLY H 4 19 ARG H 4.000 . 6.000 4.772 4.736 4.820 . 0 0 "[ . 1 . 2 ]" 1
398 4 17 GLN H 4 19 ARG H 4.000 . 5.000 4.240 4.207 4.270 . 0 0 "[ . 1 . 2 ]" 1
399 4 18 ALA H 4 19 ARG H 3.000 . 3.500 2.781 2.746 2.801 . 0 0 "[ . 1 . 2 ]" 1
400 4 19 ARG H 4 20 SER H 3.000 . 3.500 2.709 2.694 2.727 . 0 0 "[ . 1 . 2 ]" 1
401 4 19 ARG H 4 21 LEU H 4.000 . 5.000 4.142 4.100 4.164 . 0 0 "[ . 1 . 2 ]" 1
402 4 19 ARG H 4 22 ALA H 4.000 . 6.000 4.604 4.580 4.629 . 0 0 "[ . 1 . 2 ]" 1
403 4 20 SER H 4 22 ALA H 4.000 . 5.000 4.100 4.074 4.133 . 0 0 "[ . 1 . 2 ]" 1
404 4 20 SER H 4 23 TYR H 4.000 . 6.000 4.742 4.695 4.784 . 0 0 "[ . 1 . 2 ]" 1
405 4 21 LEU H 4 22 ALA H 3.000 . 3.500 2.640 2.626 2.656 . 0 0 "[ . 1 . 2 ]" 1
406 4 21 LEU H 4 23 TYR H 4.000 . 5.000 4.236 4.194 4.253 . 0 0 "[ . 1 . 2 ]" 1
407 4 21 LEU H 4 24 ALA H 4.000 . 5.000 4.603 4.571 4.654 . 0 0 "[ . 1 . 2 ]" 1
408 4 22 ALA H 4 23 TYR H 3.000 . 3.500 2.746 2.728 2.766 . 0 0 "[ . 1 . 2 ]" 1
409 4 22 ALA H 4 24 ALA H 4.000 . 5.000 4.020 3.986 4.054 . 0 0 "[ . 1 . 2 ]" 1
410 4 23 TYR H 4 24 ALA H 3.000 . 3.500 2.685 2.667 2.706 . 0 0 "[ . 1 . 2 ]" 1
411 4 23 TYR H 4 25 ALA H 4.000 . 5.000 4.115 4.085 4.152 . 0 0 "[ . 1 . 2 ]" 1
412 4 23 TYR H 4 26 LEU H 4.000 . 6.000 4.787 4.738 4.827 . 0 0 "[ . 1 . 2 ]" 1
413 4 24 ALA H 4 26 LEU H 4.000 . 5.000 4.138 4.105 4.185 . 0 0 "[ . 1 . 2 ]" 1
414 4 25 ALA H 4 26 LEU H 3.000 . 3.500 2.693 2.671 2.708 . 0 0 "[ . 1 . 2 ]" 1
415 4 25 ALA H 4 27 LYS H 4.000 . 6.000 4.162 4.134 4.196 . 0 0 "[ . 1 . 2 ]" 1
416 4 26 LEU H 4 27 LYS H 3.000 . 3.500 2.683 2.673 2.700 . 0 0 "[ . 1 . 2 ]" 1
417 4 26 LEU H 4 28 GLN H 4.000 . 6.000 4.095 4.077 4.124 . 0 0 "[ . 1 . 2 ]" 1
418 4 27 LYS H 4 29 ALA H 4.000 . 6.000 4.147 4.126 4.191 . 0 0 "[ . 1 . 2 ]" 1
419 4 28 GLN H 4 29 ALA H 3.000 . 3.500 2.650 2.627 2.678 . 0 0 "[ . 1 . 2 ]" 1
420 4 29 ALA H 4 31 GLN H 4.000 . 6.000 3.926 3.894 3.965 . 0 0 "[ . 1 . 2 ]" 1
421 4 29 ALA HA 4 32 GLY H 4.000 . 6.000 3.422 3.339 3.481 . 0 0 "[ . 1 . 2 ]" 1
422 4 29 ALA H 4 33 ASP H 4.000 . 6.000 4.848 4.716 4.962 . 0 0 "[ . 1 . 2 ]" 1
423 4 29 ALA HA 4 34 PHE H 4.000 . 5.000 4.676 4.478 4.930 . 0 0 "[ . 1 . 2 ]" 1
424 4 30 LYS H 4 31 GLN H 3.000 . 3.500 2.608 2.597 2.623 . 0 0 "[ . 1 . 2 ]" 1
425 4 30 LYS HA 4 31 GLN H 4.000 . 6.000 3.484 3.478 3.492 . 0 0 "[ . 1 . 2 ]" 1
426 4 30 LYS H 4 32 GLY H 4.000 . 6.000 3.930 3.893 3.955 . 0 0 "[ . 1 . 2 ]" 1
427 4 30 LYS HA 4 33 ASP H 4.000 . 6.000 5.764 5.663 5.886 . 0 0 "[ . 1 . 2 ]" 1
428 4 31 GLN H 4 32 GLY H 2.500 . 2.900 2.466 2.425 2.501 . 0 0 "[ . 1 . 2 ]" 1
429 4 31 GLN H 4 33 ASP H 4.000 . 5.000 3.479 3.447 3.500 . 0 0 "[ . 1 . 2 ]" 1
430 4 32 GLY QA 4 33 ASP H 3.000 . 3.500 2.910 2.893 2.918 . 0 0 "[ . 1 . 2 ]" 1
431 4 32 GLY H 4 33 ASP H 2.500 . 2.900 2.388 2.350 2.426 . 0 0 "[ . 1 . 2 ]" 1
432 4 33 ASP HA 4 34 PHE H 2.500 . 2.900 2.370 2.355 2.387 . 0 0 "[ . 1 . 2 ]" 1
433 4 33 ASP HA 4 35 ALA H 4.000 . 5.000 3.425 3.401 3.441 . 0 0 "[ . 1 . 2 ]" 1
434 4 34 PHE H 4 35 ALA H 3.000 . 3.500 2.615 2.606 2.631 . 0 0 "[ . 1 . 2 ]" 1
435 4 34 PHE H 4 36 ALA H 4.000 . 6.000 4.397 4.373 4.444 . 0 0 "[ . 1 . 2 ]" 1
436 4 35 ALA H 4 36 ALA H 3.000 . 3.500 2.715 2.699 2.743 . 0 0 "[ . 1 . 2 ]" 1
437 4 35 ALA H 4 38 LYS H 4.000 . 5.000 4.791 4.747 4.830 . 0 0 "[ . 1 . 2 ]" 1
438 4 36 ALA H 4 37 ALA H 3.000 . 3.500 2.582 2.568 2.594 . 0 0 "[ . 1 . 2 ]" 1
439 4 37 ALA H 4 38 LYS H 3.000 . 3.500 2.735 2.709 2.759 . 0 0 "[ . 1 . 2 ]" 1
440 4 38 LYS H 4 39 ALA H 3.000 . 3.500 2.719 2.685 2.740 . 0 0 "[ . 1 . 2 ]" 1
441 4 38 LYS H 4 40 MET H 4.000 . 5.000 4.192 4.108 4.255 . 0 0 "[ . 1 . 2 ]" 1
442 4 39 ALA H 4 40 MET H 3.000 . 3.500 2.686 2.623 2.719 . 0 0 "[ . 1 . 2 ]" 1
443 4 39 ALA H 4 41 MET H 4.000 . 5.000 4.151 4.091 4.342 . 0 0 "[ . 1 . 2 ]" 1
444 4 40 MET H 4 41 MET H 3.000 . 3.500 2.645 2.625 2.694 . 0 0 "[ . 1 . 2 ]" 1
445 4 41 MET H 4 42 ASP H 3.000 . 3.500 2.666 2.620 2.712 . 0 0 "[ . 1 . 2 ]" 1
446 4 41 MET H 4 43 GLN H 4.000 . 5.000 4.227 4.160 4.320 . 0 0 "[ . 1 . 2 ]" 1
447 4 42 ASP H 4 43 GLN H 3.000 . 3.500 2.696 2.649 2.731 . 0 0 "[ . 1 . 2 ]" 1
448 4 43 GLN H 4 44 SER H 3.000 . 3.500 2.661 2.650 2.671 . 0 0 "[ . 1 . 2 ]" 1
449 4 43 GLN H 4 45 ARG H 4.000 . 5.000 4.261 4.236 4.291 . 0 0 "[ . 1 . 2 ]" 1
450 4 44 SER H 4 46 MET H 4.000 . 5.000 4.151 4.140 4.179 . 0 0 "[ . 1 . 2 ]" 1
451 4 45 ARG H 4 46 MET H 3.000 . 3.500 2.712 2.704 2.727 . 0 0 "[ . 1 . 2 ]" 1
452 4 45 ARG H 4 47 ALA H 4.000 . 5.000 4.192 4.162 4.233 . 0 0 "[ . 1 . 2 ]" 1
453 4 46 MET H 4 47 ALA H 3.000 . 3.500 2.662 2.648 2.683 . 0 0 "[ . 1 . 2 ]" 1
454 4 47 ALA H 4 48 LEU H 3.000 . 3.500 2.665 2.635 2.688 . 0 0 "[ . 1 . 2 ]" 1
455 4 47 ALA H 4 49 ASN H 4.000 . 5.000 4.072 4.039 4.096 . 0 0 "[ . 1 . 2 ]" 1
456 4 48 LEU H 4 49 ASN H 3.000 . 3.500 2.619 2.604 2.633 . 0 0 "[ . 1 . 2 ]" 1
457 4 50 GLU H 4 51 ALA H 3.000 . 3.500 2.597 2.584 2.604 . 0 0 "[ . 1 . 2 ]" 1
458 4 50 GLU H 4 52 HIS H 4.000 . 5.000 4.156 4.116 4.189 . 0 0 "[ . 1 . 2 ]" 1
459 4 51 ALA H 4 52 HIS H 3.000 . 3.500 2.644 2.618 2.658 . 0 0 "[ . 1 . 2 ]" 1
460 4 51 ALA H 4 53 LEU H 4.000 . 5.000 4.013 3.997 4.034 . 0 0 "[ . 1 . 2 ]" 1
461 4 52 HIS H 4 53 LEU H 3.000 . 3.500 2.671 2.638 2.695 . 0 0 "[ . 1 . 2 ]" 1
462 4 52 HIS H 4 54 VAL H 4.000 . 5.000 4.269 4.237 4.299 . 0 0 "[ . 1 . 2 ]" 1
463 4 52 HIS H 4 55 GLN H 4.000 . 6.000 4.725 4.675 4.795 . 0 0 "[ . 1 . 2 ]" 1
464 4 53 LEU H 4 54 VAL H 3.000 . 3.500 2.701 2.690 2.716 . 0 0 "[ . 1 . 2 ]" 1
465 4 54 VAL H 4 55 GLN H 3.000 . 3.500 2.620 2.602 2.641 . 0 0 "[ . 1 . 2 ]" 1
466 4 56 THR H 4 57 LYS H 3.000 . 3.500 2.768 2.728 2.806 . 0 0 "[ . 1 . 2 ]" 1
467 4 56 THR H 4 58 LEU H 4.000 . 5.000 4.144 4.081 4.200 . 0 0 "[ . 1 . 2 ]" 1
468 4 57 LYS H 4 58 LEU H 3.000 . 3.500 2.648 2.621 2.687 . 0 0 "[ . 1 . 2 ]" 1
469 4 57 LYS H 4 59 ILE H 4.000 . 5.000 4.092 3.977 4.631 . 0 0 "[ . 1 . 2 ]" 1
470 4 58 LEU H 4 59 ILE H 3.000 . 3.500 2.596 2.547 2.762 . 0 0 "[ . 1 . 2 ]" 1
471 4 59 ILE H 4 60 GLU H 3.000 . 3.500 2.423 2.225 2.726 . 0 0 "[ . 1 . 2 ]" 1
472 4 60 GLU HA 4 61 GLY H 3.000 . 3.500 3.398 3.330 3.504 0.004 15 0 "[ . 1 . 2 ]" 1
473 4 61 GLY QA 4 62 ASP H 2.500 . 2.900 2.483 2.165 2.908 0.008 18 0 "[ . 1 . 2 ]" 1
474 4 62 ASP HA 4 63 ALA H 3.000 . 3.500 2.681 2.145 3.553 0.053 15 0 "[ . 1 . 2 ]" 1
475 4 63 ALA HA 4 64 GLY H 3.000 . 3.500 2.235 2.166 2.664 . 0 0 "[ . 1 . 2 ]" 1
476 4 64 GLY QA 4 65 GLU H 2.500 . 2.900 2.406 2.121 2.921 0.021 13 0 "[ . 1 . 2 ]" 1
477 4 65 GLU HA 4 66 GLY H 3.000 . 3.500 2.153 2.142 2.178 . 0 0 "[ . 1 . 2 ]" 1
478 4 66 GLY QA 4 67 LYS H 3.000 . 3.500 2.860 2.748 2.924 . 0 0 "[ . 1 . 2 ]" 1
479 4 67 LYS HA 4 68 MET H 3.000 . 3.500 2.232 2.144 2.758 . 0 0 "[ . 1 . 2 ]" 1
480 4 68 MET HA 4 69 LYS H 3.000 . 3.500 2.740 2.190 3.522 0.022 20 0 "[ . 1 . 2 ]" 1
481 4 69 LYS HA 4 70 VAL H 3.000 . 3.500 3.434 3.272 3.548 0.048 1 0 "[ . 1 . 2 ]" 1
482 4 70 VAL HA 4 71 SER H 3.000 . 3.500 2.313 2.136 3.012 . 0 0 "[ . 1 . 2 ]" 1
483 4 72 LEU H 4 73 VAL H 3.000 . 3.500 2.635 2.596 2.715 . 0 0 "[ . 1 . 2 ]" 1
484 4 72 LEU H 4 74 LEU H 4.000 . 6.000 4.240 4.211 4.273 . 0 0 "[ . 1 . 2 ]" 1
485 4 73 VAL H 4 74 LEU H 3.000 . 3.500 2.870 2.856 2.885 . 0 0 "[ . 1 . 2 ]" 1
486 4 73 VAL H 4 75 VAL H 4.000 . 5.000 4.105 4.082 4.161 . 0 0 "[ . 1 . 2 ]" 1
487 4 74 LEU H 4 75 VAL H 3.000 . 3.500 2.603 2.586 2.625 . 0 0 "[ . 1 . 2 ]" 1
488 4 74 LEU H 4 76 GLU H 4.000 . 5.000 4.322 4.294 4.364 . 0 0 "[ . 1 . 2 ]" 1
489 4 74 LEU H 4 77 ALA H 4.000 . 6.000 4.859 4.827 4.898 . 0 0 "[ . 1 . 2 ]" 1
490 4 75 VAL H 4 78 GLN H 4.000 . 6.000 4.620 4.591 4.658 . 0 0 "[ . 1 . 2 ]" 1
491 4 76 GLU H 4 77 ALA H 3.000 . 3.500 2.781 2.760 2.802 . 0 0 "[ . 1 . 2 ]" 1
492 4 76 GLU H 4 78 GLN H 4.000 . 5.000 4.181 4.151 4.223 . 0 0 "[ . 1 . 2 ]" 1
493 4 77 ALA H 4 78 GLN H 3.000 . 3.500 2.663 2.639 2.694 . 0 0 "[ . 1 . 2 ]" 1
494 4 77 ALA H 4 79 LEU H 4.000 . 5.000 4.097 4.052 4.129 . 0 0 "[ . 1 . 2 ]" 1
495 4 77 ALA H 4 80 HIS H 4.000 . 6.000 4.962 4.918 5.004 . 0 0 "[ . 1 . 2 ]" 1
496 4 78 GLN H 4 79 LEU H 3.000 . 3.500 2.646 2.627 2.660 . 0 0 "[ . 1 . 2 ]" 1
497 4 78 GLN H 4 80 HIS H 4.000 . 5.000 4.324 4.282 4.374 . 0 0 "[ . 1 . 2 ]" 1
498 4 79 LEU H 4 80 HIS H 3.000 . 3.500 2.804 2.785 2.828 . 0 0 "[ . 1 . 2 ]" 1
499 4 79 LEU H 4 82 MET H 4.000 . 6.000 4.660 4.634 4.686 . 0 0 "[ . 1 . 2 ]" 1
500 4 80 HIS H 4 81 LEU H 3.000 . 3.500 2.664 2.648 2.674 . 0 0 "[ . 1 . 2 ]" 1
501 4 80 HIS H 4 82 MET H 4.000 . 5.000 4.182 4.147 4.229 . 0 0 "[ . 1 . 2 ]" 1
502 4 81 LEU H 4 82 MET H 3.000 . 3.500 2.750 2.732 2.760 . 0 0 "[ . 1 . 2 ]" 1
503 4 81 LEU H 4 83 THR H 4.000 . 5.000 4.193 4.175 4.226 . 0 0 "[ . 1 . 2 ]" 1
504 4 81 LEU H 4 84 SER H 4.000 . 6.000 4.706 4.654 4.731 . 0 0 "[ . 1 . 2 ]" 1
505 4 82 MET H 4 83 THR H 3.000 . 3.500 2.701 2.690 2.728 . 0 0 "[ . 1 . 2 ]" 1
506 4 82 MET H 4 84 SER H 4.000 . 5.000 4.201 4.153 4.235 . 0 0 "[ . 1 . 2 ]" 1
507 4 82 MET H 4 85 MET H 4.000 . 6.000 4.678 4.640 4.705 . 0 0 "[ . 1 . 2 ]" 1
508 4 83 THR H 4 84 SER H 3.000 . 3.500 2.677 2.656 2.694 . 0 0 "[ . 1 . 2 ]" 1
509 4 83 THR H 4 85 MET H 4.000 . 5.000 4.234 4.199 4.270 . 0 0 "[ . 1 . 2 ]" 1
510 4 84 SER H 4 85 MET H 3.000 . 3.500 2.755 2.736 2.775 . 0 0 "[ . 1 . 2 ]" 1
511 4 84 SER H 4 86 LEU H 4.000 . 5.000 4.267 4.244 4.286 . 0 0 "[ . 1 . 2 ]" 1
512 4 85 MET H 4 86 LEU H 3.000 . 3.500 2.811 2.802 2.825 . 0 0 "[ . 1 . 2 ]" 1
513 4 85 MET H 4 87 ALA H 4.000 . 5.000 4.197 4.159 4.221 . 0 0 "[ . 1 . 2 ]" 1
514 4 86 LEU H 4 87 ALA H 3.000 . 3.500 2.681 2.667 2.695 . 0 0 "[ . 1 . 2 ]" 1
515 4 86 LEU H 4 88 ARG H 4.000 . 5.000 4.213 4.168 4.252 . 0 0 "[ . 1 . 2 ]" 1
516 4 86 LEU H 4 89 GLU H 4.000 . 6.000 4.744 4.691 4.794 . 0 0 "[ . 1 . 2 ]" 1
517 4 87 ALA H 4 89 GLU H 4.000 . 5.000 4.200 4.174 4.252 . 0 0 "[ . 1 . 2 ]" 1
518 4 88 ARG H 4 89 GLU H 3.000 . 3.500 2.760 2.721 2.787 . 0 0 "[ . 1 . 2 ]" 1
519 4 88 ARG H 4 91 ILE H 4.000 . 5.000 4.633 4.563 4.662 . 0 0 "[ . 1 . 2 ]" 1
520 4 89 GLU H 4 91 ILE H 4.000 . 5.000 4.106 4.040 4.149 . 0 0 "[ . 1 . 2 ]" 1
521 4 90 LEU H 4 91 ILE H 3.000 . 3.500 2.605 2.585 2.618 . 0 0 "[ . 1 . 2 ]" 1
522 4 90 LEU H 4 92 THR H 4.000 . 5.000 4.080 4.057 4.103 . 0 0 "[ . 1 . 2 ]" 1
523 4 90 LEU H 4 93 GLU H 4.000 . 6.000 4.840 4.807 4.874 . 0 0 "[ . 1 . 2 ]" 1
524 4 91 ILE H 4 92 THR H 3.000 . 3.500 2.688 2.676 2.700 . 0 0 "[ . 1 . 2 ]" 1
525 4 91 ILE H 4 93 GLU H 4.000 . 5.000 4.213 4.185 4.226 . 0 0 "[ . 1 . 2 ]" 1
526 4 91 ILE H 4 94 LEU H 4.000 . 6.000 4.629 4.603 4.657 . 0 0 "[ . 1 . 2 ]" 1
527 4 92 THR H 4 93 GLU H 3.000 . 3.500 2.739 2.716 2.751 . 0 0 "[ . 1 . 2 ]" 1
528 4 93 GLU H 4 94 LEU H 3.000 . 3.500 2.636 2.618 2.659 . 0 0 "[ . 1 . 2 ]" 1
529 4 93 GLU H 4 95 ILE H 4.000 . 5.000 4.116 4.102 4.129 . 0 0 "[ . 1 . 2 ]" 1
530 4 93 GLU H 4 96 GLU H 4.000 . 6.000 4.666 4.636 4.702 . 0 0 "[ . 1 . 2 ]" 1
531 4 94 LEU H 4 95 ILE H 3.000 . 3.500 2.701 2.690 2.714 . 0 0 "[ . 1 . 2 ]" 1
532 4 94 LEU H 4 96 GLU H 4.000 . 5.000 4.104 4.086 4.118 . 0 0 "[ . 1 . 2 ]" 1
533 4 95 ILE H 4 96 GLU H 3.000 . 3.500 2.682 2.673 2.691 . 0 0 "[ . 1 . 2 ]" 1
534 4 95 ILE H 4 97 LEU H 4.000 . 5.000 4.049 4.025 4.082 . 0 0 "[ . 1 . 2 ]" 1
535 4 95 ILE H 4 98 HIS H 4.000 . 6.000 4.745 4.695 4.783 . 0 0 "[ . 1 . 2 ]" 1
536 4 96 GLU H 4 99 GLU H 4.000 . 6.000 4.809 4.736 4.841 . 0 0 "[ . 1 . 2 ]" 1
537 4 97 LEU H 4 98 HIS H 3.000 . 3.500 2.656 2.647 2.664 . 0 0 "[ . 1 . 2 ]" 1
