NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
450583 |
2rlz   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rlz
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 913
_Distance_constraint_stats_list.Viol_count 223
_Distance_constraint_stats_list.Viol_total 91.282
_Distance_constraint_stats_list.Viol_max 0.248
_Distance_constraint_stats_list.Viol_rms 0.0097
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0010
_Distance_constraint_stats_list.Viol_average_violations_only 0.0409
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 0.108 0.035 7 0 "[ . 1]"
1 2 VAL 1.627 0.248 9 0 "[ . 1]"
1 3 GLN 0.032 0.023 4 0 "[ . 1]"
1 4 GLN 0.000 0.000 . 0 "[ . 1]"
1 5 LYS 0.138 0.039 2 0 "[ . 1]"
1 6 VAL 0.000 0.000 . 0 "[ . 1]"
1 7 GLU 0.018 0.011 9 0 "[ . 1]"
1 8 VAL 0.039 0.014 4 0 "[ . 1]"
1 9 ARG 0.049 0.032 8 0 "[ . 1]"
1 10 LEU 0.197 0.082 8 0 "[ . 1]"
1 11 LYS 0.148 0.082 8 0 "[ . 1]"
1 12 THR 0.026 0.009 6 0 "[ . 1]"
1 13 GLY 0.017 0.009 6 0 "[ . 1]"
1 14 LEU 0.006 0.006 7 0 "[ . 1]"
1 15 GLN 0.000 0.000 . 0 "[ . 1]"
1 16 ALA 0.000 0.000 . 0 "[ . 1]"
1 17 ARG 0.000 0.000 . 0 "[ . 1]"
1 18 PRO 0.000 0.000 . 0 "[ . 1]"
1 19 ALA 0.000 0.000 . 0 "[ . 1]"
1 20 ALA 0.000 0.000 . 0 "[ . 1]"
1 21 LEU 0.000 0.000 . 0 "[ . 1]"
1 22 PHE 0.000 0.000 . 0 "[ . 1]"
1 23 VAL 0.000 0.000 . 0 "[ . 1]"
1 24 GLN 0.000 0.000 . 0 "[ . 1]"
1 25 GLU 0.000 0.000 . 0 "[ . 1]"
1 26 ALA 0.000 0.000 . 0 "[ . 1]"
1 27 ASN 0.000 0.000 . 0 "[ . 1]"
1 28 ARG 0.000 0.000 . 0 "[ . 1]"
1 29 PHE 0.000 0.000 . 0 "[ . 1]"
1 30 THR 0.040 0.040 8 0 "[ . 1]"
1 31 SER 0.350 0.043 6 0 "[ . 1]"
1 32 ASP 0.000 0.000 . 0 "[ . 1]"
1 33 VAL 0.592 0.150 1 0 "[ . 1]"
1 34 PHE 0.661 0.150 1 0 "[ . 1]"
1 35 LEU 0.061 0.061 8 0 "[ . 1]"
1 36 GLU 0.171 0.038 2 0 "[ . 1]"
1 37 LYS 0.000 0.000 . 0 "[ . 1]"
1 38 ASP 0.000 0.000 . 0 "[ . 1]"
1 39 GLY 0.000 0.000 . 0 "[ . 1]"
1 40 LYS 0.000 0.000 . 0 "[ . 1]"
1 41 LYS 0.154 0.129 5 0 "[ . 1]"
1 42 VAL 0.312 0.129 5 0 "[ . 1]"
1 43 ASN 0.000 0.000 . 0 "[ . 1]"
1 44 ALA 0.008 0.008 8 0 "[ . 1]"
1 45 LYS 0.158 0.034 7 0 "[ . 1]"
1 46 SER 0.000 0.000 . 0 "[ . 1]"
1 47 ILE 0.039 0.039 4 0 "[ . 1]"
1 48 MET 0.039 0.039 4 0 "[ . 1]"
1 49 GLY 0.000 0.000 . 0 "[ . 1]"
1 50 LEU 0.000 0.000 . 0 "[ . 1]"
1 51 MET 0.000 0.000 . 0 "[ . 1]"
1 52 SER 0.000 0.000 . 0 "[ . 1]"
1 53 LEU 0.000 0.000 . 0 "[ . 1]"
1 54 ALA 0.000 0.000 . 0 "[ . 1]"
1 55 VAL 0.098 0.058 5 0 "[ . 1]"
1 56 SER 0.124 0.058 5 0 "[ . 1]"
1 57 THR 0.072 0.063 3 0 "[ . 1]"
1 58 GLY 0.000 0.000 . 0 "[ . 1]"
1 59 THR 0.026 0.015 4 0 "[ . 1]"
1 60 GLU 0.106 0.053 10 0 "[ . 1]"
1 61 VAL 0.031 0.016 10 0 "[ . 1]"
1 62 THR 0.000 0.000 . 0 "[ . 1]"
1 63 LEU 0.120 0.074 10 0 "[ . 1]"
1 64 ILE 0.197 0.045 7 0 "[ . 1]"
1 65 ALA 0.130 0.033 10 0 "[ . 1]"
1 66 GLN 0.329 0.064 3 0 "[ . 1]"
1 67 GLY 1.513 0.245 9 0 "[ . 1]"
1 68 GLU 0.535 0.214 3 0 "[ . 1]"
1 69 ASP 0.080 0.043 6 0 "[ . 1]"
1 70 GLU 0.438 0.214 3 0 "[ . 1]"
1 71 GLN 0.000 0.000 . 0 "[ . 1]"
1 72 GLU 0.008 0.008 3 0 "[ . 1]"
1 73 ALA 0.000 0.000 . 0 "[ . 1]"
1 74 LEU 0.000 0.000 . 0 "[ . 1]"
1 75 GLU 0.000 0.000 . 0 "[ . 1]"
1 76 LYS 0.000 0.000 . 0 "[ . 1]"
1 77 LEU 0.074 0.074 10 0 "[ . 1]"
1 78 ALA 0.000 0.000 . 0 "[ . 1]"
1 79 ALA 0.000 0.000 . 0 "[ . 1]"