538 4 97 LEU H 4 99 GLU H 4.000 . 5.000 4.081 4.054 4.116 . 0 0 "[ . 1 . 2 ]" 1
539 4 97 LEU H 4 100 LYS H 4.000 . 5.000 4.795 4.645 4.871 . 0 0 "[ . 1 . 2 ]" 1
540 4 98 HIS H 4 99 GLU H 3.000 . 3.500 2.663 2.645 2.687 . 0 0 "[ . 1 . 2 ]" 1
541 4 98 HIS H 4 101 LEU H 4.000 . 6.000 4.790 4.699 4.830 . 0 0 "[ . 1 . 2 ]" 1
542 4 99 GLU H 4 100 LYS H 3.000 . 3.500 2.660 2.604 2.715 . 0 0 "[ . 1 . 2 ]" 1
543 4 99 GLU H 4 101 LEU H 4.000 . 5.000 4.078 4.006 4.128 . 0 0 "[ . 1 . 2 ]" 1
544 4 100 LYS H 4 101 LEU H 3.000 . 3.500 2.610 2.584 2.650 . 0 0 "[ . 1 . 2 ]" 1
545 2 7 VAL MG1 2 58 LEU MD1 3.000 . 4.300 1.990 1.921 2.145 . 0 0 "[ . 1 . 2 ]" 1
546 2 7 VAL MG1 2 58 LEU MD2 2.500 . 3.700 2.629 2.218 2.891 . 0 0 "[ . 1 . 2 ]" 1
547 2 7 VAL MG2 2 58 LEU MD1 4.000 . 6.000 3.777 3.481 4.049 . 0 0 "[ . 1 . 2 ]" 1
548 2 7 VAL MG2 2 58 LEU MD2 4.000 . 6.000 3.284 2.911 3.763 . 0 0 "[ . 1 . 2 ]" 1
549 3 7 VAL MG1 3 58 LEU MD1 3.000 . 4.300 1.992 1.927 2.142 . 0 0 "[ . 1 . 2 ]" 1
550 3 7 VAL MG1 3 58 LEU MD2 2.500 . 3.700 2.630 2.224 2.894 . 0 0 "[ . 1 . 2 ]" 1
551 3 7 VAL MG2 3 58 LEU MD1 4.000 . 6.000 3.778 3.475 4.047 . 0 0 "[ . 1 . 2 ]" 1
552 3 7 VAL MG2 3 58 LEU MD2 4.000 . 6.000 3.283 2.914 3.766 . 0 0 "[ . 1 . 2 ]" 1
553 4 7 VAL MG1 4 58 LEU MD1 3.000 . 4.300 1.991 1.930 2.139 . 0 0 "[ . 1 . 2 ]" 1
554 4 7 VAL MG1 4 58 LEU MD2 2.500 . 3.700 2.630 2.212 2.898 . 0 0 "[ . 1 . 2 ]" 1
555 4 7 VAL MG2 4 58 LEU MD1 4.000 . 6.000 3.779 3.478 4.050 . 0 0 "[ . 1 . 2 ]" 1
556 4 7 VAL MG2 4 58 LEU MD2 4.000 . 6.000 3.286 2.917 3.765 . 0 0 "[ . 1 . 2 ]" 1
557 2 8 VAL MG2 2 58 LEU MD1 3.000 . 4.300 3.237 2.915 3.349 . 0 0 "[ . 1 . 2 ]" 1
558 2 8 VAL MG2 2 58 LEU MD2 3.000 . 4.300 4.292 4.007 4.349 0.049 8 0 "[ . 1 . 2 ]" 1
559 2 8 VAL MG2 2 73 VAL MG2 3.000 . 4.300 3.288 2.976 3.458 . 0 0 "[ . 1 . 2 ]" 1
560 2 8 VAL MG2 2 77 ALA H 4.000 . 5.500 4.506 4.090 4.799 . 0 0 "[ . 1 . 2 ]" 1
561 2 8 VAL MG1 2 77 ALA H 3.000 . 4.000 4.014 3.894 4.086 0.086 21 0 "[ . 1 . 2 ]" 1
562 3 8 VAL MG2 3 58 LEU MD1 3.000 . 4.300 3.238 2.914 3.350 . 0 0 "[ . 1 . 2 ]" 1
563 3 8 VAL MG2 3 58 LEU MD2 3.000 . 4.300 4.292 3.995 4.351 0.051 8 0 "[ . 1 . 2 ]" 1
564 3 8 VAL MG2 3 73 VAL MG2 3.000 . 4.300 3.293 2.975 3.462 . 0 0 "[ . 1 . 2 ]" 1
565 3 8 VAL MG2 3 77 ALA H 4.000 . 5.500 4.509 4.102 4.807 . 0 0 "[ . 1 . 2 ]" 1
566 3 8 VAL MG1 3 77 ALA H 3.000 . 4.000 4.018 3.908 4.095 0.095 21 0 "[ . 1 . 2 ]" 1
567 4 8 VAL MG2 4 58 LEU MD1 3.000 . 4.300 3.237 2.914 3.344 . 0 0 "[ . 1 . 2 ]" 1
568 4 8 VAL MG2 4 58 LEU MD2 3.000 . 4.300 4.292 3.998 4.350 0.050 8 0 "[ . 1 . 2 ]" 1
569 4 8 VAL MG2 4 73 VAL MG2 3.000 . 4.300 3.365 3.064 3.526 . 0 0 "[ . 1 . 2 ]" 1
570 4 8 VAL MG2 4 77 ALA H 4.000 . 5.500 4.510 4.104 4.801 . 0 0 "[ . 1 . 2 ]" 1
571 4 8 VAL MG1 4 77 ALA H 3.000 . 4.000 4.017 3.901 4.090 0.090 21 0 "[ . 1 . 2 ]" 1
572 2 11 LEU MD1 2 54 VAL MG1 3.000 . 4.300 2.215 2.168 2.404 . 0 0 "[ . 1 . 2 ]" 1
573 2 11 LEU MD1 2 54 VAL MG2 4.000 . 6.000 4.350 4.143 4.558 . 0 0 "[ . 1 . 2 ]" 1
574 2 11 LEU MD1 2 55 GLN H 4.000 . 5.500 3.682 3.309 4.009 . 0 0 "[ . 1 . 2 ]" 1
575 2 11 LEU MD1 2 58 LEU MD1 3.000 . 4.300 2.058 1.927 2.254 . 0 0 "[ . 1 . 2 ]" 1
576 2 11 LEU MD1 2 58 LEU MD2 4.000 . 6.000 4.048 3.796 4.285 . 0 0 "[ . 1 . 2 ]" 1
577 3 11 LEU MD1 3 54 VAL MG1 3.000 . 4.300 2.215 2.168 2.387 . 0 0 "[ . 1 . 2 ]" 1
578 3 11 LEU MD1 3 54 VAL MG2 4.000 . 6.000 4.352 4.147 4.551 . 0 0 "[ . 1 . 2 ]" 1
579 3 11 LEU MD1 3 55 GLN H 4.000 . 5.500 3.685 3.315 4.010 . 0 0 "[ . 1 . 2 ]" 1
580 3 11 LEU MD1 3 58 LEU MD1 3.000 . 4.300 2.059 1.928 2.260 . 0 0 "[ . 1 . 2 ]" 1
581 3 11 LEU MD1 3 58 LEU MD2 4.000 . 6.000 4.048 3.802 4.285 . 0 0 "[ . 1 . 2 ]" 1
582 4 11 LEU MD1 4 54 VAL MG1 3.000 . 4.300 2.215 2.163 2.391 . 0 0 "[ . 1 . 2 ]" 1
583 4 11 LEU MD1 4 54 VAL MG2 4.000 . 6.000 4.353 4.149 4.556 . 0 0 "[ . 1 . 2 ]" 1
584 4 11 LEU MD1 4 55 GLN H 4.000 . 5.500 3.685 3.306 4.008 . 0 0 "[ . 1 . 2 ]" 1
585 4 11 LEU MD1 4 58 LEU MD1 3.000 . 4.300 2.059 1.921 2.259 . 0 0 "[ . 1 . 2 ]" 1
586 4 11 LEU MD1 4 58 LEU MD2 4.000 . 6.000 4.048 3.795 4.286 . 0 0 "[ . 1 . 2 ]" 1
587 2 21 LEU MD1 2 44 SER H 4.000 . 5.500 3.927 3.358 4.381 . 0 0 "[ . 1 . 2 ]" 1
588 2 21 LEU MD2 2 44 SER H 4.000 . 5.500 5.047 4.660 5.451 . 0 0 "[ . 1 . 2 ]" 1
589 3 21 LEU MD1 3 44 SER H 4.000 . 5.500 3.926 3.363 4.374 . 0 0 "[ . 1 . 2 ]" 1
590 3 21 LEU MD2 3 44 SER H 4.000 . 5.500 5.047 4.666 5.453 . 0 0 "[ . 1 . 2 ]" 1
591 4 21 LEU MD1 4 44 SER H 4.000 . 5.500 3.930 3.353 4.385 . 0 0 "[ . 1 . 2 ]" 1
592 4 21 LEU MD2 4 44 SER H 4.000 . 5.500 5.051 4.661 5.452 . 0 0 "[ . 1 . 2 ]" 1
593 2 26 LEU MD2 4 90 LEU MD2 4.000 . 6.000 4.994 4.392 5.361 . 0 0 "[ . 1 . 2 ]" 1
594 2 26 LEU MD2 4 90 LEU HA 4.000 . 6.500 6.202 5.456 6.592 0.092 6 0 "[ . 1 . 2 ]" 1
595 2 26 LEU MD1 2 91 ILE MD 4.000 . 6.000 4.948 4.575 5.328 . 0 0 "[ . 1 . 2 ]" 1
596 2 26 LEU MD2 2 91 ILE MD 3.000 . 4.300 4.033 3.772 4.304 0.004 19 0 "[ . 1 . 2 ]" 1
597 2 26 LEU H 2 95 ILE MD 3.000 . 4.000 3.448 3.088 3.873 . 0 0 "[ . 1 . 2 ]" 1
598 2 26 LEU MD1 2 95 ILE MD 4.000 . 6.000 3.389 3.265 3.660 . 0 0 "[ . 1 . 2 ]" 1
599 2 26 LEU MD2 2 95 ILE MD 4.000 . 7.000 4.800 4.577 4.999 . 0 0 "[ . 1 . 2 ]" 1
600 2 26 LEU MD1 2 95 ILE H 3.000 . 4.000 3.641 3.425 4.005 0.005 20 0 "[ . 1 . 2 ]" 1
601 2 90 LEU MD2 3 26 LEU MD2 4.000 . 6.000 4.846 4.245 5.171 . 0 0 "[ . 1 . 2 ]" 1
602 2 90 LEU HA 3 26 LEU MD2 4.000 . 6.500 5.680 5.057 6.107 . 0 0 "[ . 1 . 2 ]" 1
603 3 26 LEU MD1 3 91 ILE MD 4.000 . 6.000 4.945 4.572 5.329 . 0 0 "[ . 1 . 2 ]" 1
604 3 26 LEU MD2 3 91 ILE MD 3.000 . 4.300 4.032 3.772 4.304 0.004 19 0 "[ . 1 . 2 ]" 1
605 3 26 LEU H 3 95 ILE MD 3.000 . 4.000 3.450 3.093 3.879 . 0 0 "[ . 1 . 2 ]" 1
606 3 26 LEU MD1 3 95 ILE MD 4.000 . 6.000 3.392 3.273 3.661 . 0 0 "[ . 1 . 2 ]" 1
607 3 26 LEU MD2 3 95 ILE MD 4.000 . 7.000 4.803 4.570 5.008 . 0 0 "[ . 1 . 2 ]" 1
608 3 26 LEU MD1 3 95 ILE H 3.000 . 4.000 3.642 3.422 4.008 0.008 20 0 "[ . 1 . 2 ]" 1
609 3 90 LEU MD2 4 26 LEU MD2 4.000 . 6.000 4.842 4.239 5.166 . 0 0 "[ . 1 . 2 ]" 1
610 3 90 LEU HA 4 26 LEU MD2 4.000 . 6.500 5.678 5.052 6.101 . 0 0 "[ . 1 . 2 ]" 1
611 4 26 LEU MD1 4 91 ILE MD 4.000 . 6.000 4.946 4.579 5.338 . 0 0 "[ . 1 . 2 ]" 1
612 4 26 LEU MD2 4 91 ILE MD 3.000 . 4.300 4.033 3.770 4.307 0.007 19 0 "[ . 1 . 2 ]" 1
613 4 26 LEU H 4 95 ILE MD 3.000 . 4.000 3.454 3.094 3.879 . 0 0 "[ . 1 . 2 ]" 1
614 4 26 LEU MD1 4 95 ILE MD 4.000 . 6.000 3.390 3.270 3.664 . 0 0 "[ . 1 . 2 ]" 1
615 4 26 LEU MD2 4 95 ILE MD 4.000 . 7.000 4.800 4.569 4.999 . 0 0 "[ . 1 . 2 ]" 1
616 4 26 LEU MD1 4 95 ILE H 3.000 . 4.000 3.643 3.421 4.011 0.011 20 0 "[ . 1 . 2 ]" 1
617 2 48 LEU QD 2 85 MET H 3.000 . 4.500 3.440 3.116 3.813 . 0 0 "[ . 1 . 2 ]" 1
618 3 48 LEU QD 3 85 MET H 3.000 . 4.500 3.439 3.115 3.817 . 0 0 "[ . 1 . 2 ]" 1
619 4 48 LEU QD 4 85 MET H 3.000 . 4.500 3.442 3.115 3.814 . 0 0 "[ . 1 . 2 ]" 1
620 2 58 LEU MD1 2 73 VAL MG1 4.000 . 6.000 3.860 3.600 4.102 . 0 0 "[ . 1 . 2 ]" 1
621 2 58 LEU MD1 2 73 VAL MG2 4.000 . 7.000 5.950 5.598 6.220 . 0 0 "[ . 1 . 2 ]" 1
622 2 58 LEU MD2 2 73 VAL MG1 4.000 . 6.000 4.580 4.288 4.867 . 0 0 "[ . 1 . 2 ]" 1
623 2 58 LEU MD2 2 73 VAL MG2 4.000 . 7.000 6.206 5.841 6.458 . 0 0 "[ . 1 . 2 ]" 1
624 3 58 LEU MD1 3 73 VAL MG1 4.000 . 6.000 3.863 3.601 4.112 . 0 0 "[ . 1 . 2 ]" 1
625 3 58 LEU MD1 3 73 VAL MG2 4.000 . 7.000 5.952 5.599 6.222 . 0 0 "[ . 1 . 2 ]" 1
626 3 58 LEU MD2 3 73 VAL MG1 4.000 . 6.000 4.581 4.289 4.874 . 0 0 "[ . 1 . 2 ]" 1
627 3 58 LEU MD2 3 73 VAL MG2 4.000 . 7.000 6.208 5.842 6.464 . 0 0 "[ . 1 . 2 ]" 1
628 4 58 LEU MD1 4 73 VAL MG1 4.000 . 6.000 3.881 3.635 4.124 . 0 0 "[ . 1 . 2 ]" 1
629 4 58 LEU MD1 4 73 VAL MG2 4.000 . 7.000 6.012 5.676 6.282 . 0 0 "[ . 1 . 2 ]" 1
630 4 58 LEU MD2 4 73 VAL MG1 4.000 . 6.000 4.555 4.267 4.831 . 0 0 "[ . 1 . 2 ]" 1
631 4 58 LEU MD2 4 73 VAL MG2 4.000 . 7.000 6.278 5.919 6.531 . 0 0 "[ . 1 . 2 ]" 1
632 2 59 ILE MD 2 70 VAL QG 4.000 . 7.000 4.756 3.196 5.780 . 0 0 "[ . 1 . 2 ]" 1
633 3 59 ILE MD 3 70 VAL QG 4.000 . 7.000 4.749 3.203 5.791 . 0 0 "[ . 1 . 2 ]" 1
634 4 59 ILE MD 4 70 VAL QG 4.000 . 7.000 4.748 3.199 5.783 . 0 0 "[ . 1 . 2 ]" 1
635 2 70 VAL QG 3 72 LEU QD 4.000 . 6.000 2.431 1.862 2.992 . 0 0 "[ . 1 . 2 ]" 1
636 2 70 VAL QG 3 73 VAL MG1 4.000 . 7.000 4.239 3.667 5.525 . 0 0 "[ . 1 . 2 ]" 1
637 2 70 VAL QG 3 73 VAL MG2 4.000 . 7.000 3.369 2.422 4.930 . 0 0 "[ . 1 . 2 ]" 1
638 2 70 VAL QG 3 75 VAL MG2 4.000 . 7.000 5.085 4.470 6.125 . 0 0 "[ . 1 . 2 ]" 1
639 2 70 VAL QG 3 75 VAL HB 4.000 . 6.500 4.568 3.808 6.089 . 0 0 "[ . 1 . 2 ]" 1
640 2 70 VAL QG 3 76 GLU HG2 4.000 . 6.500 3.852 2.470 4.595 . 0 0 "[ . 1 . 2 ]" 1
641 2 70 VAL QG 3 76 GLU QB 4.000 . 6.500 2.443 1.935 3.504 . 0 0 "[ . 1 . 2 ]" 1
642 2 72 LEU QD 3 70 VAL QG 4.000 . 6.000 2.410 1.838 2.966 . 0 0 "[ . 1 . 2 ]" 1
643 2 73 VAL MG1 3 70 VAL QG 4.000 . 7.000 4.298 3.725 5.558 . 0 0 "[ . 1 . 2 ]" 1
644 2 73 VAL MG2 3 70 VAL QG 4.000 . 7.000 3.330 2.375 4.862 . 0 0 "[ . 1 . 2 ]" 1
645 2 75 VAL MG2 3 70 VAL QG 4.000 . 7.000 5.036 4.443 6.018 . 0 0 "[ . 1 . 2 ]" 1
646 2 75 VAL HB 3 70 VAL QG 4.000 . 6.500 4.554 3.802 6.035 . 0 0 "[ . 1 . 2 ]" 1
647 2 76 GLU HG3 3 70 VAL QG 4.000 . 6.500 3.854 2.474 4.586 . 0 0 "[ . 1 . 2 ]" 1
648 2 76 GLU QB 3 70 VAL QG 4.000 . 6.500 2.445 1.935 3.474 . 0 0 "[ . 1 . 2 ]" 1
649 2 72 LEU QD 4 70 VAL QG 4.000 . 6.000 2.500 1.972 3.137 . 0 0 "[ . 1 . 2 ]" 1
650 2 73 VAL MG1 4 70 VAL QG 4.000 . 7.000 5.026 4.265 6.408 . 0 0 "[ . 1 . 2 ]" 1
651 2 73 VAL MG2 4 70 VAL QG 4.000 . 7.000 4.113 3.155 5.698 . 0 0 "[ . 1 . 2 ]" 1
652 2 75 VAL MG2 4 70 VAL QG 4.000 . 7.000 5.233 4.579 6.129 . 0 0 "[ . 1 . 2 ]" 1
653 2 75 VAL HB 4 70 VAL QG 4.000 . 6.500 4.916 3.966 6.267 . 0 0 "[ . 1 . 2 ]" 1
654 2 76 GLU HG3 4 70 VAL QG 4.000 . 6.500 3.921 3.156 4.716 . 0 0 "[ . 1 . 2 ]" 1
655 2 76 GLU QB 4 70 VAL QG 4.000 . 6.500 2.932 2.204 4.008 . 0 0 "[ . 1 . 2 ]" 1
656 2 72 LEU QD 3 59 ILE MG 4.000 . 7.000 7.087 6.983 7.214 0.214 16 0 "[ . 1 . 2 ]" 1
657 2 72 LEU QD 3 75 VAL MG2 4.000 . 6.000 2.470 1.970 2.892 . 0 0 "[ . 1 . 2 ]" 1
658 2 59 ILE MG 3 72 LEU QD 4.000 . 7.000 6.938 6.561 7.100 0.100 11 0 "[ . 1 . 2 ]" 1
659 2 75 VAL MG2 3 72 LEU QD 4.000 . 6.000 2.297 1.867 2.631 . 0 0 "[ . 1 . 2 ]" 1
660 2 59 ILE MG 4 72 LEU QD 4.000 . 7.000 6.925 6.552 7.082 0.082 11 0 "[ . 1 . 2 ]" 1
661 2 75 VAL MG2 4 72 LEU QD 4.000 . 6.000 2.322 1.885 2.658 . 0 0 "[ . 1 . 2 ]" 1
662 2 75 VAL MG1 3 75 VAL HA 4.000 . 6.500 4.459 4.279 4.802 . 0 0 "[ . 1 . 2 ]" 1
663 2 75 VAL MG1 3 76 GLU HG2 4.000 . 6.500 6.073 4.677 6.625 0.125 17 0 "[ . 1 . 2 ]" 1
664 2 75 VAL MG1 3 76 GLU HA 4.000 . 6.500 3.965 3.265 4.460 . 0 0 "[ . 1 . 2 ]" 1
665 2 75 VAL MG1 3 79 LEU MD2 3.000 . 4.300 3.033 2.851 3.203 . 0 0 "[ . 1 . 2 ]" 1
666 2 75 VAL MG2 3 75 VAL HB 4.000 . 6.000 3.607 3.391 4.119 . 0 0 "[ . 1 . 2 ]" 1
667 2 75 VAL MG2 3 75 VAL MG2 4.000 . 6.000 3.976 3.716 4.511 . 0 0 "[ . 1 . 2 ]" 1
668 2 75 VAL MG2 3 76 GLU QB 4.000 . 5.500 3.242 2.505 3.755 . 0 0 "[ . 1 . 2 ]" 1
669 2 75 VAL MG2 3 76 GLU HG2 4.000 . 5.500 5.197 3.902 5.912 0.412 17 0 "[ . 1 . 2 ]" 1
670 2 75 VAL MG2 3 76 GLU HA 4.000 . 5.500 3.696 3.391 4.055 . 0 0 "[ . 1 . 2 ]" 1
671 2 75 VAL MG2 3 79 LEU MD2 4.000 . 7.000 4.159 3.992 4.279 . 0 0 "[ . 1 . 2 ]" 1
672 2 75 VAL HA 3 75 VAL MG1 4.000 . 6.500 4.338 4.189 4.745 . 0 0 "[ . 1 . 2 ]" 1
673 2 76 GLU HG3 3 75 VAL MG1 4.000 . 6.500 5.959 4.708 6.464 . 0 0 "[ . 1 . 2 ]" 1
674 2 76 GLU HA 3 75 VAL MG1 4.000 . 6.500 3.964 3.262 4.458 . 0 0 "[ . 1 . 2 ]" 1
675 2 79 LEU MD2 3 75 VAL MG1 3.000 . 4.300 3.032 2.850 3.193 . 0 0 "[ . 1 . 2 ]" 1
676 2 75 VAL HB 3 75 VAL MG2 4.000 . 6.000 3.617 3.396 4.128 . 0 0 "[ . 1 . 2 ]" 1
677 2 76 GLU QB 3 75 VAL MG2 4.000 . 5.500 3.239 2.500 3.751 . 0 0 "[ . 1 . 2 ]" 1
678 2 76 GLU HG3 3 75 VAL MG2 4.000 . 5.500 5.183 3.904 5.883 0.383 17 0 "[ . 1 . 2 ]" 1
679 2 76 GLU HA 3 75 VAL MG2 4.000 . 5.500 3.702 3.400 4.061 . 0 0 "[ . 1 . 2 ]" 1
680 2 79 LEU MD2 3 75 VAL MG2 4.000 . 7.000 4.167 4.009 4.280 . 0 0 "[ . 1 . 2 ]" 1
681 2 75 VAL HA 4 75 VAL MG1 4.000 . 6.500 4.383 4.240 4.788 . 0 0 "[ . 1 . 2 ]" 1
682 2 76 GLU HG3 4 75 VAL MG1 4.000 . 6.500 5.470 4.425 6.207 . 0 0 "[ . 1 . 2 ]" 1
683 2 76 GLU HA 4 75 VAL MG1 4.000 . 6.500 4.196 3.621 4.598 . 0 0 "[ . 1 . 2 ]" 1
684 2 79 LEU MD2 4 75 VAL MG1 3.000 . 4.300 3.131 2.872 3.422 . 0 0 "[ . 1 . 2 ]" 1
685 2 75 VAL HB 4 75 VAL MG2 4.000 . 6.000 3.928 3.646 4.313 . 0 0 "[ . 1 . 2 ]" 1
686 2 76 GLU QB 4 75 VAL MG2 4.000 . 5.500 3.707 3.209 4.150 . 0 0 "[ . 1 . 2 ]" 1
687 2 76 GLU HG3 4 75 VAL MG2 4.000 . 5.500 4.708 3.657 5.722 0.222 6 0 "[ . 1 . 2 ]" 1
688 2 76 GLU HA 4 75 VAL MG2 4.000 . 5.500 4.096 3.760 4.535 . 0 0 "[ . 1 . 2 ]" 1
689 2 79 LEU MD2 4 75 VAL MG2 4.000 . 7.000 4.198 4.030 4.447 . 0 0 "[ . 1 . 2 ]" 1
690 2 79 LEU MD1 3 79 LEU HA 2.500 . 3.200 2.783 2.569 3.088 . 0 0 "[ . 1 . 2 ]" 1
691 2 79 LEU MD1 3 79 LEU HG 4.000 . 6.500 3.915 3.846 4.009 . 0 0 "[ . 1 . 2 ]" 1
692 2 79 LEU MD1 3 79 LEU QB 4.000 . 6.500 3.346 3.227 3.549 . 0 0 "[ . 1 . 2 ]" 1
693 2 79 LEU MD1 3 79 LEU MD1 3.000 . 4.300 1.797 1.738 1.885 0.062 19 0 "[ . 1 . 2 ]" 1
694 2 79 LEU QD 3 55 GLN QG 4.000 . 6.500 6.621 6.114 6.773 0.273 2 0 "[ . 1 . 2 ]" 1
695 2 79 LEU MD2 3 79 LEU HA 3.000 . 3.800 2.817 2.431 3.024 . 0 0 "[ . 1 . 2 ]" 1
696 2 79 LEU MD2 3 79 LEU MD1 4.000 . 6.000 2.893 2.793 2.976 . 0 0 "[ . 1 . 2 ]" 1
697 2 79 LEU HA 3 79 LEU MD1 2.500 . 3.200 2.536 2.296 2.687 . 0 0 "[ . 1 . 2 ]" 1
698 2 79 LEU HG 3 79 LEU MD1 4.000 . 6.500 3.846 3.786 3.929 . 0 0 "[ . 1 . 2 ]" 1
699 2 79 LEU QB 3 79 LEU MD1 4.000 . 6.500 3.260 3.166 3.372 . 0 0 "[ . 1 . 2 ]" 1
700 2 55 GLN QG 3 79 LEU QD 4.000 . 6.500 6.370 6.023 6.598 0.098 17 0 "[ . 1 . 2 ]" 1
701 2 79 LEU HA 3 79 LEU MD2 3.000 . 3.800 2.400 2.219 2.694 . 0 0 "[ . 1 . 2 ]" 1
702 2 79 LEU MD1 3 79 LEU MD2 4.000 . 6.000 2.758 2.566 2.875 . 0 0 "[ . 1 . 2 ]" 1
703 2 79 LEU HA 4 79 LEU MD1 2.500 . 3.200 2.539 2.305 2.687 . 0 0 "[ . 1 . 2 ]" 1
704 2 79 LEU HG 4 79 LEU MD1 4.000 . 6.500 3.923 3.849 4.032 . 0 0 "[ . 1 . 2 ]" 1
705 2 79 LEU QB 4 79 LEU MD1 4.000 . 6.500 3.287 3.184 3.411 . 0 0 "[ . 1 . 2 ]" 1
706 2 55 GLN QG 4 79 LEU QD 4.000 . 6.500 6.369 6.020 6.601 0.101 17 0 "[ . 1 . 2 ]" 1
707 2 79 LEU HA 4 79 LEU MD2 3.000 . 3.800 2.396 2.213 2.689 . 0 0 "[ . 1 . 2 ]" 1
708 2 79 LEU MD1 4 79 LEU MD2 4.000 . 6.000 2.760 2.552 2.884 . 0 0 "[ . 1 . 2 ]" 1
709 2 52 HIS H 2 81 LEU MD1 4.000 . 6.500 4.519 4.211 4.730 . 0 0 "[ . 1 . 2 ]" 1
710 3 52 HIS H 3 81 LEU MD1 4.000 . 6.500 4.519 4.210 4.727 . 0 0 "[ . 1 . 2 ]" 1
711 4 52 HIS H 4 81 LEU MD1 4.000 . 6.500 4.521 4.205 4.717 . 0 0 "[ . 1 . 2 ]" 1
712 2 86 LEU MD1 3 23 TYR QE 4.000 . 6.500 4.038 3.444 4.646 . 0 0 "[ . 1 . 2 ]" 1
713 2 86 LEU MD1 3 84 SER HA 4.000 . 6.500 5.076 4.212 5.392 . 0 0 "[ . 1 . 2 ]" 1
714 2 86 LEU MD1 3 86 LEU MD2 3.000 . 5.000 4.056 3.880 4.270 . 0 0 "[ . 1 . 2 ]" 1
715 2 86 LEU MD1 3 86 LEU MD1 4.000 . 7.000 5.185 5.018 5.591 . 0 0 "[ . 1 . 2 ]" 1
716 2 86 LEU MD1 3 90 LEU MD1 4.000 . 6.000 3.454 3.170 3.918 . 0 0 "[ . 1 . 2 ]" 1
717 2 86 LEU MD1 3 87 ALA HA 3.000 . 3.800 3.000 2.605 3.200 . 0 0 "[ . 1 . 2 ]" 1
718 2 86 LEU MD2 3 83 THR MG 4.000 . 6.000 3.188 3.051 3.346 . 0 0 "[ . 1 . 2 ]" 1
719 2 86 LEU MD2 3 84 SER HA 4.000 . 5.500 5.000 4.449 5.277 . 0 0 "[ . 1 . 2 ]" 1
720 2 86 LEU MD2 3 86 LEU MD2 3.000 . 4.300 2.357 2.142 2.606 . 0 0 "[ . 1 . 2 ]" 1
721 2 86 LEU MD2 3 86 LEU MD1 4.000 . 6.000 4.021 3.877 4.196 . 0 0 "[ . 1 . 2 ]" 1
722 2 86 LEU MD2 3 87 ALA HA 3.000 . 3.800 3.270 2.899 3.655 . 0 0 "[ . 1 . 2 ]" 1
723 2 86 LEU MD2 3 90 LEU MD1 4.000 . 7.000 2.888 2.687 3.199 . 0 0 "[ . 1 . 2 ]" 1
724 2 23 TYR QE 3 86 LEU MD1 4.000 . 6.500 4.036 3.448 4.641 . 0 0 "[ . 1 . 2 ]" 1
725 2 84 SER HA 3 86 LEU MD1 4.000 . 6.500 5.076 4.204 5.390 . 0 0 "[ . 1 . 2 ]" 1
726 2 86 LEU MD2 3 86 LEU MD1 3.000 . 5.000 3.968 3.838 4.174 . 0 0 "[ . 1 . 2 ]" 1
727 2 90 LEU MD1 3 86 LEU MD1 4.000 . 6.000 3.450 3.181 3.921 . 0 0 "[ . 1 . 2 ]" 1
728 2 87 ALA HA 3 86 LEU MD1 3.000 . 3.800 3.003 2.605 3.196 . 0 0 "[ . 1 . 2 ]" 1
729 2 83 THR MG 3 86 LEU MD2 4.000 . 6.000 3.191 3.054 3.346 . 0 0 "[ . 1 . 2 ]" 1
730 2 84 SER HA 3 86 LEU MD2 4.000 . 5.500 5.001 4.448 5.288 . 0 0 "[ . 1 . 2 ]" 1
731 2 86 LEU MD1 3 86 LEU MD2 4.000 . 6.000 3.969 3.838 4.175 . 0 0 "[ . 1 . 2 ]" 1
732 2 87 ALA HA 3 86 LEU MD2 3.000 . 3.800 3.271 2.899 3.658 . 0 0 "[ . 1 . 2 ]" 1
733 2 90 LEU MD1 3 86 LEU MD2 4.000 . 7.000 2.885 2.702 3.202 . 0 0 "[ . 1 . 2 ]" 1
734 2 23 TYR QE 4 86 LEU MD1 4.000 . 6.500 4.316 3.613 4.801 . 0 0 "[ . 1 . 2 ]" 1
735 2 84 SER HA 4 86 LEU MD1 4.000 . 6.500 5.625 4.881 6.046 . 0 0 "[ . 1 . 2 ]" 1
736 2 86 LEU MD2 4 86 LEU MD1 3.000 . 5.000 4.023 3.876 4.197 . 0 0 "[ . 1 . 2 ]" 1
737 2 90 LEU MD1 4 86 LEU MD1 4.000 . 6.000 3.610 3.345 4.120 . 0 0 "[ . 1 . 2 ]" 1
738 2 87 ALA HA 4 86 LEU MD1 3.000 . 3.800 3.564 3.146 3.826 0.026 1 0 "[ . 1 . 2 ]" 1
739 2 83 THR MG 4 86 LEU MD2 4.000 . 6.000 3.250 3.023 3.478 . 0 0 "[ . 1 . 2 ]" 1
740 2 84 SER HA 4 86 LEU MD2 4.000 . 5.500 5.266 4.620 5.588 0.088 1 0 "[ . 1 . 2 ]" 1
741 2 86 LEU MD1 4 86 LEU MD2 4.000 . 6.000 4.057 3.876 4.271 . 0 0 "[ . 1 . 2 ]" 1
742 2 87 ALA HA 4 86 LEU MD2 3.000 . 3.800 3.490 3.121 3.863 0.063 1 0 "[ . 1 . 2 ]" 1
743 2 90 LEU MD1 4 86 LEU MD2 4.000 . 7.000 2.980 2.773 3.378 . 0 0 "[ . 1 . 2 ]" 1
744 2 90 LEU MD1 3 87 ALA HA 4.000 . 5.500 3.621 2.851 3.982 . 0 0 "[ . 1 . 2 ]" 1
745 2 90 LEU MD1 3 90 LEU MD1 2.500 . 3.700 1.747 1.725 1.772 0.075 17 0 "[ . 1 . 2 ]" 1
746 2 90 LEU MD1 3 90 LEU MD2 4.000 . 6.000 2.459 2.165 3.056 . 0 0 "[ . 1 . 2 ]" 1
747 2 90 LEU MD2 3 23 TYR QE 4.000 . 5.500 4.608 3.331 5.140 . 0 0 "[ . 1 . 2 ]" 1
748 2 90 LEU MD2 3 23 TYR QD 4.000 . 6.500 6.013 4.978 6.356 . 0 0 "[ . 1 . 2 ]" 1
749 2 90 LEU MD2 3 87 ALA HA 4.000 . 5.500 3.395 3.063 3.662 . 0 0 "[ . 1 . 2 ]" 1
750 2 90 LEU MD2 3 90 LEU MD1 4.000 . 6.000 2.315 2.010 2.995 . 0 0 "[ . 1 . 2 ]" 1
751 2 90 LEU MD2 3 90 LEU MD2 4.000 . 7.000 3.221 2.383 3.902 . 0 0 "[ . 1 . 2 ]" 1
752 2 90 LEU MD2 3 91 ILE MD 4.000 . 6.000 4.367 3.434 4.837 . 0 0 "[ . 1 . 2 ]" 1
753 2 90 LEU MD2 3 91 ILE HA 4.000 . 6.500 4.369 3.544 4.705 . 0 0 "[ . 1 . 2 ]" 1
754 2 90 LEU MD2 3 94 LEU HG 4.000 . 5.500 4.275 4.139 4.429 . 0 0 "[ . 1 . 2 ]" 1
755 2 90 LEU MD2 3 94 LEU MD2 3.000 . 4.300 3.841 3.699 3.988 . 0 0 "[ . 1 . 2 ]" 1
756 2 90 LEU HA 3 94 LEU MD2 4.000 . 5.500 4.753 4.610 4.874 . 0 0 "[ . 1 . 2 ]" 1
757 2 87 ALA HA 3 90 LEU MD1 4.000 . 5.500 3.615 2.843 3.974 . 0 0 "[ . 1 . 2 ]" 1
758 2 90 LEU MD2 3 90 LEU MD1 4.000 . 6.000 2.309 2.013 2.968 . 0 0 "[ . 1 . 2 ]" 1
759 2 23 TYR QE 3 90 LEU MD2 4.000 . 5.500 4.606 3.331 5.143 . 0 0 "[ . 1 . 2 ]" 1
760 2 23 TYR QD 3 90 LEU MD2 4.000 . 6.500 6.013 4.976 6.359 . 0 0 "[ . 1 . 2 ]" 1
761 2 87 ALA HA 3 90 LEU MD2 4.000 . 5.500 3.395 3.071 3.656 . 0 0 "[ . 1 . 2 ]" 1
762 2 90 LEU MD1 3 90 LEU MD2 4.000 . 6.000 2.318 2.019 2.975 . 0 0 "[ . 1 . 2 ]" 1
763 2 91 ILE MD 3 90 LEU MD2 4.000 . 6.000 4.365 3.429 4.830 . 0 0 "[ . 1 . 2 ]" 1
764 2 91 ILE HA 3 90 LEU MD2 4.000 . 6.500 4.368 3.539 4.703 . 0 0 "[ . 1 . 2 ]" 1
765 2 94 LEU HG 3 90 LEU MD2 4.000 . 5.500 4.276 4.152 4.427 . 0 0 "[ . 1 . 2 ]" 1
766 2 94 LEU MD2 3 90 LEU MD2 3.000 . 4.300 3.848 3.730 3.994 . 0 0 "[ . 1 . 2 ]" 1
767 2 94 LEU MD2 3 90 LEU HA 4.000 . 5.500 4.755 4.629 4.876 . 0 0 "[ . 1 . 2 ]" 1
768 2 87 ALA HA 4 90 LEU MD1 4.000 . 5.500 3.825 3.074 4.154 . 0 0 "[ . 1 . 2 ]" 1
769 2 90 LEU MD2 4 90 LEU MD1 4.000 . 6.000 2.323 2.016 3.003 . 0 0 "[ . 1 . 2 ]" 1
770 2 23 TYR QE 4 90 LEU MD2 4.000 . 5.500 4.719 3.324 5.244 . 0 0 "[ . 1 . 2 ]" 1
771 2 23 TYR QD 4 90 LEU MD2 4.000 . 6.500 6.169 5.049 6.567 0.067 1 0 "[ . 1 . 2 ]" 1
772 2 87 ALA HA 4 90 LEU MD2 4.000 . 5.500 3.710 3.306 4.049 . 0 0 "[ . 1 . 2 ]" 1
773 2 90 LEU MD1 4 90 LEU MD2 4.000 . 6.000 2.459 2.165 3.056 . 0 0 "[ . 1 . 2 ]" 1
774 2 91 ILE MD 4 90 LEU MD2 4.000 . 6.000 4.631 3.717 5.047 . 0 0 "[ . 1 . 2 ]" 1
775 2 91 ILE HA 4 90 LEU MD2 4.000 . 6.500 4.696 3.928 5.138 . 0 0 "[ . 1 . 2 ]" 1
776 2 94 LEU HG 4 90 LEU MD2 4.000 . 5.500 4.459 4.105 4.840 . 0 0 "[ . 1 . 2 ]" 1
777 2 94 LEU MD2 4 90 LEU MD2 3.000 . 4.300 3.882 3.631 4.106 . 0 0 "[ . 1 . 2 ]" 1
778 2 94 LEU MD2 4 90 LEU HA 4.000 . 5.500 4.920 4.637 5.197 . 0 0 "[ . 1 . 2 ]" 1
779 2 23 TYR H 2 91 ILE MD 3.000 . 4.000 3.166 2.922 3.604 . 0 0 "[ . 1 . 2 ]" 1
780 3 23 TYR H 3 91 ILE MD 3.000 . 4.000 3.168 2.926 3.602 . 0 0 "[ . 1 . 2 ]" 1
781 4 23 TYR H 4 91 ILE MD 3.000 . 4.000 3.166 2.919 3.600 . 0 0 "[ . 1 . 2 ]" 1
782 2 94 LEU MD1 3 97 LEU MD1 3.000 . 4.300 3.877 3.689 4.159 . 0 0 "[ . 1 . 2 ]" 1
783 2 94 LEU MD2 3 97 LEU MD1 4.000 . 6.000 2.107 1.836 2.408 . 0 0 "[ . 1 . 2 ]" 1
784 2 94 LEU MD2 3 94 LEU MD1 3.000 . 4.300 3.754 3.242 4.090 . 0 0 "[ . 1 . 2 ]" 1
785 2 97 LEU MD1 3 94 LEU MD1 3.000 . 4.300 3.764 3.665 3.847 . 0 0 "[ . 1 . 2 ]" 1
786 2 97 LEU MD1 3 94 LEU MD2 4.000 . 6.000 1.955 1.804 2.062 . 0 0 "[ . 1 . 2 ]" 1
787 2 94 LEU MD1 3 94 LEU MD2 3.000 . 4.300 3.692 3.201 3.994 . 0 0 "[ . 1 . 2 ]" 1
788 2 97 LEU MD1 4 94 LEU MD1 3.000 . 4.300 3.761 3.657 3.846 . 0 0 "[ . 1 . 2 ]" 1
789 2 97 LEU MD1 4 94 LEU MD2 4.000 . 6.000 1.955 1.801 2.063 . 0 0 "[ . 1 . 2 ]" 1
790 2 94 LEU MD1 4 94 LEU MD2 3.000 . 4.300 3.766 3.223 4.104 . 0 0 "[ . 1 . 2 ]" 1
791 2 97 LEU MD1 3 97 LEU MD1 3.000 . 4.300 2.293 2.153 2.441 . 0 0 "[ . 1 . 2 ]" 1
792 2 97 LEU MD1 3 97 LEU MD2 4.000 . 6.000 3.512 3.388 3.690 . 0 0 "[ . 1 . 2 ]" 1
793 2 97 LEU MD1 3 97 LEU HA 4.000 . 6.500 5.268 5.036 5.398 . 0 0 "[ . 1 . 2 ]" 1
794 2 97 LEU MD1 3 97 LEU HG 4.000 . 6.500 4.480 4.342 4.629 . 0 0 "[ . 1 . 2 ]" 1
795 2 97 LEU MD1 3 98 HIS HD2 4.000 . 6.500 5.157 3.819 6.003 . 0 0 "[ . 1 . 2 ]" 1
796 2 97 LEU MD2 3 97 LEU HA 4.000 . 5.500 5.198 5.019 5.406 . 0 0 "[ . 1 . 2 ]" 1
797 2 97 LEU MD2 3 97 LEU HG 4.000 . 5.500 5.294 5.087 5.494 . 0 0 "[ . 1 . 2 ]" 1
798 2 97 LEU MD2 3 97 LEU MD2 4.000 . 7.000 4.114 3.949 4.272 . 0 0 "[ . 1 . 2 ]" 1
799 2 97 LEU MD2 3 98 HIS HE1 4.000 . 5.500 3.280 2.914 4.312 . 0 0 "[ . 1 . 2 ]" 1
800 2 97 LEU MD2 3 98 HIS HD2 4.000 . 5.500 3.150 2.162 3.971 . 0 0 "[ . 1 . 2 ]" 1
801 2 97 LEU MD2 3 101 LEU HG 4.000 . 5.500 4.380 4.086 4.696 . 0 0 "[ . 1 . 2 ]" 1
802 2 97 LEU MD2 3 101 LEU MD1 3.000 . 4.300 2.350 2.119 2.565 . 0 0 "[ . 1 . 2 ]" 1
803 2 97 LEU MD2 3 101 LEU MD2 4.000 . 6.000 4.055 3.793 4.388 . 0 0 "[ . 1 . 2 ]" 1
804 2 97 LEU HA 3 101 LEU MD1 4.000 . 5.500 3.783 3.558 4.000 . 0 0 "[ . 1 . 2 ]" 1
805 2 97 LEU MD2 3 97 LEU MD1 4.000 . 6.000 3.393 3.189 3.630 . 0 0 "[ . 1 . 2 ]" 1
806 2 97 LEU HA 3 97 LEU MD1 4.000 . 6.500 5.229 5.025 5.372 . 0 0 "[ . 1 . 2 ]" 1
807 2 97 LEU HG 3 97 LEU MD1 4.000 . 6.500 4.419 4.242 4.610 . 0 0 "[ . 1 . 2 ]" 1
808 2 98 HIS HD2 3 97 LEU MD1 4.000 . 6.500 5.159 3.829 6.017 . 0 0 "[ . 1 . 2 ]" 1