1 80 TYR 0.013 0.008 9 0 "[ . 1]"
1 81 VAL 0.000 0.000 . 0 "[ . 1]"
1 82 GLN 0.000 0.000 . 0 "[ . 1]"
1 83 GLU 0.008 0.008 9 0 "[ . 1]"
1 84 GLU 0.004 0.004 10 0 "[ . 1]"
1 85 VAL 0.000 0.000 . 0 "[ . 1]"
2 1 MET 0.075 0.031 7 0 "[ . 1]"
2 2 VAL 1.640 0.245 9 0 "[ . 1]"
2 3 GLN 0.043 0.021 4 0 "[ . 1]"
2 4 GLN 0.000 0.000 . 0 "[ . 1]"
2 5 LYS 0.147 0.038 2 0 "[ . 1]"
2 6 VAL 0.000 0.000 . 0 "[ . 1]"
2 7 GLU 0.014 0.008 2 0 "[ . 1]"
2 8 VAL 0.047 0.012 4 0 "[ . 1]"
2 9 ARG 0.050 0.031 8 0 "[ . 1]"
2 10 LEU 0.199 0.083 8 0 "[ . 1]"
2 11 LYS 0.149 0.083 8 0 "[ . 1]"
2 12 THR 0.023 0.009 6 0 "[ . 1]"
2 13 GLY 0.017 0.009 6 0 "[ . 1]"
2 14 LEU 0.009 0.006 3 0 "[ . 1]"
2 15 GLN 0.000 0.000 . 0 "[ . 1]"
2 16 ALA 0.000 0.000 . 0 "[ . 1]"
2 17 ARG 0.000 0.000 . 0 "[ . 1]"
2 18 PRO 0.000 0.000 . 0 "[ . 1]"
2 19 ALA 0.000 0.000 . 0 "[ . 1]"
2 20 ALA 0.000 0.000 . 0 "[ . 1]"
2 21 LEU 0.000 0.000 . 0 "[ . 1]"
2 22 PHE 0.000 0.000 . 0 "[ . 1]"
2 23 VAL 0.000 0.000 . 0 "[ . 1]"
2 24 GLN 0.000 0.000 . 0 "[ . 1]"
2 25 GLU 0.000 0.000 . 0 "[ . 1]"
2 26 ALA 0.000 0.000 . 0 "[ . 1]"
2 27 ASN 0.000 0.000 . 0 "[ . 1]"
2 28 ARG 0.000 0.000 . 0 "[ . 1]"
2 29 PHE 0.000 0.000 . 0 "[ . 1]"
2 30 THR 0.042 0.042 8 0 "[ . 1]"
2 31 SER 0.353 0.043 6 0 "[ . 1]"
2 32 ASP 0.000 0.000 . 0 "[ . 1]"
2 33 VAL 0.588 0.148 1 0 "[ . 1]"
2 34 PHE 0.659 0.148 1 0 "[ . 1]"
2 35 LEU 0.062 0.062 8 0 "[ . 1]"
2 36 GLU 0.167 0.039 2 0 "[ . 1]"
2 37 LYS 0.000 0.000 . 0 "[ . 1]"
2 38 ASP 0.000 0.000 . 0 "[ . 1]"
2 39 GLY 0.000 0.000 . 0 "[ . 1]"
2 40 LYS 0.000 0.000 . 0 "[ . 1]"
2 41 LYS 0.155 0.131 5 0 "[ . 1]"
2 42 VAL 0.315 0.131 5 0 "[ . 1]"
2 43 ASN 0.000 0.000 . 0 "[ . 1]"
2 44 ALA 0.008 0.008 8 0 "[ . 1]"
2 45 LYS 0.160 0.033 7 0 "[ . 1]"
2 46 SER 0.000 0.000 . 0 "[ . 1]"
2 47 ILE 0.035 0.035 4 0 "[ . 1]"
2 48 MET 0.035 0.035 4 0 "[ . 1]"
2 49 GLY 0.000 0.000 . 0 "[ . 1]"
2 50 LEU 0.000 0.000 . 0 "[ . 1]"
2 51 MET 0.000 0.000 . 0 "[ . 1]"
2 52 SER 0.000 0.000 . 0 "[ . 1]"
2 53 LEU 0.000 0.000 . 0 "[ . 1]"
2 54 ALA 0.000 0.000 . 0 "[ . 1]"
2 55 VAL 0.092 0.057 5 0 "[ . 1]"
2 56 SER 0.116 0.057 5 0 "[ . 1]"
2 57 THR 0.072 0.062 3 0 "[ . 1]"
2 58 GLY 0.000 0.000 . 0 "[ . 1]"
2 59 THR 0.024 0.015 4 0 "[ . 1]"
2 60 GLU 0.096 0.052 10 0 "[ . 1]"
2 61 VAL 0.042 0.019 10 0 "[ . 1]"
2 62 THR 0.000 0.000 . 0 "[ . 1]"
2 63 LEU 0.118 0.074 10 0 "[ . 1]"
2 64 ILE 0.184 0.044 7 0 "[ . 1]"
2 65 ALA 0.130 0.034 10 0 "[ . 1]"
2 66 GLN 0.331 0.059 3 0 "[ . 1]"
2 67 GLY 1.521 0.248 9 0 "[ . 1]"
2 68 GLU 0.544 0.214 3 0 "[ . 1]"
2 69 ASP 0.082 0.045 6 0 "[ . 1]"
2 70 GLU 0.441 0.214 3 0 "[ . 1]"
2 71 GLN 0.000 0.000 . 0 "[ . 1]"
2 72 GLU 0.006 0.006 3 0 "[ . 1]"
2 73 ALA 0.000 0.000 . 0 "[ . 1]"
2 74 LEU 0.000 0.000 . 0 "[ . 1]"
2 75 GLU 0.000 0.000 . 0 "[ . 1]"
2 76 LYS 0.000 0.000 . 0 "[ . 1]"
2 77 LEU 0.074 0.074 10 0 "[ . 1]"
2 78 ALA 0.000 0.000 . 0 "[ . 1]"
2 79 ALA 0.000 0.000 . 0 "[ . 1]"
2 80 TYR 0.014 0.011 9 0 "[ . 1]"
2 81 VAL 0.000 0.000 . 0 "[ . 1]"
2 82 GLN 0.000 0.000 . 0 "[ . 1]"
2 83 GLU 0.011 0.011 9 0 "[ . 1]"
2 84 GLU 0.003 0.003 10 0 "[ . 1]"
2 85 VAL 0.000 0.000 . 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 MET HA 2 67 GLY H 3.500 . 5.000 2.143 1.765 3.336 0.035 7 0 "[ . 1]" 1