809 2 97 LEU HA 3 97 LEU MD2 4.000 . 5.500 5.186 5.004 5.405 . 0 0 "[ . 1 . 2 ]" 1
810 2 97 LEU HG 3 97 LEU MD2 4.000 . 5.500 5.271 5.053 5.491 . 0 0 "[ . 1 . 2 ]" 1
811 2 98 HIS HE1 3 97 LEU MD2 4.000 . 5.500 3.279 2.919 4.301 . 0 0 "[ . 1 . 2 ]" 1
812 2 98 HIS HD2 3 97 LEU MD2 4.000 . 5.500 3.147 2.169 3.976 . 0 0 "[ . 1 . 2 ]" 1
813 2 101 LEU HG 3 97 LEU MD2 4.000 . 5.500 4.383 4.095 4.705 . 0 0 "[ . 1 . 2 ]" 1
814 2 101 LEU MD1 3 97 LEU MD2 3.000 . 4.300 2.351 2.120 2.574 . 0 0 "[ . 1 . 2 ]" 1
815 2 101 LEU MD2 3 97 LEU MD2 4.000 . 6.000 4.065 3.829 4.395 . 0 0 "[ . 1 . 2 ]" 1
816 2 101 LEU MD1 3 97 LEU HA 4.000 . 5.500 3.783 3.557 3.996 . 0 0 "[ . 1 . 2 ]" 1
817 2 97 LEU MD2 4 97 LEU MD1 4.000 . 6.000 3.416 3.199 3.659 . 0 0 "[ . 1 . 2 ]" 1
818 2 97 LEU HA 4 97 LEU MD1 4.000 . 6.500 5.361 5.130 5.589 . 0 0 "[ . 1 . 2 ]" 1
819 2 97 LEU HG 4 97 LEU MD1 4.000 . 6.500 4.529 4.386 4.723 . 0 0 "[ . 1 . 2 ]" 1
820 2 98 HIS HD2 4 97 LEU MD1 4.000 . 6.500 5.305 4.016 6.163 . 0 0 "[ . 1 . 2 ]" 1
821 2 97 LEU HA 4 97 LEU MD2 4.000 . 5.500 5.505 5.251 5.600 0.100 9 0 "[ . 1 . 2 ]" 1
822 2 97 LEU HG 4 97 LEU MD2 4.000 . 5.500 5.521 5.413 5.595 0.095 8 0 "[ . 1 . 2 ]" 1
823 2 98 HIS HE1 4 97 LEU MD2 4.000 . 5.500 3.550 2.945 4.846 . 0 0 "[ . 1 . 2 ]" 1
824 2 98 HIS HD2 4 97 LEU MD2 4.000 . 5.500 3.549 2.720 4.407 . 0 0 "[ . 1 . 2 ]" 1
825 2 101 LEU HG 4 97 LEU MD2 4.000 . 5.500 4.598 4.346 4.776 . 0 0 "[ . 1 . 2 ]" 1
826 2 101 LEU MD1 4 97 LEU MD2 3.000 . 4.300 2.512 2.236 2.746 . 0 0 "[ . 1 . 2 ]" 1
827 2 101 LEU MD2 4 97 LEU MD2 4.000 . 6.000 4.095 3.826 4.365 . 0 0 "[ . 1 . 2 ]" 1
828 2 101 LEU MD1 4 97 LEU HA 4.000 . 5.500 4.118 3.908 4.355 . 0 0 "[ . 1 . 2 ]" 1
829 2 101 LEU MD1 3 100 LYS HA 4.000 . 5.500 5.459 5.259 5.655 0.155 4 0 "[ . 1 . 2 ]" 1
830 2 101 LEU MD1 3 101 LEU HA 4.000 . 6.500 4.852 4.436 5.125 . 0 0 "[ . 1 . 2 ]" 1
831 2 101 LEU MD1 3 101 LEU MD1 4.000 . 6.000 3.501 2.642 4.062 . 0 0 "[ . 1 . 2 ]" 1
832 2 101 LEU MD1 3 101 LEU MD2 3.000 . 4.300 3.172 2.851 3.518 . 0 0 "[ . 1 . 2 ]" 1
833 2 101 LEU MD2 3 100 LYS HA 4.000 . 5.500 5.590 5.494 5.696 0.196 10 0 "[ . 1 . 2 ]" 1
834 2 101 LEU MD2 3 101 LEU HA 3.000 . 3.800 3.638 3.127 3.880 0.080 13 0 "[ . 1 . 2 ]" 1
835 2 101 LEU MD2 3 101 LEU MD1 3.000 . 4.300 3.145 2.865 3.345 . 0 0 "[ . 1 . 2 ]" 1
836 2 101 LEU MD2 3 101 LEU MD2 2.500 . 3.700 1.890 1.786 2.020 0.014 4 0 "[ . 1 . 2 ]" 1
837 2 100 LYS HA 3 101 LEU MD1 4.000 . 5.500 5.025 4.678 5.380 . 0 0 "[ . 1 . 2 ]" 1
838 2 101 LEU HA 3 101 LEU MD1 4.000 . 6.500 4.590 4.253 4.800 . 0 0 "[ . 1 . 2 ]" 1
839 2 101 LEU MD2 3 101 LEU MD1 3.000 . 4.300 3.108 2.830 3.337 . 0 0 "[ . 1 . 2 ]" 1
840 2 100 LYS HA 3 101 LEU MD2 4.000 . 5.500 5.365 5.132 5.523 0.023 19 0 "[ . 1 . 2 ]" 1
841 2 101 LEU HA 3 101 LEU MD2 3.000 . 3.800 3.447 2.862 3.806 0.006 17 0 "[ . 1 . 2 ]" 1
842 2 101 LEU MD1 3 101 LEU MD2 3.000 . 4.300 3.105 2.830 3.340 . 0 0 "[ . 1 . 2 ]" 1
843 2 100 LYS HA 4 101 LEU MD1 4.000 . 5.500 5.025 4.678 5.376 . 0 0 "[ . 1 . 2 ]" 1
844 2 101 LEU HA 4 101 LEU MD1 4.000 . 6.500 4.592 4.258 4.817 . 0 0 "[ . 1 . 2 ]" 1
845 2 101 LEU MD2 4 101 LEU MD1 3.000 . 4.300 3.141 2.855 3.346 . 0 0 "[ . 1 . 2 ]" 1
846 2 100 LYS HA 4 101 LEU MD2 4.000 . 5.500 5.365 5.128 5.528 0.028 17 0 "[ . 1 . 2 ]" 1
847 2 101 LEU HA 4 101 LEU MD2 3.000 . 3.800 3.454 2.860 3.813 0.013 17 0 "[ . 1 . 2 ]" 1
848 2 101 LEU MD1 4 101 LEU MD2 3.000 . 4.300 3.171 2.848 3.515 . 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 462
_Distance_constraint_stats_list.Viol_count 6
_Distance_constraint_stats_list.Viol_total 4.288
_Distance_constraint_stats_list.Viol_max 0.058
_Distance_constraint_stats_list.Viol_rms 0.0009
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0340
_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 3 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 4 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 5 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 6 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 7 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 8 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 9 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 10 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 11 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 12 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 13 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 14 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 15 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 16 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 17 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 18 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 19 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 20 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 21 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 22 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 23 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 24 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 25 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 26 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 27 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 28 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 29 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 30 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 31 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 33 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 34 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 35 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 36 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 37 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 38 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 39 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 40 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 41 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 42 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 43 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 44 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 45 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 46 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 47 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 48 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 49 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 50 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 51 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 52 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 53 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 54 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 55 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 56 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 57 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 58 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 59 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 60 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 71 SER 0.104 0.058 13 0 "[ . 1 . 2 ]"
2 72 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 73 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 74 LEU 0.104 0.058 13 0 "[ . 1 . 2 ]"
2 75 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 76 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 77 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 78 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 79 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 80 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 81 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 82 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 83 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 84 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 85 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 86 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 87 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 88 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 89 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 90 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 91 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 92 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 93 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 94 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 95 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 96 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 97 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 98 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 99 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 100 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 101 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 3 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 4 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 5 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 6 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 7 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 8 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 9 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 10 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 11 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 12 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 13 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 14 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 15 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 16 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 17 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 18 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 19 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 20 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 21 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 22 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 23 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 24 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 25 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 26 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 27 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 28 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 29 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 30 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 31 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 33 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 34 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 35 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 36 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 37 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 38 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 39 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 40 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 41 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 42 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 43 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 44 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 45 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 46 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 47 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 48 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 49 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 50 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 51 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 52 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 53 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 54 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 55 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 56 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 57 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 58 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 59 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 60 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 71 SER 0.026 0.013 4 0 "[ . 1 . 2 ]"
3 72 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 73 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 74 LEU 0.026 0.013 4 0 "[ . 1 . 2 ]"
3 75 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 76 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 77 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 78 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 79 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 80 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 81 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 82 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 83 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 84 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 85 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 86 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 87 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 88 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 89 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 90 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 91 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 92 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 93 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 94 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 95 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 96 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 97 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 98 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 99 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 100 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 101 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 3 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 4 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 5 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 6 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 7 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 8 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 9 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 10 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 11 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 12 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 13 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 14 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 15 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 16 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 17 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 18 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 19 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 20 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 21 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 22 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 23 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 24 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 25 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 26 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 27 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 28 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 29 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 30 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 31 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 33 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 34 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 35 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 36 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 37 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 38 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 39 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 40 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 41 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 42 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 43 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 44 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 45 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 46 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 47 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 48 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 49 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 50 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 51 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 52 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 53 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 54 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 55 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 56 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 57 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 58 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 59 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 60 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 71 SER 0.075 0.044 4 0 "[ . 1 . 2 ]"
4 72 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 73 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 74 LEU 0.075 0.044 4 0 "[ . 1 . 2 ]"
4 75 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 76 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 77 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 78 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 79 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 80 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 81 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 82 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 83 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 84 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 85 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 86 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 87 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 88 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 89 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 90 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 91 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 92 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 93 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 94 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 95 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 96 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 97 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 98 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 99 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 100 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 101 LEU 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 3 GLU O 2 7 VAL H 2.300 . 2.500 1.865 1.744 2.192 . 0 0 "[ . 1 . 2 ]" 2
2 2 3 GLU O 2 7 VAL N 3.300 2.300 3.500 2.808 2.694 3.106 . 0 0 "[ . 1 . 2 ]" 2
3 2 4 LEU O 2 8 VAL H 2.300 . 2.500 1.990 1.925 2.128 . 0 0 "[ . 1 . 2 ]" 2
4 2 4 LEU O 2 8 VAL N 3.300 2.300 3.500 2.904 2.837 3.045 . 0 0 "[ . 1 . 2 ]" 2
5 2 5 GLU O 2 9 MET H 2.300 . 2.500 2.258 2.189 2.299 . 0 0 "[ . 1 . 2 ]" 2
6 2 5 GLU O 2 9 MET N 3.300 2.300 3.500 3.203 3.144 3.242 . 0 0 "[ . 1 . 2 ]" 2
7 2 6 GLU O 2 10 GLY H 2.300 . 2.500 2.110 2.043 2.170 . 0 0 "[ . 1 . 2 ]" 2
8 2 6 GLU O 2 10 GLY N 3.300 2.300 3.500 3.024 2.964 3.080 . 0 0 "[ . 1 . 2 ]" 2
9 2 7 VAL O 2 11 LEU H 2.300 . 2.500 1.888 1.850 1.953 . 0 0 "[ . 1 . 2 ]" 2
10 2 7 VAL O 2 11 LEU N 3.300 2.300 3.500 2.809 2.774 2.874 . 0 0 "[ . 1 . 2 ]" 2
11 2 8 VAL O 2 12 ILE H 2.300 . 2.500 1.840 1.807 1.877 . 0 0 "[ . 1 . 2 ]" 2
12 2 8 VAL O 2 12 ILE N 3.300 2.300 3.500 2.780 2.751 2.816 . 0 0 "[ . 1 . 2 ]" 2
13 2 9 MET O 2 13 ILE H 2.300 . 2.500 1.956 1.922 1.985 . 0 0 "[ . 1 . 2 ]" 2
14 2 9 MET O 2 13 ILE N 3.300 2.300 3.500 2.896 2.865 2.920 . 0 0 "[ . 1 . 2 ]" 2
15 2 10 GLY O 2 14 ASN H 2.300 . 2.500 1.831 1.801 1.878 . 0 0 "[ . 1 . 2 ]" 2
16 2 10 GLY O 2 14 ASN N 3.300 2.300 3.500 2.766 2.735 2.813 . 0 0 "[ . 1 . 2 ]" 2
17 2 11 LEU O 2 15 SER H 2.300 . 2.500 1.838 1.783 1.865 . 0 0 "[ . 1 . 2 ]" 2
18 2 11 LEU O 2 15 SER N 3.300 2.300 3.500 2.791 2.734 2.819 . 0 0 "[ . 1 . 2 ]" 2
19 2 12 ILE O 2 16 GLY H 2.300 . 2.500 1.921 1.893 1.954 . 0 0 "[ . 1 . 2 ]" 2
20 2 12 ILE O 2 16 GLY N 3.300 2.300 3.500 2.861 2.833 2.891 . 0 0 "[ . 1 . 2 ]" 2
21 2 13 ILE O 2 17 GLN H 2.300 . 2.500 1.835 1.803 1.865 . 0 0 "[ . 1 . 2 ]" 2
22 2 13 ILE O 2 17 GLN N 3.300 2.300 3.500 2.762 2.733 2.790 . 0 0 "[ . 1 . 2 ]" 2
23 2 14 ASN O 2 18 ALA H 2.300 . 2.500 1.812 1.765 1.866 . 0 0 "[ . 1 . 2 ]" 2
24 2 14 ASN O 2 18 ALA N 3.300 2.300 3.500 2.753 2.717 2.795 . 0 0 "[ . 1 . 2 ]" 2
25 2 15 SER O 2 19 ARG H 2.300 . 2.500 1.975 1.921 2.041 . 0 0 "[ . 1 . 2 ]" 2
26 2 15 SER O 2 19 ARG N 3.300 2.300 3.500 2.938 2.886 3.002 . 0 0 "[ . 1 . 2 ]" 2
27 2 16 GLY O 2 20 SER H 2.300 . 2.500 1.857 1.822 1.904 . 0 0 "[ . 1 . 2 ]" 2
28 2 16 GLY O 2 20 SER N 3.300 2.300 3.500 2.811 2.769 2.861 . 0 0 "[ . 1 . 2 ]" 2
29 2 17 GLN O 2 21 LEU H 2.300 . 2.500 1.853 1.804 1.907 . 0 0 "[ . 1 . 2 ]" 2
30 2 17 GLN O 2 21 LEU N 3.300 2.300 3.500 2.785 2.741 2.828 . 0 0 "[ . 1 . 2 ]" 2
31 2 18 ALA O 2 22 ALA H 2.300 . 2.500 1.911 1.839 1.969 . 0 0 "[ . 1 . 2 ]" 2
32 2 18 ALA O 2 22 ALA N 3.300 2.300 3.500 2.826 2.761 2.881 . 0 0 "[ . 1 . 2 ]" 2
33 2 19 ARG O 2 23 TYR H 2.300 . 2.500 1.834 1.739 1.933 . 0 0 "[ . 1 . 2 ]" 2
34 2 19 ARG O 2 23 TYR N 3.300 2.300 3.500 2.798 2.711 2.887 . 0 0 "[ . 1 . 2 ]" 2
35 2 20 SER O 2 24 ALA H 2.300 . 2.500 1.910 1.802 2.010 . 0 0 "[ . 1 . 2 ]" 2
36 2 20 SER O 2 24 ALA N 3.300 2.300 3.500 2.827 2.740 2.922 . 0 0 "[ . 1 . 2 ]" 2
37 2 21 LEU O 2 25 ALA H 2.300 . 2.500 1.851 1.782 1.933 . 0 0 "[ . 1 . 2 ]" 2
38 2 21 LEU O 2 25 ALA N 3.300 2.300 3.500 2.758 2.695 2.826 . 0 0 "[ . 1 . 2 ]" 2
39 2 22 ALA O 2 26 LEU H 2.300 . 2.500 2.092 1.994 2.157 . 0 0 "[ . 1 . 2 ]" 2
40 2 22 ALA O 2 26 LEU N 3.300 2.300 3.500 3.012 2.927 3.073 . 0 0 "[ . 1 . 2 ]" 2
41 2 23 TYR O 2 27 LYS H 2.300 . 2.500 1.975 1.883 2.039 . 0 0 "[ . 1 . 2 ]" 2
42 2 23 TYR O 2 27 LYS N 3.300 2.300 3.500 2.925 2.839 2.984 . 0 0 "[ . 1 . 2 ]" 2
43 2 24 ALA O 2 28 GLN H 2.300 . 2.500 2.002 1.939 2.031 . 0 0 "[ . 1 . 2 ]" 2
44 2 24 ALA O 2 28 GLN N 3.300 2.300 3.500 2.920 2.864 2.945 . 0 0 "[ . 1 . 2 ]" 2
45 2 25 ALA O 2 29 ALA H 2.300 . 2.500 2.093 2.008 2.172 . 0 0 "[ . 1 . 2 ]" 2
46 2 25 ALA O 2 29 ALA N 3.300 2.300 3.500 2.997 2.925 3.068 . 0 0 "[ . 1 . 2 ]" 2
47 2 26 LEU O 2 30 LYS H 2.300 . 2.500 1.989 1.894 2.025 . 0 0 "[ . 1 . 2 ]" 2
48 2 26 LEU O 2 30 LYS N 3.300 2.300 3.500 2.915 2.824 2.953 . 0 0 "[ . 1 . 2 ]" 2