2 1 2 VAL H 1 2 VAL HB 3.500 . 5.000 3.002 2.833 3.905 . 0 0 "[ . 1]" 1
3 1 2 VAL H 1 3 GLN HA 3.500 . 5.000 4.916 4.771 5.023 0.023 4 0 "[ . 1]" 1
4 1 2 VAL H 1 3 GLN QB 3.500 . 5.000 4.465 4.338 4.549 . 0 0 "[ . 1]" 1
5 1 2 VAL H 1 3 GLN QG 3.500 . 5.000 4.332 4.155 4.497 . 0 0 "[ . 1]" 1
6 1 2 VAL H 2 65 ALA MB 3.500 . 5.000 4.461 4.368 4.560 . 0 0 "[ . 1]" 1
7 1 2 VAL H 2 66 GLN HA 3.500 . 5.000 2.064 1.741 2.863 0.059 3 0 "[ . 1]" 1
8 1 2 VAL H 2 66 GLN QB 3.500 . 5.000 3.649 3.038 4.366 . 0 0 "[ . 1]" 1
9 1 2 VAL H 2 70 GLU QB 3.500 . 5.000 3.774 2.213 4.475 . 0 0 "[ . 1]" 1
10 1 2 VAL HA 1 3 GLN QB 3.800 . 5.000 4.407 4.363 4.473 . 0 0 "[ . 1]" 1
11 1 2 VAL HA 1 3 GLN QG 3.800 . 5.000 3.151 3.027 3.485 . 0 0 "[ . 1]" 1
12 1 2 VAL HA 2 67 GLY H 3.500 . 5.000 5.141 5.083 5.248 0.248 9 0 "[ . 1]" 1
13 1 2 VAL HB 2 74 LEU MD2 3.800 . 5.000 4.127 3.361 4.474 . 0 0 "[ . 1]" 1
14 1 2 VAL QG 1 3 GLN QG 3.800 . 5.000 3.643 3.439 4.012 . 0 0 "[ . 1]" 1
15 1 3 GLN HA 1 3 GLN QG 3.800 . 5.000 3.279 3.258 3.287 . 0 0 "[ . 1]" 1
16 1 3 GLN HA 2 64 ILE HA 3.800 . 5.000 3.534 2.411 5.010 0.010 7 0 "[ . 1]" 1
17 1 3 GLN HA 2 65 ALA H 3.500 . 5.000 2.978 2.431 3.999 . 0 0 "[ . 1]" 1
18 1 3 GLN QG 1 4 GLN HA 3.800 . 5.000 4.250 4.070 4.389 . 0 0 "[ . 1]" 1
19 1 4 GLN HA 1 5 LYS H 3.500 . 5.000 2.259 2.156 2.443 . 0 0 "[ . 1]" 1
20 1 4 GLN QB 1 5 LYS H 3.500 . 5.000 3.102 2.382 3.744 . 0 0 "[ . 1]" 1
21 1 5 LYS H 1 5 LYS QB 3.500 . 5.000 2.270 2.219 2.335 . 0 0 "[ . 1]" 1
22 1 5 LYS H 1 5 LYS QD 3.500 . 5.000 4.455 4.340 4.506 . 0 0 "[ . 1]" 1
23 1 5 LYS HA 1 5 LYS QD 3.800 . 5.000 3.954 3.835 4.168 . 0 0 "[ . 1]" 1
24 1 5 LYS HA 1 5 LYS QE 3.800 . 5.000 4.257 3.673 4.459 . 0 0 "[ . 1]" 1
25 1 5 LYS HA 1 5 LYS QG 3.800 . 5.000 2.283 2.199 2.472 . 0 0 "[ . 1]" 1
26 1 5 LYS HA 1 6 VAL H 3.500 . 5.000 2.341 2.275 2.418 . 0 0 "[ . 1]" 1
27 1 5 LYS HA 2 36 GLU H 4.500 . 7.000 7.009 6.965 7.039 0.039 2 0 "[ . 1]" 1
28 1 5 LYS QB 1 6 VAL H 3.500 . 5.000 3.330 3.127 3.465 . 0 0 "[ . 1]" 1
29 1 5 LYS QG 1 6 VAL HA 3.800 . 5.000 3.656 3.218 3.883 . 0 0 "[ . 1]" 1
30 1 5 LYS QG 2 61 VAL H 3.500 . 5.000 4.339 4.138 4.471 . 0 0 "[ . 1]" 1
31 1 6 VAL H 1 6 VAL HB 3.500 . 5.000 3.869 3.807 3.918 . 0 0 "[ . 1]" 1
32 1 6 VAL H 1 6 VAL MG2 3.500 . 5.000 2.229 2.145 2.292 . 0 0 "[ . 1]" 1
33 1 6 VAL H 2 60 GLU QB 3.500 . 5.000 4.453 4.318 4.497 . 0 0 "[ . 1]" 1
34 1 6 VAL H 2 61 VAL MG1 4.500 . 7.000 4.049 3.809 4.383 . 0 0 "[ . 1]" 1
35 1 6 VAL HA 1 7 GLU H 3.500 . 5.000 2.513 2.407 2.572 . 0 0 "[ . 1]" 1
36 1 6 VAL HB 1 7 GLU H 3.500 . 5.000 2.206 2.068 2.446 . 0 0 "[ . 1]" 1
37 1 6 VAL HB 1 7 GLU QB 3.800 . 5.000 4.426 4.333 4.483 . 0 0 "[ . 1]" 1
38 1 6 VAL MG1 2 61 VAL H 4.500 . 8.000 5.788 5.742 5.882 . 0 0 "[ . 1]" 1
39 1 6 VAL MG2 2 61 VAL H 3.500 . 6.500 3.435 3.265 3.670 . 0 0 "[ . 1]" 1
40 1 7 GLU H 1 7 GLU QB 3.500 . 5.000 2.478 2.329 2.602 . 0 0 "[ . 1]" 1
41 1 7 GLU H 1 7 GLU QG 3.500 . 5.000 3.430 2.683 4.082 . 0 0 "[ . 1]" 1
42 1 7 GLU HA 2 61 VAL H 3.500 . 5.000 2.806 2.552 3.033 . 0 0 "[ . 1]" 1
43 1 7 GLU QB 1 8 VAL H 3.500 . 5.000 3.124 2.523 3.647 . 0 0 "[ . 1]" 1
44 1 7 GLU HB2 2 60 GLU HA 3.800 . 5.000 4.747 4.095 5.011 0.011 9 0 "[ . 1]" 1
45 1 7 GLU QG 2 60 GLU HA 3.800 . 5.000 3.329 2.546 3.924 . 0 0 "[ . 1]" 1