49 2 27 LYS O 2 31 GLN H 2.300 . 2.500 2.295 2.224 2.305 . 0 0 "[ . 1 . 2 ]" 2
50 2 27 LYS O 2 31 GLN N 3.300 2.300 3.500 3.070 3.027 3.087 . 0 0 "[ . 1 . 2 ]" 2
51 2 33 ASP O 2 37 ALA H 2.300 . 2.500 2.089 1.998 2.155 . 0 0 "[ . 1 . 2 ]" 2
52 2 33 ASP O 2 37 ALA N 3.300 2.300 3.500 2.975 2.880 3.041 . 0 0 "[ . 1 . 2 ]" 2
53 2 34 PHE O 2 38 LYS H 2.300 . 2.500 1.987 1.932 2.063 . 0 0 "[ . 1 . 2 ]" 2
54 2 34 PHE O 2 38 LYS N 3.300 2.300 3.500 2.942 2.892 3.014 . 0 0 "[ . 1 . 2 ]" 2
55 2 35 ALA O 2 39 ALA H 2.300 . 2.500 2.180 2.109 2.265 . 0 0 "[ . 1 . 2 ]" 2
56 2 35 ALA O 2 39 ALA N 3.300 2.300 3.500 3.126 3.067 3.206 . 0 0 "[ . 1 . 2 ]" 2
57 2 36 ALA O 2 40 MET H 2.300 . 2.500 2.009 1.938 2.140 . 0 0 "[ . 1 . 2 ]" 2
58 2 36 ALA O 2 40 MET N 3.300 2.300 3.500 2.925 2.864 3.043 . 0 0 "[ . 1 . 2 ]" 2
59 2 37 ALA O 2 41 MET H 2.300 . 2.500 1.954 1.875 2.091 . 0 0 "[ . 1 . 2 ]" 2
60 2 37 ALA O 2 41 MET N 3.300 2.300 3.500 2.886 2.794 3.033 . 0 0 "[ . 1 . 2 ]" 2
61 2 38 LYS O 2 42 ASP H 2.300 . 2.500 2.018 1.939 2.126 . 0 0 "[ . 1 . 2 ]" 2
62 2 38 LYS O 2 42 ASP N 3.300 2.300 3.500 2.946 2.875 3.044 . 0 0 "[ . 1 . 2 ]" 2
63 2 39 ALA O 2 43 GLN H 2.300 . 2.500 2.120 2.064 2.189 . 0 0 "[ . 1 . 2 ]" 2
64 2 39 ALA O 2 43 GLN N 3.300 2.300 3.500 3.066 3.011 3.130 . 0 0 "[ . 1 . 2 ]" 2
65 2 40 MET O 2 44 SER H 2.300 . 2.500 1.974 1.869 2.073 . 0 0 "[ . 1 . 2 ]" 2
66 2 40 MET O 2 44 SER N 3.300 2.300 3.500 2.898 2.801 2.982 . 0 0 "[ . 1 . 2 ]" 2
67 2 41 MET O 2 45 ARG H 2.300 . 2.500 1.988 1.896 2.101 . 0 0 "[ . 1 . 2 ]" 2
68 2 41 MET O 2 45 ARG N 3.300 2.300 3.500 2.942 2.853 3.050 . 0 0 "[ . 1 . 2 ]" 2
69 2 42 ASP O 2 46 MET H 2.300 . 2.500 2.086 2.028 2.142 . 0 0 "[ . 1 . 2 ]" 2
70 2 42 ASP O 2 46 MET N 3.300 2.300 3.500 3.021 2.966 3.076 . 0 0 "[ . 1 . 2 ]" 2
71 2 43 GLN O 2 47 ALA H 2.300 . 2.500 2.018 1.962 2.072 . 0 0 "[ . 1 . 2 ]" 2
72 2 43 GLN O 2 47 ALA N 3.300 2.300 3.500 2.948 2.887 3.008 . 0 0 "[ . 1 . 2 ]" 2
73 2 44 SER O 2 48 LEU H 2.300 . 2.500 1.960 1.895 2.036 . 0 0 "[ . 1 . 2 ]" 2
74 2 44 SER O 2 48 LEU N 3.300 2.300 3.500 2.890 2.828 2.961 . 0 0 "[ . 1 . 2 ]" 2
75 2 45 ARG O 2 49 ASN H 2.300 . 2.500 1.886 1.849 1.951 . 0 0 "[ . 1 . 2 ]" 2
76 2 45 ARG O 2 49 ASN N 3.300 2.300 3.500 2.805 2.768 2.863 . 0 0 "[ . 1 . 2 ]" 2
77 2 46 MET O 2 50 GLU H 2.300 . 2.500 2.147 2.107 2.192 . 0 0 "[ . 1 . 2 ]" 2
78 2 46 MET O 2 50 GLU N 3.300 2.300 3.500 3.070 3.037 3.117 . 0 0 "[ . 1 . 2 ]" 2
79 2 47 ALA O 2 51 ALA H 2.300 . 2.500 2.179 2.136 2.211 . 0 0 "[ . 1 . 2 ]" 2
80 2 47 ALA O 2 51 ALA N 3.300 2.300 3.500 3.085 3.045 3.117 . 0 0 "[ . 1 . 2 ]" 2
81 2 48 LEU O 2 52 HIS H 2.300 . 2.500 1.788 1.735 1.828 . 0 0 "[ . 1 . 2 ]" 2
82 2 48 LEU O 2 52 HIS N 3.300 2.300 3.500 2.742 2.691 2.784 . 0 0 "[ . 1 . 2 ]" 2
83 2 49 ASN O 2 53 LEU H 2.300 . 2.500 2.011 1.971 2.038 . 0 0 "[ . 1 . 2 ]" 2
84 2 49 ASN O 2 53 LEU N 3.300 2.300 3.500 2.910 2.870 2.940 . 0 0 "[ . 1 . 2 ]" 2
85 2 50 GLU O 2 54 VAL H 2.300 . 2.500 2.277 2.233 2.300 . 0 0 "[ . 1 . 2 ]" 2
86 2 50 GLU O 2 54 VAL N 3.300 2.300 3.500 3.198 3.152 3.224 . 0 0 "[ . 1 . 2 ]" 2
87 2 51 ALA O 2 55 GLN H 2.300 . 2.500 1.978 1.892 2.125 . 0 0 "[ . 1 . 2 ]" 2
88 2 51 ALA O 2 55 GLN N 3.300 2.300 3.500 2.928 2.841 3.070 . 0 0 "[ . 1 . 2 ]" 2
89 2 52 HIS O 2 56 THR H 2.300 . 2.500 1.850 1.776 1.927 . 0 0 "[ . 1 . 2 ]" 2
90 2 52 HIS O 2 56 THR N 3.300 2.300 3.500 2.790 2.724 2.859 . 0 0 "[ . 1 . 2 ]" 2
91 2 53 LEU O 2 57 LYS H 2.300 . 2.500 2.277 2.124 2.307 . 0 0 "[ . 1 . 2 ]" 2
92 2 53 LEU O 2 57 LYS N 3.300 2.300 3.500 3.190 3.036 3.227 . 0 0 "[ . 1 . 2 ]" 2
93 2 54 VAL O 2 58 LEU H 2.300 . 2.500 2.191 2.095 2.302 . 0 0 "[ . 1 . 2 ]" 2
94 2 54 VAL O 2 58 LEU N 3.300 2.300 3.500 3.089 3.008 3.144 . 0 0 "[ . 1 . 2 ]" 2
95 2 55 GLN O 2 59 ILE H 2.300 . 2.500 2.094 1.845 2.300 . 0 0 "[ . 1 . 2 ]" 2
96 2 55 GLN O 2 59 ILE N 3.300 2.300 3.500 2.941 2.773 3.080 . 0 0 "[ . 1 . 2 ]" 2
97 2 56 THR O 2 60 GLU H 2.300 . 2.500 1.906 1.783 2.216 . 0 0 "[ . 1 . 2 ]" 2
98 2 56 THR O 2 60 GLU N 3.300 2.300 3.500 2.786 2.669 3.033 . 0 0 "[ . 1 . 2 ]" 2
99 2 71 SER OG 2 74 LEU H 2.300 . 2.500 2.298 2.059 2.558 0.058 13 0 "[ . 1 . 2 ]" 2
100 2 71 SER OG 2 74 LEU N 3.300 2.300 3.500 3.241 3.022 3.492 . 0 0 "[ . 1 . 2 ]" 2
101 2 71 SER O 2 75 VAL H 2.300 . 2.500 1.865 1.760 1.970 . 0 0 "[ . 1 . 2 ]" 2
102 2 71 SER O 2 75 VAL N 3.300 2.300 3.500 2.799 2.690 2.902 . 0 0 "[ . 1 . 2 ]" 2
103 2 72 LEU O 2 76 GLU H 2.300 . 2.500 2.175 2.079 2.257 . 0 0 "[ . 1 . 2 ]" 2
104 2 72 LEU O 2 76 GLU N 3.300 2.300 3.500 3.132 3.038 3.212 . 0 0 "[ . 1 . 2 ]" 2
105 2 73 VAL O 2 77 ALA H 2.300 . 2.500 2.179 2.149 2.218 . 0 0 "[ . 1 . 2 ]" 2
106 2 73 VAL O 2 77 ALA N 3.300 2.300 3.500 3.132 3.100 3.166 . 0 0 "[ . 1 . 2 ]" 2
107 2 74 LEU O 2 78 GLN H 2.300 . 2.500 1.825 1.785 1.905 . 0 0 "[ . 1 . 2 ]" 2
108 2 74 LEU O 2 78 GLN N 3.300 2.300 3.500 2.769 2.740 2.843 . 0 0 "[ . 1 . 2 ]" 2
109 2 75 VAL O 2 79 LEU H 2.300 . 2.500 1.851 1.806 1.950 . 0 0 "[ . 1 . 2 ]" 2
110 2 75 VAL O 2 79 LEU N 3.300 2.300 3.500 2.780 2.747 2.867 . 0 0 "[ . 1 . 2 ]" 2
111 2 76 GLU O 2 80 HIS H 2.300 . 2.500 2.274 2.240 2.305 . 0 0 "[ . 1 . 2 ]" 2
112 2 76 GLU O 2 80 HIS N 3.300 2.300 3.500 3.218 3.184 3.249 . 0 0 "[ . 1 . 2 ]" 2
113 2 77 ALA O 2 81 LEU H 2.300 . 2.500 1.949 1.899 1.991 . 0 0 "[ . 1 . 2 ]" 2
114 2 77 ALA O 2 81 LEU N 3.300 2.300 3.500 2.918 2.867 2.957 . 0 0 "[ . 1 . 2 ]" 2
115 2 78 GLN O 2 82 MET H 2.300 . 2.500 1.713 1.674 1.735 . 0 0 "[ . 1 . 2 ]" 2
116 2 78 GLN O 2 82 MET N 3.300 2.300 3.500 2.657 2.618 2.685 . 0 0 "[ . 1 . 2 ]" 2
117 2 79 LEU O 2 83 THR H 2.300 . 2.500 2.067 2.028 2.106 . 0 0 "[ . 1 . 2 ]" 2
118 2 79 LEU O 2 83 THR N 3.300 2.300 3.500 2.985 2.946 3.024 . 0 0 "[ . 1 . 2 ]" 2
119 2 80 HIS O 2 84 SER H 2.300 . 2.500 1.876 1.832 1.969 . 0 0 "[ . 1 . 2 ]" 2
120 2 80 HIS O 2 84 SER N 3.300 2.300 3.500 2.827 2.784 2.906 . 0 0 "[ . 1 . 2 ]" 2
121 2 81 LEU O 2 85 MET H 2.300 . 2.500 1.781 1.762 1.806 . 0 0 "[ . 1 . 2 ]" 2
122 2 81 LEU O 2 85 MET N 3.300 2.300 3.500 2.747 2.723 2.777 . 0 0 "[ . 1 . 2 ]" 2
123 2 82 MET O 2 86 LEU H 2.300 . 2.500 1.936 1.902 1.959 . 0 0 "[ . 1 . 2 ]" 2
124 2 82 MET O 2 86 LEU N 3.300 2.300 3.500 2.892 2.859 2.916 . 0 0 "[ . 1 . 2 ]" 2
125 2 83 THR O 2 87 ALA H 2.300 . 2.500 1.893 1.848 1.938 . 0 0 "[ . 1 . 2 ]" 2
126 2 83 THR O 2 87 ALA N 3.300 2.300 3.500 2.825 2.777 2.870 . 0 0 "[ . 1 . 2 ]" 2
127 2 84 SER O 2 88 ARG H 2.300 . 2.500 1.802 1.755 1.857 . 0 0 "[ . 1 . 2 ]" 2
128 2 84 SER O 2 88 ARG N 3.300 2.300 3.500 2.760 2.717 2.811 . 0 0 "[ . 1 . 2 ]" 2
129 2 85 MET O 2 89 GLU H 2.300 . 2.500 1.964 1.869 2.061 . 0 0 "[ . 1 . 2 ]" 2
130 2 85 MET O 2 89 GLU N 3.300 2.300 3.500 2.912 2.822 2.998 . 0 0 "[ . 1 . 2 ]" 2
131 2 86 LEU O 2 90 LEU H 2.300 . 2.500 1.905 1.852 1.988 . 0 0 "[ . 1 . 2 ]" 2
132 2 86 LEU O 2 90 LEU N 3.300 2.300 3.500 2.854 2.824 2.937 . 0 0 "[ . 1 . 2 ]" 2
133 2 87 ALA O 2 91 ILE H 2.300 . 2.500 1.797 1.744 1.841 . 0 0 "[ . 1 . 2 ]" 2
134 2 87 ALA O 2 91 ILE N 3.300 2.300 3.500 2.733 2.670 2.782 . 0 0 "[ . 1 . 2 ]" 2
135 2 88 ARG O 2 92 THR H 2.300 . 2.500 1.920 1.852 2.005 . 0 0 "[ . 1 . 2 ]" 2
136 2 88 ARG O 2 92 THR N 3.300 2.300 3.500 2.839 2.777 2.920 . 0 0 "[ . 1 . 2 ]" 2
137 2 89 GLU O 2 93 GLU H 2.300 . 2.500 2.200 2.158 2.255 . 0 0 "[ . 1 . 2 ]" 2
138 2 89 GLU O 2 93 GLU N 3.300 2.300 3.500 3.136 3.097 3.193 . 0 0 "[ . 1 . 2 ]" 2
139 2 90 LEU O 2 94 LEU H 2.300 . 2.500 1.882 1.854 1.915 . 0 0 "[ . 1 . 2 ]" 2
140 2 90 LEU O 2 94 LEU N 3.300 2.300 3.500 2.827 2.789 2.858 . 0 0 "[ . 1 . 2 ]" 2
141 2 91 ILE O 2 95 ILE H 2.300 . 2.500 1.802 1.765 1.864 . 0 0 "[ . 1 . 2 ]" 2
142 2 91 ILE O 2 95 ILE N 3.300 2.300 3.500 2.744 2.713 2.797 . 0 0 "[ . 1 . 2 ]" 2
143 2 92 THR O 2 96 GLU H 2.300 . 2.500 1.992 1.938 2.050 . 0 0 "[ . 1 . 2 ]" 2
144 2 92 THR O 2 96 GLU N 3.300 2.300 3.500 2.913 2.862 2.966 . 0 0 "[ . 1 . 2 ]" 2
145 2 93 GLU O 2 97 LEU H 2.300 . 2.500 1.935 1.876 2.006 . 0 0 "[ . 1 . 2 ]" 2
146 2 93 GLU O 2 97 LEU N 3.300 2.300 3.500 2.837 2.778 2.897 . 0 0 "[ . 1 . 2 ]" 2
147 2 94 LEU O 2 98 HIS H 2.300 . 2.500 2.061 1.972 2.122 . 0 0 "[ . 1 . 2 ]" 2
148 2 94 LEU O 2 98 HIS N 3.300 2.300 3.500 2.970 2.895 3.030 . 0 0 "[ . 1 . 2 ]" 2
149 2 95 ILE O 2 99 GLU H 2.300 . 2.500 2.169 2.015 2.260 . 0 0 "[ . 1 . 2 ]" 2
150 2 95 ILE O 2 99 GLU N 3.300 2.300 3.500 3.072 2.937 3.142 . 0 0 "[ . 1 . 2 ]" 2
151 2 96 GLU O 2 100 LYS H 2.300 . 2.500 2.205 1.986 2.294 . 0 0 "[ . 1 . 2 ]" 2
152 2 96 GLU O 2 100 LYS N 3.300 2.300 3.500 3.091 2.875 3.187 . 0 0 "[ . 1 . 2 ]" 2
153 2 97 LEU O 2 101 LEU H 2.300 . 2.500 2.151 1.993 2.297 . 0 0 "[ . 1 . 2 ]" 2
154 2 97 LEU O 2 101 LEU N 3.300 2.300 3.500 3.029 2.882 3.126 . 0 0 "[ . 1 . 2 ]" 2
155 3 3 GLU O 3 7 VAL H 2.300 . 2.500 1.867 1.748 2.196 . 0 0 "[ . 1 . 2 ]" 2
156 3 3 GLU O 3 7 VAL N 3.300 2.300 3.500 2.812 2.697 3.111 . 0 0 "[ . 1 . 2 ]" 2
157 3 4 LEU O 3 8 VAL H 2.300 . 2.500 1.994 1.935 2.132 . 0 0 "[ . 1 . 2 ]" 2
158 3 4 LEU O 3 8 VAL N 3.300 2.300 3.500 2.908 2.845 3.048 . 0 0 "[ . 1 . 2 ]" 2
159 3 5 GLU O 3 9 MET H 2.300 . 2.500 2.258 2.194 2.299 . 0 0 "[ . 1 . 2 ]" 2
160 3 5 GLU O 3 9 MET N 3.300 2.300 3.500 3.206 3.152 3.243 . 0 0 "[ . 1 . 2 ]" 2
161 3 6 GLU O 3 10 GLY H 2.300 . 2.500 2.108 2.042 2.164 . 0 0 "[ . 1 . 2 ]" 2
162 3 6 GLU O 3 10 GLY N 3.300 2.300 3.500 3.024 2.963 3.072 . 0 0 "[ . 1 . 2 ]" 2
163 3 7 VAL O 3 11 LEU H 2.300 . 2.500 1.888 1.848 1.953 . 0 0 "[ . 1 . 2 ]" 2
164 3 7 VAL O 3 11 LEU N 3.300 2.300 3.500 2.810 2.774 2.872 . 0 0 "[ . 1 . 2 ]" 2
165 3 8 VAL O 3 12 ILE H 2.300 . 2.500 1.842 1.809 1.880 . 0 0 "[ . 1 . 2 ]" 2
166 3 8 VAL O 3 12 ILE N 3.300 2.300 3.500 2.782 2.752 2.817 . 0 0 "[ . 1 . 2 ]" 2
167 3 9 MET O 3 13 ILE H 2.300 . 2.500 1.956 1.921 1.992 . 0 0 "[ . 1 . 2 ]" 2
168 3 9 MET O 3 13 ILE N 3.300 2.300 3.500 2.896 2.865 2.925 . 0 0 "[ . 1 . 2 ]" 2
169 3 10 GLY O 3 14 ASN H 2.300 . 2.500 1.831 1.799 1.875 . 0 0 "[ . 1 . 2 ]" 2
170 3 10 GLY O 3 14 ASN N 3.300 2.300 3.500 2.766 2.733 2.809 . 0 0 "[ . 1 . 2 ]" 2
171 3 11 LEU O 3 15 SER H 2.300 . 2.500 1.838 1.782 1.864 . 0 0 "[ . 1 . 2 ]" 2
172 3 11 LEU O 3 15 SER N 3.300 2.300 3.500 2.790 2.732 2.816 . 0 0 "[ . 1 . 2 ]" 2
173 3 12 ILE O 3 16 GLY H 2.300 . 2.500 1.919 1.896 1.948 . 0 0 "[ . 1 . 2 ]" 2
174 3 12 ILE O 3 16 GLY N 3.300 2.300 3.500 2.859 2.837 2.889 . 0 0 "[ . 1 . 2 ]" 2
175 3 13 ILE O 3 17 GLN H 2.300 . 2.500 1.833 1.798 1.865 . 0 0 "[ . 1 . 2 ]" 2
176 3 13 ILE O 3 17 GLN N 3.300 2.300 3.500 2.760 2.730 2.790 . 0 0 "[ . 1 . 2 ]" 2
177 3 14 ASN O 3 18 ALA H 2.300 . 2.500 1.811 1.761 1.869 . 0 0 "[ . 1 . 2 ]" 2
178 3 14 ASN O 3 18 ALA N 3.300 2.300 3.500 2.752 2.715 2.799 . 0 0 "[ . 1 . 2 ]" 2
179 3 15 SER O 3 19 ARG H 2.300 . 2.500 1.975 1.922 2.043 . 0 0 "[ . 1 . 2 ]" 2
180 3 15 SER O 3 19 ARG N 3.300 2.300 3.500 2.938 2.885 3.003 . 0 0 "[ . 1 . 2 ]" 2
181 3 16 GLY O 3 20 SER H 2.300 . 2.500 1.857 1.817 1.901 . 0 0 "[ . 1 . 2 ]" 2
182 3 16 GLY O 3 20 SER N 3.300 2.300 3.500 2.813 2.766 2.860 . 0 0 "[ . 1 . 2 ]" 2
183 3 17 GLN O 3 21 LEU H 2.300 . 2.500 1.855 1.810 1.907 . 0 0 "[ . 1 . 2 ]" 2
184 3 17 GLN O 3 21 LEU N 3.300 2.300 3.500 2.786 2.749 2.828 . 0 0 "[ . 1 . 2 ]" 2
185 3 18 ALA O 3 22 ALA H 2.300 . 2.500 1.912 1.836 1.977 . 0 0 "[ . 1 . 2 ]" 2
186 3 18 ALA O 3 22 ALA N 3.300 2.300 3.500 2.826 2.759 2.886 . 0 0 "[ . 1 . 2 ]" 2
187 3 19 ARG O 3 23 TYR H 2.300 . 2.500 1.832 1.742 1.929 . 0 0 "[ . 1 . 2 ]" 2