46 1 8 VAL H 1 8 VAL HB 3.500 . 5.000 2.437 2.340 2.553 . 0 0 "[ . 1]" 1
47 1 8 VAL H 1 8 VAL MG2 3.500 . 5.000 2.343 1.974 2.533 . 0 0 "[ . 1]" 1
48 1 8 VAL H 2 60 GLU HA 3.500 . 5.000 1.885 1.786 2.102 0.014 4 0 "[ . 1]" 1
49 1 8 VAL H 2 61 VAL HB 3.500 . 5.000 4.783 4.378 5.013 0.013 3 0 "[ . 1]" 1
50 1 8 VAL HA 1 9 ARG H 3.500 . 5.000 2.204 2.154 2.245 . 0 0 "[ . 1]" 1
51 1 8 VAL HB 2 58 GLY H 4.500 . 7.000 4.843 4.258 5.302 . 0 0 "[ . 1]" 1
52 1 8 VAL HB 2 59 THR H 3.500 . 5.000 4.256 3.756 4.735 . 0 0 "[ . 1]" 1
53 1 8 VAL MG1 2 58 GLY H 3.500 . 6.000 4.809 4.247 5.159 . 0 0 "[ . 1]" 1
54 1 8 VAL MG2 2 61 VAL H 3.500 . 5.000 2.623 2.453 2.989 . 0 0 "[ . 1]" 1
55 1 8 VAL MG2 2 61 VAL HB 3.800 . 5.000 2.128 2.020 2.351 . 0 0 "[ . 1]" 1
56 1 8 VAL MG2 2 61 VAL MG1 3.800 . 5.000 2.214 2.068 2.382 . 0 0 "[ . 1]" 1
57 1 9 ARG H 1 10 LEU HA 3.500 . 5.000 4.304 4.094 4.832 . 0 0 "[ . 1]" 1
58 1 9 ARG H 1 10 LEU QD 3.500 . 5.000 3.219 2.194 3.649 . 0 0 "[ . 1]" 1
59 1 9 ARG HA 1 10 LEU H 3.500 . 5.000 3.344 3.190 3.543 . 0 0 "[ . 1]" 1
60 1 9 ARG HA 2 58 GLY H 3.500 . 5.000 4.731 3.912 4.980 . 0 0 "[ . 1]" 1
61 1 9 ARG QB 1 10 LEU H 3.500 . 5.000 3.021 1.768 3.524 0.032 8 0 "[ . 1]" 1
62 1 9 ARG QB 2 83 GLU H 3.500 . 5.000 3.801 2.542 4.203 . 0 0 "[ . 1]" 1
63 1 10 LEU H 1 10 LEU QB 3.500 . 5.000 2.639 2.323 3.260 . 0 0 "[ . 1]" 1
64 1 10 LEU H 2 14 LEU MD2 4.500 . 8.000 4.914 4.276 6.606 . 0 0 "[ . 1]" 1
65 1 10 LEU H 2 83 GLU QG 3.500 . 5.000 4.172 3.894 4.456 . 0 0 "[ . 1]" 1
66 1 10 LEU HA 1 10 LEU QD 3.800 . 5.000 2.248 2.060 2.575 . 0 0 "[ . 1]" 1
67 1 10 LEU HA 1 11 LYS H 3.500 . 5.000 2.627 2.283 3.312 . 0 0 "[ . 1]" 1
68 1 10 LEU QB 1 11 LYS H 3.500 . 5.000 2.182 1.718 2.706 0.082 8 0 "[ . 1]" 1
69 1 10 LEU QB 1 12 THR MG 3.800 . 5.000 3.882 3.391 4.266 . 0 0 "[ . 1]" 1
70 1 10 LEU QD 2 35 LEU MD2 3.800 . 6.000 5.252 4.940 5.362 . 0 0 "[ . 1]" 1
71 1 11 LYS H 1 11 LYS QB 3.500 . 5.000 2.555 2.420 2.967 . 0 0 "[ . 1]" 1
72 1 11 LYS H 2 18 PRO QG 3.500 . 5.000 4.206 3.628 4.465 . 0 0 "[ . 1]" 1
73 1 11 LYS HA 1 12 THR H 3.500 . 5.000 2.352 2.157 2.578 . 0 0 "[ . 1]" 1
74 1 11 LYS HA 1 12 THR MG 3.800 . 5.000 3.211 2.988 3.514 . 0 0 "[ . 1]" 1
75 1 11 LYS QB 1 12 THR H 3.500 . 5.000 2.597 2.174 3.188 . 0 0 "[ . 1]" 1
76 1 11 LYS QB 2 15 GLN H 3.500 . 5.000 4.260 3.879 4.428 . 0 0 "[ . 1]" 1
77 1 11 LYS QB 2 18 PRO QG 3.800 . 5.000 3.443 3.065 3.920 . 0 0 "[ . 1]" 1
78 1 12 THR HA 1 13 GLY H 3.500 . 5.000 2.322 2.158 2.459 . 0 0 "[ . 1]" 1
79 1 12 THR HA 2 13 GLY HA3 3.800 . 5.000 4.832 4.548 5.009 0.009 6 0 "[ . 1]" 1
80 1 12 THR HA 2 14 LEU HB3 3.800 . 5.000 4.857 4.478 5.006 0.006 3 0 "[ . 1]" 1
81 1 12 THR HA 2 15 GLN H 3.500 . 5.000 4.164 3.052 4.942 . 0 0 "[ . 1]" 1
82 1 12 THR HB 1 13 GLY H 3.500 . 5.000 2.776 2.381 3.404 . 0 0 "[ . 1]" 1
83 1 12 THR MG 2 14 LEU H 3.500 . 6.000 3.960 2.596 4.837 . 0 0 "[ . 1]" 1
84 1 12 THR MG 2 57 THR H 4.500 . 8.000 3.930 3.100 4.982 . 0 0 "[ . 1]" 1
85 1 13 GLY QA 1 14 LEU H 3.500 . 5.000 2.269 2.181 2.295 . 0 0 "[ . 1]" 1
86 1 13 GLY QA 1 14 LEU QB 3.800 . 5.000 4.318 4.206 4.400 . 0 0 "[ . 1]" 1
87 1 13 GLY QA 1 54 ALA HA 3.800 . 5.000 4.070 3.242 4.455 . 0 0 "[ . 1]" 1
88 1 13 GLY QA 1 55 VAL H 3.500 . 5.000 3.468 2.929 4.050 . 0 0 "[ . 1]" 1
89 1 13 GLY HA3 2 12 THR HA 3.800 . 5.000 4.833 4.551 5.009 0.009 6 0 "[ . 1]" 1
90 1 14 LEU H 1 14 LEU QB 3.500 . 5.000 2.757 2.652 2.870 . 0 0 "[ . 1]" 1
91 1 14 LEU H 2 12 THR MG 3.500 . 6.000 3.963 2.599 4.838 . 0 0 "[ . 1]" 1
92 1 14 LEU HA 1 14 LEU QD 3.800 . 5.000 2.543 2.063 3.253 . 0 0 "[ . 1]" 1
93 1 14 LEU HA 1 15 GLN H 3.500 . 5.000 2.227 2.147 2.310 . 0 0 "[ . 1]" 1
94 1 14 LEU HA 1 15 GLN HA 3.800 . 5.000 4.361 4.332 4.418 . 0 0 "[ . 1]" 1
95 1 14 LEU HA 1 15 GLN QB 3.800 . 5.000 4.371 4.204 4.445 . 0 0 "[ . 1]" 1
96 1 14 LEU HA 1 15 GLN QG 3.800 . 5.000 3.845 3.683 4.227 . 0 0 "[ . 1]" 1
97 1 14 LEU HA 1 18 PRO QB 3.800 . 5.000 4.397 4.318 4.482 . 0 0 "[ . 1]" 1
98 1 14 LEU HA 1 18 PRO QG 3.800 . 5.000 3.476 3.196 3.818 . 0 0 "[ . 1]" 1
99 1 14 LEU QB 1 15 GLN H 3.500 . 5.000 2.960 2.673 3.417 . 0 0 "[ . 1]" 1
100 1 14 LEU QB 1 18 PRO QB 3.800 . 5.000 2.818 2.490 3.324 . 0 0 "[ . 1]" 1
101 1 14 LEU QB 1 18 PRO QG 3.800 . 5.000 2.857 2.235 3.200 . 0 0 "[ . 1]" 1
102 1 14 LEU HB3 2 12 THR HA 3.800 . 5.000 4.859 4.478 5.006 0.006 7 0 "[ . 1]" 1
103 1 14 LEU QD 1 18 PRO QB 3.800 . 5.000 3.328 2.965 3.732 . 0 0 "[ . 1]" 1
104 1 14 LEU QD 1 18 PRO QG 3.800 . 5.000 3.774 3.309 4.314 . 0 0 "[ . 1]" 1
105 1 14 LEU QD 1 55 VAL MG2 3.800 . 5.000 2.567 1.943 3.601 . 0 0 "[ . 1]" 1
106 1 14 LEU MD2 2 10 LEU H 4.500 . 8.000 4.916 4.277 6.619 . 0 0 "[ . 1]" 1
107 1 15 GLN H 1 15 GLN QG 3.500 . 5.000 2.423 2.043 2.728 . 0 0 "[ . 1]" 1
108 1 15 GLN H 2 11 LYS QB 3.500 . 5.000 4.263 3.884 4.424 . 0 0 "[ . 1]" 1
109 1 15 GLN H 2 12 THR HA 3.500 . 5.000 4.167 3.076 4.946 . 0 0 "[ . 1]" 1
110 1 15 GLN HA 1 16 ALA MB 3.800 . 5.000 4.194 4.130 4.230 . 0 0 "[ . 1]" 1
111 1 15 GLN QB 1 16 ALA HA 3.800 . 5.000 4.184 4.169 4.216 . 0 0 "[ . 1]" 1
112 1 15 GLN QB 1 17 ARG QB 3.800 . 5.000 3.259 3.030 3.853 . 0 0 "[ . 1]" 1
113 1 15 GLN QB 1 18 PRO QB 3.800 . 5.000 4.140 3.923 4.457 . 0 0 "[ . 1]" 1
114 1 15 GLN QB 1 18 PRO QD 3.800 . 5.000 2.071 2.022 2.131 . 0 0 "[ . 1]" 1
115 1 15 GLN QB 1 18 PRO QG 3.800 . 5.000 2.458 2.223 2.783 . 0 0 "[ . 1]" 1
116 1 17 ARG H 1 17 ARG QB 3.500 . 5.000 2.157 2.051 2.872 . 0 0 "[ . 1]" 1
117 1 17 ARG QB 1 18 PRO QD 3.800 . 5.000 2.042 2.014 2.206 . 0 0 "[ . 1]" 1
118 1 17 ARG QB 1 18 PRO QG 3.800 . 5.000 3.574 3.450 3.818 . 0 0 "[ . 1]" 1
119 1 18 PRO QB 1 19 ALA H 3.500 . 5.000 2.706 2.335 3.353 . 0 0 "[ . 1]" 1
120 1 18 PRO QB 1 21 LEU QB 3.800 . 5.000 4.366 4.195 4.476 . 0 0 "[ . 1]" 1
121 1 18 PRO QG 1 19 ALA H 3.500 . 5.000 3.287 2.248 3.710 . 0 0 "[ . 1]" 1
122 1 18 PRO QG 2 11 LYS H 3.500 . 5.000 4.209 3.621 4.470 . 0 0 "[ . 1]" 1
123 1 18 PRO QG 2 11 LYS QB 3.800 . 5.000 3.446 3.079 3.923 . 0 0 "[ . 1]" 1
124 1 19 ALA HA 1 20 ALA H 3.500 . 5.000 3.531 3.504 3.564 . 0 0 "[ . 1]" 1
125 1 19 ALA HA 1 22 PHE QB 4.800 . 7.000 2.567 2.376 2.734 . 0 0 "[ . 1]" 1
126 1 19 ALA MB 1 47 ILE HA 3.800 . 5.000 3.256 2.727 3.775 . 0 0 "[ . 1]" 1
127 1 20 ALA HA 1 22 PHE H 3.500 . 5.000 4.184 4.011 4.406 . 0 0 "[ . 1]" 1
128 1 20 ALA HA 1 23 VAL H 3.500 . 5.000 3.864 3.743 4.023 . 0 0 "[ . 1]" 1
129 1 20 ALA HA 1 24 GLN HG2 3.800 . 5.000 4.605 4.468 4.811 . 0 0 "[ . 1]" 1
130 1 20 ALA HA 1 47 ILE HB 3.800 . 6.000 5.257 3.739 5.866 . 0 0 "[ . 1]" 1