188 3 19 ARG O 3 23 TYR N 3.300 2.300 3.500 2.797 2.716 2.884 . 0 0 "[ . 1 . 2 ]" 2
189 3 20 SER O 3 24 ALA H 2.300 . 2.500 1.913 1.802 2.013 . 0 0 "[ . 1 . 2 ]" 2
190 3 20 SER O 3 24 ALA N 3.300 2.300 3.500 2.830 2.740 2.926 . 0 0 "[ . 1 . 2 ]" 2
191 3 21 LEU O 3 25 ALA H 2.300 . 2.500 1.852 1.784 1.934 . 0 0 "[ . 1 . 2 ]" 2
192 3 21 LEU O 3 25 ALA N 3.300 2.300 3.500 2.760 2.697 2.829 . 0 0 "[ . 1 . 2 ]" 2
193 3 22 ALA O 3 26 LEU H 2.300 . 2.500 2.091 1.997 2.161 . 0 0 "[ . 1 . 2 ]" 2
194 3 22 ALA O 3 26 LEU N 3.300 2.300 3.500 3.013 2.932 3.077 . 0 0 "[ . 1 . 2 ]" 2
195 3 23 TYR O 3 27 LYS H 2.300 . 2.500 1.975 1.888 2.035 . 0 0 "[ . 1 . 2 ]" 2
196 3 23 TYR O 3 27 LYS N 3.300 2.300 3.500 2.923 2.841 2.980 . 0 0 "[ . 1 . 2 ]" 2
197 3 24 ALA O 3 28 GLN H 2.300 . 2.500 2.002 1.932 2.030 . 0 0 "[ . 1 . 2 ]" 2
198 3 24 ALA O 3 28 GLN N 3.300 2.300 3.500 2.918 2.858 2.947 . 0 0 "[ . 1 . 2 ]" 2
199 3 25 ALA O 3 29 ALA H 2.300 . 2.500 2.093 2.011 2.168 . 0 0 "[ . 1 . 2 ]" 2
200 3 25 ALA O 3 29 ALA N 3.300 2.300 3.500 2.996 2.925 3.062 . 0 0 "[ . 1 . 2 ]" 2
201 3 26 LEU O 3 30 LYS H 2.300 . 2.500 1.989 1.895 2.026 . 0 0 "[ . 1 . 2 ]" 2
202 3 26 LEU O 3 30 LYS N 3.300 2.300 3.500 2.916 2.824 2.954 . 0 0 "[ . 1 . 2 ]" 2
203 3 27 LYS O 3 31 GLN H 2.300 . 2.500 2.292 2.224 2.303 . 0 0 "[ . 1 . 2 ]" 2
204 3 27 LYS O 3 31 GLN N 3.300 2.300 3.500 3.070 3.029 3.082 . 0 0 "[ . 1 . 2 ]" 2
205 3 33 ASP O 3 37 ALA H 2.300 . 2.500 2.089 1.991 2.150 . 0 0 "[ . 1 . 2 ]" 2
206 3 33 ASP O 3 37 ALA N 3.300 2.300 3.500 2.973 2.874 3.036 . 0 0 "[ . 1 . 2 ]" 2
207 3 34 PHE O 3 38 LYS H 2.300 . 2.500 1.986 1.933 2.068 . 0 0 "[ . 1 . 2 ]" 2
208 3 34 PHE O 3 38 LYS N 3.300 2.300 3.500 2.943 2.894 3.018 . 0 0 "[ . 1 . 2 ]" 2
209 3 35 ALA O 3 39 ALA H 2.300 . 2.500 2.179 2.104 2.272 . 0 0 "[ . 1 . 2 ]" 2
210 3 35 ALA O 3 39 ALA N 3.300 2.300 3.500 3.127 3.064 3.216 . 0 0 "[ . 1 . 2 ]" 2
211 3 36 ALA O 3 40 MET H 2.300 . 2.500 2.007 1.937 2.137 . 0 0 "[ . 1 . 2 ]" 2
212 3 36 ALA O 3 40 MET N 3.300 2.300 3.500 2.923 2.860 3.042 . 0 0 "[ . 1 . 2 ]" 2
213 3 37 ALA O 3 41 MET H 2.300 . 2.500 1.957 1.879 2.092 . 0 0 "[ . 1 . 2 ]" 2
214 3 37 ALA O 3 41 MET N 3.300 2.300 3.500 2.887 2.796 3.034 . 0 0 "[ . 1 . 2 ]" 2
215 3 38 LYS O 3 42 ASP H 2.300 . 2.500 2.018 1.941 2.120 . 0 0 "[ . 1 . 2 ]" 2
216 3 38 LYS O 3 42 ASP N 3.300 2.300 3.500 2.945 2.876 3.036 . 0 0 "[ . 1 . 2 ]" 2
217 3 39 ALA O 3 43 GLN H 2.300 . 2.500 2.118 2.053 2.185 . 0 0 "[ . 1 . 2 ]" 2
218 3 39 ALA O 3 43 GLN N 3.300 2.300 3.500 3.065 3.002 3.129 . 0 0 "[ . 1 . 2 ]" 2
219 3 40 MET O 3 44 SER H 2.300 . 2.500 1.973 1.870 2.074 . 0 0 "[ . 1 . 2 ]" 2
220 3 40 MET O 3 44 SER N 3.300 2.300 3.500 2.899 2.800 2.986 . 0 0 "[ . 1 . 2 ]" 2
221 3 41 MET O 3 45 ARG H 2.300 . 2.500 1.990 1.902 2.103 . 0 0 "[ . 1 . 2 ]" 2
222 3 41 MET O 3 45 ARG N 3.300 2.300 3.500 2.942 2.858 3.051 . 0 0 "[ . 1 . 2 ]" 2
223 3 42 ASP O 3 46 MET H 2.300 . 2.500 2.086 2.028 2.145 . 0 0 "[ . 1 . 2 ]" 2
224 3 42 ASP O 3 46 MET N 3.300 2.300 3.500 3.020 2.964 3.079 . 0 0 "[ . 1 . 2 ]" 2
225 3 43 GLN O 3 47 ALA H 2.300 . 2.500 2.017 1.956 2.070 . 0 0 "[ . 1 . 2 ]" 2
226 3 43 GLN O 3 47 ALA N 3.300 2.300 3.500 2.948 2.881 3.007 . 0 0 "[ . 1 . 2 ]" 2
227 3 44 SER O 3 48 LEU H 2.300 . 2.500 1.961 1.897 2.039 . 0 0 "[ . 1 . 2 ]" 2
228 3 44 SER O 3 48 LEU N 3.300 2.300 3.500 2.892 2.831 2.967 . 0 0 "[ . 1 . 2 ]" 2
229 3 45 ARG O 3 49 ASN H 2.300 . 2.500 1.888 1.851 1.949 . 0 0 "[ . 1 . 2 ]" 2
230 3 45 ARG O 3 49 ASN N 3.300 2.300 3.500 2.805 2.768 2.861 . 0 0 "[ . 1 . 2 ]" 2
231 3 46 MET O 3 50 GLU H 2.300 . 2.500 2.148 2.112 2.188 . 0 0 "[ . 1 . 2 ]" 2
232 3 46 MET O 3 50 GLU N 3.300 2.300 3.500 3.071 3.043 3.113 . 0 0 "[ . 1 . 2 ]" 2
233 3 47 ALA O 3 51 ALA H 2.300 . 2.500 2.177 2.143 2.217 . 0 0 "[ . 1 . 2 ]" 2
234 3 47 ALA O 3 51 ALA N 3.300 2.300 3.500 3.084 3.054 3.119 . 0 0 "[ . 1 . 2 ]" 2
235 3 48 LEU O 3 52 HIS H 2.300 . 2.500 1.787 1.735 1.829 . 0 0 "[ . 1 . 2 ]" 2
236 3 48 LEU O 3 52 HIS N 3.300 2.300 3.500 2.743 2.695 2.786 . 0 0 "[ . 1 . 2 ]" 2
237 3 49 ASN O 3 53 LEU H 2.300 . 2.500 2.010 1.970 2.031 . 0 0 "[ . 1 . 2 ]" 2
238 3 49 ASN O 3 53 LEU N 3.300 2.300 3.500 2.908 2.869 2.933 . 0 0 "[ . 1 . 2 ]" 2
239 3 50 GLU O 3 54 VAL H 2.300 . 2.500 2.276 2.229 2.299 . 0 0 "[ . 1 . 2 ]" 2
240 3 50 GLU O 3 54 VAL N 3.300 2.300 3.500 3.198 3.152 3.222 . 0 0 "[ . 1 . 2 ]" 2
241 3 51 ALA O 3 55 GLN H 2.300 . 2.500 1.979 1.894 2.129 . 0 0 "[ . 1 . 2 ]" 2
242 3 51 ALA O 3 55 GLN N 3.300 2.300 3.500 2.925 2.841 3.069 . 0 0 "[ . 1 . 2 ]" 2
243 3 52 HIS O 3 56 THR H 2.300 . 2.500 1.848 1.780 1.925 . 0 0 "[ . 1 . 2 ]" 2
244 3 52 HIS O 3 56 THR N 3.300 2.300 3.500 2.789 2.729 2.859 . 0 0 "[ . 1 . 2 ]" 2
245 3 53 LEU O 3 57 LYS H 2.300 . 2.500 2.275 2.126 2.310 . 0 0 "[ . 1 . 2 ]" 2
246 3 53 LEU O 3 57 LYS N 3.300 2.300 3.500 3.189 3.039 3.228 . 0 0 "[ . 1 . 2 ]" 2
247 3 54 VAL O 3 58 LEU H 2.300 . 2.500 2.191 2.085 2.306 . 0 0 "[ . 1 . 2 ]" 2
248 3 54 VAL O 3 58 LEU N 3.300 2.300 3.500 3.090 3.003 3.144 . 0 0 "[ . 1 . 2 ]" 2
249 3 55 GLN O 3 59 ILE H 2.300 . 2.500 2.095 1.848 2.304 . 0 0 "[ . 1 . 2 ]" 2
250 3 55 GLN O 3 59 ILE N 3.300 2.300 3.500 2.943 2.776 3.087 . 0 0 "[ . 1 . 2 ]" 2
251 3 56 THR O 3 60 GLU H 2.300 . 2.500 1.906 1.791 2.212 . 0 0 "[ . 1 . 2 ]" 2
252 3 56 THR O 3 60 GLU N 3.300 2.300 3.500 2.785 2.674 3.025 . 0 0 "[ . 1 . 2 ]" 2
253 3 71 SER OG 3 74 LEU H 2.300 . 2.500 2.266 2.028 2.513 0.013 4 0 "[ . 1 . 2 ]" 2
254 3 71 SER OG 3 74 LEU N 3.300 2.300 3.500 3.209 2.992 3.448 . 0 0 "[ . 1 . 2 ]" 2
255 3 71 SER O 3 75 VAL H 2.300 . 2.500 2.001 1.880 2.104 . 0 0 "[ . 1 . 2 ]" 2
256 3 71 SER O 3 75 VAL N 3.300 2.300 3.500 2.925 2.804 3.027 . 0 0 "[ . 1 . 2 ]" 2
257 3 72 LEU O 3 76 GLU H 2.300 . 2.500 2.162 2.054 2.278 . 0 0 "[ . 1 . 2 ]" 2
258 3 72 LEU O 3 76 GLU N 3.300 2.300 3.500 3.121 3.017 3.231 . 0 0 "[ . 1 . 2 ]" 2
259 3 73 VAL O 3 77 ALA H 2.300 . 2.500 2.191 2.159 2.234 . 0 0 "[ . 1 . 2 ]" 2
260 3 73 VAL O 3 77 ALA N 3.300 2.300 3.500 3.145 3.113 3.182 . 0 0 "[ . 1 . 2 ]" 2
261 3 74 LEU O 3 78 GLN H 2.300 . 2.500 1.826 1.781 1.907 . 0 0 "[ . 1 . 2 ]" 2
262 3 74 LEU O 3 78 GLN N 3.300 2.300 3.500 2.768 2.737 2.843 . 0 0 "[ . 1 . 2 ]" 2
263 3 75 VAL O 3 79 LEU H 2.300 . 2.500 1.845 1.792 1.946 . 0 0 "[ . 1 . 2 ]" 2
264 3 75 VAL O 3 79 LEU N 3.300 2.300 3.500 2.773 2.730 2.861 . 0 0 "[ . 1 . 2 ]" 2
265 3 76 GLU O 3 80 HIS H 2.300 . 2.500 2.263 2.215 2.302 . 0 0 "[ . 1 . 2 ]" 2
266 3 76 GLU O 3 80 HIS N 3.300 2.300 3.500 3.208 3.163 3.248 . 0 0 "[ . 1 . 2 ]" 2
267 3 77 ALA O 3 81 LEU H 2.300 . 2.500 1.947 1.895 1.989 . 0 0 "[ . 1 . 2 ]" 2
268 3 77 ALA O 3 81 LEU N 3.300 2.300 3.500 2.915 2.863 2.956 . 0 0 "[ . 1 . 2 ]" 2
269 3 78 GLN O 3 82 MET H 2.300 . 2.500 1.712 1.678 1.733 . 0 0 "[ . 1 . 2 ]" 2
270 3 78 GLN O 3 82 MET N 3.300 2.300 3.500 2.655 2.624 2.682 . 0 0 "[ . 1 . 2 ]" 2
271 3 79 LEU O 3 83 THR H 2.300 . 2.500 2.066 2.027 2.101 . 0 0 "[ . 1 . 2 ]" 2
272 3 79 LEU O 3 83 THR N 3.300 2.300 3.500 2.984 2.946 3.018 . 0 0 "[ . 1 . 2 ]" 2
273 3 80 HIS O 3 84 SER H 2.300 . 2.500 1.875 1.826 1.971 . 0 0 "[ . 1 . 2 ]" 2
274 3 80 HIS O 3 84 SER N 3.300 2.300 3.500 2.825 2.779 2.906 . 0 0 "[ . 1 . 2 ]" 2
275 3 81 LEU O 3 85 MET H 2.300 . 2.500 1.781 1.759 1.806 . 0 0 "[ . 1 . 2 ]" 2
276 3 81 LEU O 3 85 MET N 3.300 2.300 3.500 2.746 2.721 2.778 . 0 0 "[ . 1 . 2 ]" 2
277 3 82 MET O 3 86 LEU H 2.300 . 2.500 1.938 1.908 1.963 . 0 0 "[ . 1 . 2 ]" 2
278 3 82 MET O 3 86 LEU N 3.300 2.300 3.500 2.893 2.864 2.924 . 0 0 "[ . 1 . 2 ]" 2
279 3 83 THR O 3 87 ALA H 2.300 . 2.500 1.894 1.843 1.938 . 0 0 "[ . 1 . 2 ]" 2
280 3 83 THR O 3 87 ALA N 3.300 2.300 3.500 2.827 2.772 2.869 . 0 0 "[ . 1 . 2 ]" 2
281 3 84 SER O 3 88 ARG H 2.300 . 2.500 1.803 1.761 1.865 . 0 0 "[ . 1 . 2 ]" 2
282 3 84 SER O 3 88 ARG N 3.300 2.300 3.500 2.759 2.720 2.816 . 0 0 "[ . 1 . 2 ]" 2
283 3 85 MET O 3 89 GLU H 2.300 . 2.500 1.963 1.861 2.058 . 0 0 "[ . 1 . 2 ]" 2
284 3 85 MET O 3 89 GLU N 3.300 2.300 3.500 2.912 2.818 2.998 . 0 0 "[ . 1 . 2 ]" 2
285 3 86 LEU O 3 90 LEU H 2.300 . 2.500 1.906 1.852 1.985 . 0 0 "[ . 1 . 2 ]" 2
286 3 86 LEU O 3 90 LEU N 3.300 2.300 3.500 2.855 2.822 2.935 . 0 0 "[ . 1 . 2 ]" 2
287 3 87 ALA O 3 91 ILE H 2.300 . 2.500 1.797 1.737 1.847 . 0 0 "[ . 1 . 2 ]" 2
288 3 87 ALA O 3 91 ILE N 3.300 2.300 3.500 2.733 2.667 2.785 . 0 0 "[ . 1 . 2 ]" 2
289 3 88 ARG O 3 92 THR H 2.300 . 2.500 1.919 1.848 2.005 . 0 0 "[ . 1 . 2 ]" 2
290 3 88 ARG O 3 92 THR N 3.300 2.300 3.500 2.839 2.773 2.923 . 0 0 "[ . 1 . 2 ]" 2
291 3 89 GLU O 3 93 GLU H 2.300 . 2.500 2.201 2.159 2.256 . 0 0 "[ . 1 . 2 ]" 2
292 3 89 GLU O 3 93 GLU N 3.300 2.300 3.500 3.136 3.095 3.191 . 0 0 "[ . 1 . 2 ]" 2
293 3 90 LEU O 3 94 LEU H 2.300 . 2.500 1.884 1.853 1.917 . 0 0 "[ . 1 . 2 ]" 2
294 3 90 LEU O 3 94 LEU N 3.300 2.300 3.500 2.828 2.789 2.856 . 0 0 "[ . 1 . 2 ]" 2
295 3 91 ILE O 3 95 ILE H 2.300 . 2.500 1.803 1.766 1.862 . 0 0 "[ . 1 . 2 ]" 2
296 3 91 ILE O 3 95 ILE N 3.300 2.300 3.500 2.744 2.710 2.797 . 0 0 "[ . 1 . 2 ]" 2
297 3 92 THR O 3 96 GLU H 2.300 . 2.500 1.993 1.938 2.057 . 0 0 "[ . 1 . 2 ]" 2
298 3 92 THR O 3 96 GLU N 3.300 2.300 3.500 2.914 2.861 2.974 . 0 0 "[ . 1 . 2 ]" 2
299 3 93 GLU O 3 97 LEU H 2.300 . 2.500 1.937 1.873 2.006 . 0 0 "[ . 1 . 2 ]" 2
300 3 93 GLU O 3 97 LEU N 3.300 2.300 3.500 2.837 2.780 2.896 . 0 0 "[ . 1 . 2 ]" 2
301 3 94 LEU O 3 98 HIS H 2.300 . 2.500 2.062 1.969 2.119 . 0 0 "[ . 1 . 2 ]" 2
302 3 94 LEU O 3 98 HIS N 3.300 2.300 3.500 2.971 2.896 3.027 . 0 0 "[ . 1 . 2 ]" 2
303 3 95 ILE O 3 99 GLU H 2.300 . 2.500 2.167 2.013 2.256 . 0 0 "[ . 1 . 2 ]" 2
304 3 95 ILE O 3 99 GLU N 3.300 2.300 3.500 3.069 2.934 3.138 . 0 0 "[ . 1 . 2 ]" 2
305 3 96 GLU O 3 100 LYS H 2.300 . 2.500 2.205 1.987 2.295 . 0 0 "[ . 1 . 2 ]" 2
306 3 96 GLU O 3 100 LYS N 3.300 2.300 3.500 3.090 2.876 3.188 . 0 0 "[ . 1 . 2 ]" 2
307 3 97 LEU O 3 101 LEU H 2.300 . 2.500 2.147 1.980 2.289 . 0 0 "[ . 1 . 2 ]" 2
308 3 97 LEU O 3 101 LEU N 3.300 2.300 3.500 3.028 2.874 3.120 . 0 0 "[ . 1 . 2 ]" 2
309 4 3 GLU O 4 7 VAL H 2.300 . 2.500 1.865 1.744 2.193 . 0 0 "[ . 1 . 2 ]" 2
310 4 3 GLU O 4 7 VAL N 3.300 2.300 3.500 2.810 2.697 3.108 . 0 0 "[ . 1 . 2 ]" 2
311 4 4 LEU O 4 8 VAL H 2.300 . 2.500 1.995 1.932 2.129 . 0 0 "[ . 1 . 2 ]" 2
312 4 4 LEU O 4 8 VAL N 3.300 2.300 3.500 2.907 2.841 3.047 . 0 0 "[ . 1 . 2 ]" 2
313 4 5 GLU O 4 9 MET H 2.300 . 2.500 2.256 2.187 2.295 . 0 0 "[ . 1 . 2 ]" 2
314 4 5 GLU O 4 9 MET N 3.300 2.300 3.500 3.203 3.143 3.239 . 0 0 "[ . 1 . 2 ]" 2
315 4 6 GLU O 4 10 GLY H 2.300 . 2.500 2.110 2.044 2.173 . 0 0 "[ . 1 . 2 ]" 2
316 4 6 GLU O 4 10 GLY N 3.300 2.300 3.500 3.025 2.963 3.080 . 0 0 "[ . 1 . 2 ]" 2
317 4 7 VAL O 4 11 LEU H 2.300 . 2.500 1.892 1.851 1.959 . 0 0 "[ . 1 . 2 ]" 2
318 4 7 VAL O 4 11 LEU N 3.300 2.300 3.500 2.811 2.774 2.875 . 0 0 "[ . 1 . 2 ]" 2
319 4 8 VAL O 4 12 ILE H 2.300 . 2.500 1.841 1.807 1.876 . 0 0 "[ . 1 . 2 ]" 2
320 4 8 VAL O 4 12 ILE N 3.300 2.300 3.500 2.781 2.746 2.815 . 0 0 "[ . 1 . 2 ]" 2
321 4 9 MET O 4 13 ILE H 2.300 . 2.500 1.954 1.916 1.983 . 0 0 "[ . 1 . 2 ]" 2
322 4 9 MET O 4 13 ILE N 3.300 2.300 3.500 2.894 2.857 2.918 . 0 0 "[ . 1 . 2 ]" 2
323 4 10 GLY O 4 14 ASN H 2.300 . 2.500 1.830 1.798 1.882 . 0 0 "[ . 1 . 2 ]" 2
324 4 10 GLY O 4 14 ASN N 3.300 2.300 3.500 2.764 2.730 2.816 . 0 0 "[ . 1 . 2 ]" 2
325 4 11 LEU O 4 15 SER H 2.300 . 2.500 1.835 1.788 1.859 . 0 0 "[ . 1 . 2 ]" 2