131 1 20 ALA MB 1 21 LEU H 3.500 . 5.000 2.505 2.337 2.680 . 0 0 "[ . 1]" 1
132 1 20 ALA MB 1 21 LEU QD 3.800 . 5.000 3.266 2.222 3.774 . 0 0 "[ . 1]" 1
133 1 21 LEU HA 1 21 LEU QD 3.800 . 5.000 2.216 1.931 2.377 . 0 0 "[ . 1]" 1
134 1 21 LEU HA 1 24 GLN HB2 3.800 . 5.000 2.330 2.278 2.530 . 0 0 "[ . 1]" 1
135 1 21 LEU QB 1 22 PHE QB 3.800 . 5.000 4.220 4.133 4.312 . 0 0 "[ . 1]" 1
136 1 21 LEU QB 1 25 GLU QB 3.800 . 6.000 5.342 5.202 5.395 . 0 0 "[ . 1]" 1
137 1 22 PHE HA 1 23 VAL H 3.500 . 5.000 3.560 3.544 3.578 . 0 0 "[ . 1]" 1
138 1 22 PHE QB 1 23 VAL H 3.500 . 5.000 2.412 2.104 2.541 . 0 0 "[ . 1]" 1
139 1 23 VAL H 1 23 VAL HB 3.500 . 5.000 2.353 2.317 2.491 . 0 0 "[ . 1]" 1
140 1 23 VAL H 1 23 VAL MG2 3.500 . 5.000 2.410 2.211 2.495 . 0 0 "[ . 1]" 1
141 1 23 VAL H 1 24 GLN QG 3.500 . 5.000 4.064 3.735 4.312 . 0 0 "[ . 1]" 1
142 1 23 VAL HB 1 24 GLN H 3.500 . 5.000 2.851 2.755 2.900 . 0 0 "[ . 1]" 1
143 1 23 VAL HB 1 24 GLN HA 3.800 . 5.000 4.417 4.240 4.484 . 0 0 "[ . 1]" 1
144 1 23 VAL HB 1 24 GLN QG 3.800 . 5.000 3.690 3.324 3.927 . 0 0 "[ . 1]" 1
145 1 23 VAL HB 1 47 ILE QG 3.800 . 5.000 3.638 2.958 4.470 . 0 0 "[ . 1]" 1
146 1 23 VAL MG2 1 45 LYS H 3.500 . 5.000 4.494 4.400 4.543 . 0 0 "[ . 1]" 1
147 1 23 VAL MG2 1 45 LYS HA 3.800 . 5.000 3.156 2.352 3.690 . 0 0 "[ . 1]" 1
148 1 23 VAL MG2 1 47 ILE H 3.500 . 5.000 2.972 2.556 3.564 . 0 0 "[ . 1]" 1
149 1 24 GLN H 1 24 GLN QG 3.500 . 5.000 2.182 1.933 2.387 . 0 0 "[ . 1]" 1
150 1 24 GLN HA 1 25 GLU H 3.500 . 5.000 3.541 3.477 3.568 . 0 0 "[ . 1]" 1
151 1 24 GLN HA 1 27 ASN H 3.500 . 5.000 3.412 3.278 3.560 . 0 0 "[ . 1]" 1
152 1 24 GLN HA 1 27 ASN QB 3.800 . 5.000 2.345 2.184 2.531 . 0 0 "[ . 1]" 1
153 1 25 GLU H 1 25 GLU QB 3.500 . 5.000 2.528 2.406 2.625 . 0 0 "[ . 1]" 1
154 1 25 GLU HA 1 26 ALA H 3.500 . 5.000 3.535 3.522 3.559 . 0 0 "[ . 1]" 1
155 1 25 GLU HA 1 26 ALA HA 3.800 . 5.000 4.706 4.663 4.741 . 0 0 "[ . 1]" 1
156 1 25 GLU HA 1 27 ASN H 3.500 . 5.000 3.998 3.681 4.217 . 0 0 "[ . 1]" 1
157 1 25 GLU HA 1 27 ASN QB 3.800 . 5.000 4.490 4.420 4.567 . 0 0 "[ . 1]" 1
158 1 25 GLU HA 1 28 ARG QB 3.800 . 5.000 4.244 3.603 4.481 . 0 0 "[ . 1]" 1
159 1 25 GLU HA 1 28 ARG QD 3.800 . 5.000 4.044 3.381 4.405 . 0 0 "[ . 1]" 1
160 1 25 GLU HA 1 28 ARG QG 3.800 . 5.000 4.427 4.197 4.465 . 0 0 "[ . 1]" 1
161 1 25 GLU HA 1 72 GLU QB 3.800 . 5.000 4.501 4.477 4.525 . 0 0 "[ . 1]" 1
162 1 25 GLU QB 1 26 ALA H 3.500 . 5.000 2.573 2.449 2.638 . 0 0 "[ . 1]" 1
163 1 25 GLU QB 1 26 ALA HA 3.800 . 5.000 3.918 3.871 3.957 . 0 0 "[ . 1]" 1
164 1 25 GLU QB 1 77 LEU HA 3.800 . 5.000 4.095 3.608 4.409 . 0 0 "[ . 1]" 1
165 1 25 GLU QG 1 76 LYS QG 3.800 . 5.000 2.558 2.026 3.076 . 0 0 "[ . 1]" 1
166 1 25 GLU QG 1 80 TYR QB 3.800 . 5.000 3.758 3.463 4.121 . 0 0 "[ . 1]" 1
167 1 26 ALA HA 1 27 ASN H 3.500 . 5.000 3.418 3.256 3.459 . 0 0 "[ . 1]" 1
168 1 26 ALA HA 1 27 ASN HA 3.800 . 5.000 4.894 4.765 4.924 . 0 0 "[ . 1]" 1
169 1 26 ALA HA 1 28 ARG QB 3.800 . 5.000 4.491 4.346 4.562 . 0 0 "[ . 1]" 1
170 1 26 ALA HA 1 29 PHE H 3.500 . 5.000 3.404 2.748 3.739 . 0 0 "[ . 1]" 1
171 1 26 ALA HA 1 29 PHE QB 3.800 . 5.000 3.028 2.271 3.911 . 0 0 "[ . 1]" 1
172 1 26 ALA HA 1 72 GLU QB 3.800 . 5.000 3.728 3.111 4.153 . 0 0 "[ . 1]" 1