326 4 11 LEU O 4 15 SER N 3.300 2.300 3.500 2.789 2.737 2.816 . 0 0 "[ . 1 . 2 ]" 2
327 4 12 ILE O 4 16 GLY H 2.300 . 2.500 1.922 1.887 1.953 . 0 0 "[ . 1 . 2 ]" 2
328 4 12 ILE O 4 16 GLY N 3.300 2.300 3.500 2.861 2.830 2.889 . 0 0 "[ . 1 . 2 ]" 2
329 4 13 ILE O 4 17 GLN H 2.300 . 2.500 1.835 1.801 1.869 . 0 0 "[ . 1 . 2 ]" 2
330 4 13 ILE O 4 17 GLN N 3.300 2.300 3.500 2.761 2.731 2.793 . 0 0 "[ . 1 . 2 ]" 2
331 4 14 ASN O 4 18 ALA H 2.300 . 2.500 1.813 1.770 1.866 . 0 0 "[ . 1 . 2 ]" 2
332 4 14 ASN O 4 18 ALA N 3.300 2.300 3.500 2.753 2.721 2.798 . 0 0 "[ . 1 . 2 ]" 2
333 4 15 SER O 4 19 ARG H 2.300 . 2.500 1.973 1.923 2.039 . 0 0 "[ . 1 . 2 ]" 2
334 4 15 SER O 4 19 ARG N 3.300 2.300 3.500 2.938 2.888 3.001 . 0 0 "[ . 1 . 2 ]" 2
335 4 16 GLY O 4 20 SER H 2.300 . 2.500 1.857 1.820 1.894 . 0 0 "[ . 1 . 2 ]" 2
336 4 16 GLY O 4 20 SER N 3.300 2.300 3.500 2.814 2.770 2.854 . 0 0 "[ . 1 . 2 ]" 2
337 4 17 GLN O 4 21 LEU H 2.300 . 2.500 1.854 1.812 1.908 . 0 0 "[ . 1 . 2 ]" 2
338 4 17 GLN O 4 21 LEU N 3.300 2.300 3.500 2.783 2.750 2.825 . 0 0 "[ . 1 . 2 ]" 2
339 4 18 ALA O 4 22 ALA H 2.300 . 2.500 1.912 1.839 1.966 . 0 0 "[ . 1 . 2 ]" 2
340 4 18 ALA O 4 22 ALA N 3.300 2.300 3.500 2.826 2.760 2.877 . 0 0 "[ . 1 . 2 ]" 2
341 4 19 ARG O 4 23 TYR H 2.300 . 2.500 1.834 1.744 1.930 . 0 0 "[ . 1 . 2 ]" 2
342 4 19 ARG O 4 23 TYR N 3.300 2.300 3.500 2.799 2.717 2.886 . 0 0 "[ . 1 . 2 ]" 2
343 4 20 SER O 4 24 ALA H 2.300 . 2.500 1.912 1.810 2.010 . 0 0 "[ . 1 . 2 ]" 2
344 4 20 SER O 4 24 ALA N 3.300 2.300 3.500 2.829 2.747 2.923 . 0 0 "[ . 1 . 2 ]" 2
345 4 21 LEU O 4 25 ALA H 2.300 . 2.500 1.850 1.774 1.927 . 0 0 "[ . 1 . 2 ]" 2
346 4 21 LEU O 4 25 ALA N 3.300 2.300 3.500 2.758 2.690 2.825 . 0 0 "[ . 1 . 2 ]" 2
347 4 22 ALA O 4 26 LEU H 2.300 . 2.500 2.091 1.999 2.155 . 0 0 "[ . 1 . 2 ]" 2
348 4 22 ALA O 4 26 LEU N 3.300 2.300 3.500 3.011 2.932 3.071 . 0 0 "[ . 1 . 2 ]" 2
349 4 23 TYR O 4 27 LYS H 2.300 . 2.500 1.972 1.884 2.034 . 0 0 "[ . 1 . 2 ]" 2
350 4 23 TYR O 4 27 LYS N 3.300 2.300 3.500 2.921 2.839 2.979 . 0 0 "[ . 1 . 2 ]" 2
351 4 24 ALA O 4 28 GLN H 2.300 . 2.500 2.004 1.946 2.034 . 0 0 "[ . 1 . 2 ]" 2
352 4 24 ALA O 4 28 GLN N 3.300 2.300 3.500 2.920 2.866 2.948 . 0 0 "[ . 1 . 2 ]" 2
353 4 25 ALA O 4 29 ALA H 2.300 . 2.500 2.098 2.015 2.174 . 0 0 "[ . 1 . 2 ]" 2
354 4 25 ALA O 4 29 ALA N 3.300 2.300 3.500 3.002 2.933 3.067 . 0 0 "[ . 1 . 2 ]" 2
355 4 26 LEU O 4 30 LYS H 2.300 . 2.500 1.990 1.898 2.028 . 0 0 "[ . 1 . 2 ]" 2
356 4 26 LEU O 4 30 LYS N 3.300 2.300 3.500 2.916 2.824 2.956 . 0 0 "[ . 1 . 2 ]" 2
357 4 27 LYS O 4 31 GLN H 2.300 . 2.500 2.291 2.222 2.301 . 0 0 "[ . 1 . 2 ]" 2
358 4 27 LYS O 4 31 GLN N 3.300 2.300 3.500 3.069 3.030 3.085 . 0 0 "[ . 1 . 2 ]" 2
359 4 33 ASP O 4 37 ALA H 2.300 . 2.500 2.089 1.993 2.145 . 0 0 "[ . 1 . 2 ]" 2
360 4 33 ASP O 4 37 ALA N 3.300 2.300 3.500 2.972 2.874 3.029 . 0 0 "[ . 1 . 2 ]" 2
361 4 34 PHE O 4 38 LYS H 2.300 . 2.500 1.987 1.933 2.068 . 0 0 "[ . 1 . 2 ]" 2
362 4 34 PHE O 4 38 LYS N 3.300 2.300 3.500 2.943 2.894 3.018 . 0 0 "[ . 1 . 2 ]" 2
363 4 35 ALA O 4 39 ALA H 2.300 . 2.500 2.179 2.106 2.280 . 0 0 "[ . 1 . 2 ]" 2
364 4 35 ALA O 4 39 ALA N 3.300 2.300 3.500 3.127 3.065 3.223 . 0 0 "[ . 1 . 2 ]" 2
365 4 36 ALA O 4 40 MET H 2.300 . 2.500 2.005 1.939 2.144 . 0 0 "[ . 1 . 2 ]" 2
366 4 36 ALA O 4 40 MET N 3.300 2.300 3.500 2.925 2.864 3.051 . 0 0 "[ . 1 . 2 ]" 2
367 4 37 ALA O 4 41 MET H 2.300 . 2.500 1.955 1.881 2.086 . 0 0 "[ . 1 . 2 ]" 2
368 4 37 ALA O 4 41 MET N 3.300 2.300 3.500 2.886 2.798 3.035 . 0 0 "[ . 1 . 2 ]" 2
369 4 38 LYS O 4 42 ASP H 2.300 . 2.500 2.016 1.941 2.118 . 0 0 "[ . 1 . 2 ]" 2
370 4 38 LYS O 4 42 ASP N 3.300 2.300 3.500 2.944 2.875 3.037 . 0 0 "[ . 1 . 2 ]" 2
371 4 39 ALA O 4 43 GLN H 2.300 . 2.500 2.119 2.060 2.186 . 0 0 "[ . 1 . 2 ]" 2
372 4 39 ALA O 4 43 GLN N 3.300 2.300 3.500 3.066 3.013 3.129 . 0 0 "[ . 1 . 2 ]" 2
373 4 40 MET O 4 44 SER H 2.300 . 2.500 1.974 1.873 2.073 . 0 0 "[ . 1 . 2 ]" 2
374 4 40 MET O 4 44 SER N 3.300 2.300 3.500 2.898 2.803 2.985 . 0 0 "[ . 1 . 2 ]" 2
375 4 41 MET O 4 45 ARG H 2.300 . 2.500 1.985 1.893 2.096 . 0 0 "[ . 1 . 2 ]" 2
376 4 41 MET O 4 45 ARG N 3.300 2.300 3.500 2.938 2.850 3.045 . 0 0 "[ . 1 . 2 ]" 2
377 4 42 ASP O 4 46 MET H 2.300 . 2.500 2.085 2.029 2.146 . 0 0 "[ . 1 . 2 ]" 2
378 4 42 ASP O 4 46 MET N 3.300 2.300 3.500 3.021 2.967 3.080 . 0 0 "[ . 1 . 2 ]" 2
379 4 43 GLN O 4 47 ALA H 2.300 . 2.500 2.017 1.958 2.073 . 0 0 "[ . 1 . 2 ]" 2
380 4 43 GLN O 4 47 ALA N 3.300 2.300 3.500 2.949 2.886 3.010 . 0 0 "[ . 1 . 2 ]" 2
381 4 44 SER O 4 48 LEU H 2.300 . 2.500 1.964 1.889 2.037 . 0 0 "[ . 1 . 2 ]" 2
382 4 44 SER O 4 48 LEU N 3.300 2.300 3.500 2.894 2.822 2.965 . 0 0 "[ . 1 . 2 ]" 2
383 4 45 ARG O 4 49 ASN H 2.300 . 2.500 1.886 1.848 1.946 . 0 0 "[ . 1 . 2 ]" 2
384 4 45 ARG O 4 49 ASN N 3.300 2.300 3.500 2.805 2.770 2.854 . 0 0 "[ . 1 . 2 ]" 2
385 4 46 MET O 4 50 GLU H 2.300 . 2.500 2.145 2.101 2.187 . 0 0 "[ . 1 . 2 ]" 2
386 4 46 MET O 4 50 GLU N 3.300 2.300 3.500 3.068 3.036 3.108 . 0 0 "[ . 1 . 2 ]" 2
387 4 47 ALA O 4 51 ALA H 2.300 . 2.500 2.177 2.143 2.206 . 0 0 "[ . 1 . 2 ]" 2
388 4 47 ALA O 4 51 ALA N 3.300 2.300 3.500 3.082 3.054 3.112 . 0 0 "[ . 1 . 2 ]" 2
389 4 48 LEU O 4 52 HIS H 2.300 . 2.500 1.785 1.726 1.825 . 0 0 "[ . 1 . 2 ]" 2
390 4 48 LEU O 4 52 HIS N 3.300 2.300 3.500 2.740 2.685 2.783 . 0 0 "[ . 1 . 2 ]" 2
391 4 49 ASN O 4 53 LEU H 2.300 . 2.500 2.007 1.967 2.033 . 0 0 "[ . 1 . 2 ]" 2
392 4 49 ASN O 4 53 LEU N 3.300 2.300 3.500 2.906 2.865 2.934 . 0 0 "[ . 1 . 2 ]" 2
393 4 50 GLU O 4 54 VAL H 2.300 . 2.500 2.274 2.229 2.298 . 0 0 "[ . 1 . 2 ]" 2
394 4 50 GLU O 4 54 VAL N 3.300 2.300 3.500 3.196 3.147 3.227 . 0 0 "[ . 1 . 2 ]" 2
395 4 51 ALA O 4 55 GLN H 2.300 . 2.500 1.979 1.899 2.132 . 0 0 "[ . 1 . 2 ]" 2
396 4 51 ALA O 4 55 GLN N 3.300 2.300 3.500 2.926 2.843 3.070 . 0 0 "[ . 1 . 2 ]" 2
397 4 52 HIS O 4 56 THR H 2.300 . 2.500 1.848 1.784 1.925 . 0 0 "[ . 1 . 2 ]" 2
398 4 52 HIS O 4 56 THR N 3.300 2.300 3.500 2.790 2.735 2.859 . 0 0 "[ . 1 . 2 ]" 2
399 4 53 LEU O 4 57 LYS H 2.300 . 2.500 2.275 2.132 2.304 . 0 0 "[ . 1 . 2 ]" 2
400 4 53 LEU O 4 57 LYS N 3.300 2.300 3.500 3.190 3.046 3.223 . 0 0 "[ . 1 . 2 ]" 2
401 4 54 VAL O 4 58 LEU H 2.300 . 2.500 2.194 2.093 2.303 . 0 0 "[ . 1 . 2 ]" 2
402 4 54 VAL O 4 58 LEU N 3.300 2.300 3.500 3.090 3.005 3.148 . 0 0 "[ . 1 . 2 ]" 2
403 4 55 GLN O 4 59 ILE H 2.300 . 2.500 2.096 1.850 2.303 . 0 0 "[ . 1 . 2 ]" 2
404 4 55 GLN O 4 59 ILE N 3.300 2.300 3.500 2.943 2.782 3.086 . 0 0 "[ . 1 . 2 ]" 2
405 4 56 THR O 4 60 GLU H 2.300 . 2.500 1.905 1.784 2.216 . 0 0 "[ . 1 . 2 ]" 2
406 4 56 THR O 4 60 GLU N 3.300 2.300 3.500 2.784 2.670 3.030 . 0 0 "[ . 1 . 2 ]" 2
407 4 71 SER OG 4 74 LEU H 2.300 . 2.500 2.281 2.038 2.544 0.044 4 0 "[ . 1 . 2 ]" 2
408 4 71 SER OG 4 74 LEU N 3.300 2.300 3.500 3.222 3.002 3.475 . 0 0 "[ . 1 . 2 ]" 2
409 4 71 SER O 4 75 VAL H 2.300 . 2.500 2.065 1.937 2.171 . 0 0 "[ . 1 . 2 ]" 2
410 4 71 SER O 4 75 VAL N 3.300 2.300 3.500 2.984 2.856 3.085 . 0 0 "[ . 1 . 2 ]" 2
411 4 72 LEU O 4 76 GLU H 2.300 . 2.500 2.167 2.053 2.275 . 0 0 "[ . 1 . 2 ]" 2
412 4 72 LEU O 4 76 GLU N 3.300 2.300 3.500 3.111 3.005 3.215 . 0 0 "[ . 1 . 2 ]" 2
413 4 73 VAL O 4 77 ALA H 2.300 . 2.500 2.199 2.165 2.236 . 0 0 "[ . 1 . 2 ]" 2
414 4 73 VAL O 4 77 ALA N 3.300 2.300 3.500 3.147 3.114 3.181 . 0 0 "[ . 1 . 2 ]" 2
415 4 74 LEU O 4 78 GLN H 2.300 . 2.500 1.800 1.755 1.879 . 0 0 "[ . 1 . 2 ]" 2
416 4 74 LEU O 4 78 GLN N 3.300 2.300 3.500 2.740 2.709 2.815 . 0 0 "[ . 1 . 2 ]" 2
417 4 75 VAL O 4 79 LEU H 2.300 . 2.500 1.834 1.786 1.932 . 0 0 "[ . 1 . 2 ]" 2
418 4 75 VAL O 4 79 LEU N 3.300 2.300 3.500 2.762 2.725 2.847 . 0 0 "[ . 1 . 2 ]" 2
419 4 76 GLU O 4 80 HIS H 2.300 . 2.500 2.258 2.214 2.299 . 0 0 "[ . 1 . 2 ]" 2
420 4 76 GLU O 4 80 HIS N 3.300 2.300 3.500 3.204 3.163 3.245 . 0 0 "[ . 1 . 2 ]" 2
421 4 77 ALA O 4 81 LEU H 2.300 . 2.500 1.944 1.892 1.987 . 0 0 "[ . 1 . 2 ]" 2
422 4 77 ALA O 4 81 LEU N 3.300 2.300 3.500 2.914 2.862 2.954 . 0 0 "[ . 1 . 2 ]" 2
423 4 78 GLN O 4 82 MET H 2.300 . 2.500 1.711 1.672 1.733 . 0 0 "[ . 1 . 2 ]" 2
424 4 78 GLN O 4 82 MET N 3.300 2.300 3.500 2.655 2.620 2.683 . 0 0 "[ . 1 . 2 ]" 2
425 4 79 LEU O 4 83 THR H 2.300 . 2.500 2.063 2.018 2.101 . 0 0 "[ . 1 . 2 ]" 2
426 4 79 LEU O 4 83 THR N 3.300 2.300 3.500 2.982 2.940 3.020 . 0 0 "[ . 1 . 2 ]" 2
427 4 80 HIS O 4 84 SER H 2.300 . 2.500 1.872 1.819 1.973 . 0 0 "[ . 1 . 2 ]" 2
428 4 80 HIS O 4 84 SER N 3.300 2.300 3.500 2.825 2.776 2.911 . 0 0 "[ . 1 . 2 ]" 2
429 4 81 LEU O 4 85 MET H 2.300 . 2.500 1.782 1.762 1.812 . 0 0 "[ . 1 . 2 ]" 2
430 4 81 LEU O 4 85 MET N 3.300 2.300 3.500 2.747 2.726 2.781 . 0 0 "[ . 1 . 2 ]" 2
431 4 82 MET O 4 86 LEU H 2.300 . 2.500 1.940 1.911 1.965 . 0 0 "[ . 1 . 2 ]" 2
432 4 82 MET O 4 86 LEU N 3.300 2.300 3.500 2.895 2.862 2.923 . 0 0 "[ . 1 . 2 ]" 2
433 4 83 THR O 4 87 ALA H 2.300 . 2.500 1.894 1.847 1.937 . 0 0 "[ . 1 . 2 ]" 2
434 4 83 THR O 4 87 ALA N 3.300 2.300 3.500 2.825 2.775 2.868 . 0 0 "[ . 1 . 2 ]" 2
435 4 84 SER O 4 88 ARG H 2.300 . 2.500 1.803 1.756 1.860 . 0 0 "[ . 1 . 2 ]" 2
436 4 84 SER O 4 88 ARG N 3.300 2.300 3.500 2.760 2.718 2.813 . 0 0 "[ . 1 . 2 ]" 2
437 4 85 MET O 4 89 GLU H 2.300 . 2.500 1.964 1.860 2.051 . 0 0 "[ . 1 . 2 ]" 2
438 4 85 MET O 4 89 GLU N 3.300 2.300 3.500 2.912 2.817 2.993 . 0 0 "[ . 1 . 2 ]" 2
439 4 86 LEU O 4 90 LEU H 2.300 . 2.500 1.908 1.852 1.988 . 0 0 "[ . 1 . 2 ]" 2
440 4 86 LEU O 4 90 LEU N 3.300 2.300 3.500 2.855 2.822 2.937 . 0 0 "[ . 1 . 2 ]" 2
441 4 87 ALA O 4 91 ILE H 2.300 . 2.500 1.799 1.745 1.846 . 0 0 "[ . 1 . 2 ]" 2
442 4 87 ALA O 4 91 ILE N 3.300 2.300 3.500 2.732 2.662 2.783 . 0 0 "[ . 1 . 2 ]" 2
443 4 88 ARG O 4 92 THR H 2.300 . 2.500 1.919 1.853 2.010 . 0 0 "[ . 1 . 2 ]" 2
444 4 88 ARG O 4 92 THR N 3.300 2.300 3.500 2.837 2.774 2.925 . 0 0 "[ . 1 . 2 ]" 2
445 4 89 GLU O 4 93 GLU H 2.300 . 2.500 2.202 2.157 2.261 . 0 0 "[ . 1 . 2 ]" 2
446 4 89 GLU O 4 93 GLU N 3.300 2.300 3.500 3.136 3.095 3.195 . 0 0 "[ . 1 . 2 ]" 2
447 4 90 LEU O 4 94 LEU H 2.300 . 2.500 1.884 1.856 1.914 . 0 0 "[ . 1 . 2 ]" 2
448 4 90 LEU O 4 94 LEU N 3.300 2.300 3.500 2.828 2.795 2.856 . 0 0 "[ . 1 . 2 ]" 2
449 4 91 ILE O 4 95 ILE H 2.300 . 2.500 1.802 1.764 1.868 . 0 0 "[ . 1 . 2 ]" 2
450 4 91 ILE O 4 95 ILE N 3.300 2.300 3.500 2.743 2.709 2.801 . 0 0 "[ . 1 . 2 ]" 2
451 4 92 THR O 4 96 GLU H 2.300 . 2.500 1.994 1.946 2.058 . 0 0 "[ . 1 . 2 ]" 2
452 4 92 THR O 4 96 GLU N 3.300 2.300 3.500 2.915 2.868 2.976 . 0 0 "[ . 1 . 2 ]" 2
453 4 93 GLU O 4 97 LEU H 2.300 . 2.500 1.938 1.878 2.005 . 0 0 "[ . 1 . 2 ]" 2
454 4 93 GLU O 4 97 LEU N 3.300 2.300 3.500 2.838 2.782 2.896 . 0 0 "[ . 1 . 2 ]" 2
455 4 94 LEU O 4 98 HIS H 2.300 . 2.500 2.064 1.971 2.124 . 0 0 "[ . 1 . 2 ]" 2
456 4 94 LEU O 4 98 HIS N 3.300 2.300 3.500 2.972 2.895 3.032 . 0 0 "[ . 1 . 2 ]" 2
457 4 95 ILE O 4 99 GLU H 2.300 . 2.500 2.166 2.011 2.256 . 0 0 "[ . 1 . 2 ]" 2
458 4 95 ILE O 4 99 GLU N 3.300 2.300 3.500 3.070 2.933 3.138 . 0 0 "[ . 1 . 2 ]" 2
459 4 96 GLU O 4 100 LYS H 2.300 . 2.500 2.206 1.987 2.297 . 0 0 "[ . 1 . 2 ]" 2
460 4 96 GLU O 4 100 LYS N 3.300 2.300 3.500 3.091 2.877 3.187 . 0 0 "[ . 1 . 2 ]" 2
461 4 97 LEU O 4 101 LEU H 2.300 . 2.500 2.150 1.989 2.294 . 0 0 "[ . 1 . 2 ]" 2
462 4 97 LEU O 4 101 LEU N 3.300 2.300 3.500 3.028 2.878 3.123 . 0 0 "[ . 1 . 2 ]" 2
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