173 1 26 ALA MB 1 45 LYS QB 3.800 . 5.000 2.587 1.975 3.338 . 0 0 "[ . 1]" 1
174 1 27 ASN H 1 27 ASN QB 3.500 . 5.000 2.223 2.168 2.260 . 0 0 "[ . 1]" 1
175 1 27 ASN HA 1 28 ARG H 3.500 . 5.000 3.459 3.444 3.477 . 0 0 "[ . 1]" 1
176 1 27 ASN HA 1 28 ARG HA 3.800 . 5.000 4.654 4.635 4.682 . 0 0 "[ . 1]" 1
177 1 27 ASN HA 1 29 PHE H 3.500 . 5.000 3.604 3.432 3.974 . 0 0 "[ . 1]" 1
178 1 27 ASN QB 1 28 ARG H 3.500 . 5.000 2.876 2.780 2.958 . 0 0 "[ . 1]" 1
179 1 27 ASN QB 1 29 PHE H 3.500 . 5.000 4.502 4.474 4.550 . 0 0 "[ . 1]" 1
180 1 28 ARG H 1 29 PHE QB 3.500 . 5.000 4.257 3.919 4.525 . 0 0 "[ . 1]" 1
181 1 28 ARG HA 1 29 PHE H 3.500 . 5.000 3.161 3.019 3.372 . 0 0 "[ . 1]" 1
182 1 28 ARG HA 1 29 PHE HA 3.800 . 5.000 4.755 4.460 4.951 . 0 0 "[ . 1]" 1
183 1 28 ARG QB 1 29 PHE H 3.500 . 5.000 3.503 3.149 3.675 . 0 0 "[ . 1]" 1
184 1 28 ARG QG 1 29 PHE H 3.500 . 5.000 4.380 4.284 4.452 . 0 0 "[ . 1]" 1
185 1 29 PHE H 1 29 PHE QB 3.500 . 5.000 2.429 2.215 2.728 . 0 0 "[ . 1]" 1
186 1 29 PHE HA 1 31 SER H 3.500 . 5.000 3.723 3.337 4.141 . 0 0 "[ . 1]" 1
187 1 29 PHE HA 1 72 GLU QB 3.800 . 5.000 4.288 3.802 4.590 . 0 0 "[ . 1]" 1
188 1 29 PHE QB 1 30 THR H 3.500 . 5.000 2.860 2.085 3.454 . 0 0 "[ . 1]" 1
189 1 29 PHE QB 1 30 THR HA 3.800 . 5.000 4.429 4.125 4.562 . 0 0 "[ . 1]" 1
190 1 29 PHE HB2 1 33 VAL MG2 3.800 . 5.000 3.566 2.340 4.485 . 0 0 "[ . 1]" 1
191 1 30 THR H 1 30 THR MG 3.500 . 5.000 3.289 1.760 4.063 0.040 8 0 "[ . 1]" 1
192 1 30 THR MG 1 31 SER H 3.500 . 5.000 3.935 2.010 4.354 . 0 0 "[ . 1]" 1
193 1 31 SER HA 1 66 GLN H 3.500 . 5.000 4.970 4.652 5.026 0.026 7 0 "[ . 1]" 1
194 1 31 SER HA 1 67 GLY QA 3.800 . 5.000 3.456 2.853 3.928 . 0 0 "[ . 1]" 1
195 1 31 SER HA 1 68 GLU H 3.500 . 5.000 4.977 4.693 5.043 0.043 6 0 "[ . 1]" 1
196 1 31 SER QB 1 65 ALA HA 3.800 . 5.000 4.059 3.628 4.427 . 0 0 "[ . 1]" 1
197 1 31 SER QB 1 66 GLN H 3.500 . 5.000 3.327 2.624 4.299 . 0 0 "[ . 1]" 1
198 1 31 SER QB 1 69 ASP H 3.500 . 5.000 3.615 3.180 4.020 . 0 0 "[ . 1]" 1
199 1 31 SER QB 1 70 GLU H 3.500 . 5.000 3.352 2.446 4.245 . 0 0 "[ . 1]" 1
200 1 32 ASP H 1 32 ASP QB 3.500 . 5.000 3.209 2.352 3.498 . 0 0 "[ . 1]" 1
201 1 32 ASP HA 1 33 VAL H 3.500 . 5.000 2.175 2.150 2.222 . 0 0 "[ . 1]" 1
202 1 32 ASP QB 1 33 VAL H 3.500 . 5.000 3.221 2.969 3.636 . 0 0 "[ . 1]" 1
203 1 32 ASP QB 1 66 GLN H 3.500 . 5.000 4.075 3.332 4.474 . 0 0 "[ . 1]" 1
204 1 33 VAL H 1 33 VAL HB 3.500 . 5.000 2.612 2.437 2.731 . 0 0 "[ . 1]" 1
205 1 33 VAL H 1 34 PHE HA 3.500 . 5.000 5.058 4.991 5.150 0.150 1 0 "[ . 1]" 1
206 1 33 VAL H 1 44 ALA MB 3.500 . 5.000 3.046 2.871 3.317 . 0 0 "[ . 1]" 1
207 1 33 VAL H 1 45 LYS QB 3.500 . 5.000 4.489 4.464 4.518 . 0 0 "[ . 1]" 1
208 1 33 VAL H 1 45 LYS QD 3.500 . 5.000 4.047 3.685 4.455 . 0 0 "[ . 1]" 1
209 1 33 VAL H 1 45 LYS QE 3.500 . 5.000 3.519 2.866 4.420 . 0 0 "[ . 1]" 1
210 1 33 VAL H 1 45 LYS QG 3.500 . 5.000 4.335 4.107 4.470 . 0 0 "[ . 1]" 1
211 1 33 VAL HA 1 34 PHE H 3.500 . 5.000 2.178 2.148 2.310 . 0 0 "[ . 1]" 1
212 1 33 VAL HA 1 65 ALA HA 3.800 . 5.000 3.327 2.749 3.770 . 0 0 "[ . 1]" 1
213 1 33 VAL HA 1 65 ALA MB 3.800 . 5.000 3.575 2.962 4.027 . 0 0 "[ . 1]" 1
214 1 33 VAL HA 1 66 GLN H 3.500 . 6.000 4.989 4.341 5.460 . 0 0 "[ . 1]" 1
215 1 33 VAL HB 1 34 PHE H 3.500 . 5.000 4.081 3.744 4.212 . 0 0 "[ . 1]" 1
216 1 33 VAL HB 1 44 ALA MB 3.800 . 5.000 3.358 2.584 3.950 . 0 0 "[ . 1]" 1
217 1 33 VAL HB 1 45 LYS QB 3.800 . 5.000 2.960 2.270 3.453 . 0 0 "[ . 1]" 1
218 1 33 VAL HB 1 45 LYS QD 3.800 . 5.000 3.572 2.822 4.103 . 0 0 "[ . 1]" 1
219 1 33 VAL HB 1 45 LYS QE 3.800 . 5.000 4.301 3.698 4.469 . 0 0 "[ . 1]" 1
220 1 33 VAL HB 1 45 LYS QG 3.800 . 5.000 4.018 3.112 4.459 . 0 0 "[ . 1]" 1
221 1 33 VAL MG1 1 63 LEU HA 3.800 . 5.000 3.979 3.644 4.362 . 0 0 "[ . 1]" 1
222 1 33 VAL MG2 1 44 ALA MB 3.800 . 5.000 4.313 4.029 4.455 . 0 0 "[ . 1]" 1
223 1 33 VAL MG2 1 73 ALA MB 3.800 . 6.000 3.424 2.756 4.102 . 0 0 "[ . 1]" 1
224 1 34 PHE H 1 34 PHE QB 3.500 . 5.000 2.623 2.477 2.822 . 0 0 "[ . 1]" 1
225 1 34 PHE H 1 35 LEU HA 3.500 . 5.000 4.723 4.586 5.061 0.061 8 0 "[ . 1]" 1
226 1 34 PHE H 1 44 ALA MB 3.500 . 5.000 4.504 4.460 4.543 . 0 0 "[ . 1]" 1
227 1 34 PHE H 1 63 LEU HA 3.500 . 5.000 4.397 3.831 4.668 . 0 0 "[ . 1]" 1
228 1 34 PHE HA 1 35 LEU H 3.500 . 5.000 2.157 2.134 2.265 . 0 0 "[ . 1]" 1
229 1 34 PHE HA 1 35 LEU HA 3.800 . 5.000 4.415 4.401 4.461 . 0 0 "[ . 1]" 1
230 1 34 PHE HA 1 35 LEU QB 3.800 . 5.000 4.330 4.150 4.428 . 0 0 "[ . 1]" 1
231 1 34 PHE HA 1 42 VAL H 3.500 . 6.000 5.200 4.864 5.776 . 0 0 "[ . 1]" 1
232 1 34 PHE HA 1 44 ALA H 3.500 . 5.000 4.812 3.906 5.008 0.008 8 0 "[ . 1]" 1
233 1 34 PHE HA 1 44 ALA MB 3.800 . 5.000 3.043 2.845 3.246 . 0 0 "[ . 1]" 1
234 1 34 PHE QB 1 35 LEU H 3.500 . 5.000 3.274 2.722 3.368 . 0 0 "[ . 1]" 1
235 1 34 PHE QB 1 35 LEU HA 3.800 . 5.000 4.316 4.039 4.422 . 0 0 "[ . 1]" 1
236 1 34 PHE QB 1 36 GLU QB 3.800 . 5.000 4.267 4.036 4.479 . 0 0 "[ . 1]" 1
237 1 34 PHE QB 1 41 LYS QD 3.800 . 5.000 3.693 2.926 4.382 . 0 0 "[ . 1]" 1
238 1 34 PHE QB 1 41 LYS QE 3.800 . 5.000 3.535 2.331 4.458 . 0 0 "[ . 1]" 1
239 1 34 PHE QB 1 41 LYS QG 3.800 . 5.000 4.045 3.577 4.471 . 0 0 "[ . 1]" 1
240 1 34 PHE QB 1 44 ALA HA 3.800 . 5.000 4.245 4.088 4.334 . 0 0 "[ . 1]" 1
241 1 34 PHE QB 1 64 ILE H 3.500 . 5.000 3.734 3.119 4.334 . 0 0 "[ . 1]" 1
242 1 34 PHE QB 1 64 ILE HB 3.800 . 5.000 2.299 2.248 2.453 . 0 0 "[ . 1]" 1
243 1 34 PHE QB 1 64 ILE MD 3.800 . 5.000 2.735 2.075 3.264 . 0 0 "[ . 1]" 1
244 1 35 LEU H 1 42 VAL HA 4.500 . 7.000 6.178 5.954 6.519 . 0 0 "[ . 1]" 1
245 1 35 LEU H 1 44 ALA MB 3.500 . 5.000 4.421 4.276 4.487 . 0 0 "[ . 1]" 1
246 1 35 LEU HA 1 35 LEU MD1 3.800 . 5.000 3.765 3.204 3.876 . 0 0 "[ . 1]" 1
247 1 35 LEU HA 1 36 GLU H 3.500 . 5.000 2.185 2.145 2.319 . 0 0 "[ . 1]" 1
248 1 35 LEU HA 1 36 GLU QB 3.800 . 5.000 4.050 3.928 4.119 . 0 0 "[ . 1]" 1
249 1 35 LEU HA 1 62 THR H 3.500 . 5.000 4.536 3.817 4.996 . 0 0 "[ . 1]" 1
250 1 35 LEU HA 1 63 LEU HA 3.800 . 5.000 2.720 2.438 3.131 . 0 0 "[ . 1]" 1
251 1 35 LEU HA 1 63 LEU QB 3.800 . 5.000 4.379 3.940 4.518 . 0 0 "[ . 1]" 1
252 1 35 LEU HA 1 64 ILE H 3.500 . 5.000 3.779 3.548 4.319 . 0 0 "[ . 1]" 1
253 1 35 LEU QB 1 36 GLU H 3.500 . 5.000 3.176 2.625 3.415 . 0 0 "[ . 1]" 1
254 1 35 LEU MD1 1 61 VAL HB 4.800 . 8.000 5.436 4.916 6.550 . 0 0 "[ . 1]" 1
255 1 35 LEU MD2 1 36 GLU H 3.500 . 5.000 3.546 3.252 4.133 . 0 0 "[ . 1]" 1
256 1 35 LEU MD2 1 61 VAL HA 3.800 . 5.000 4.462 4.362 4.495 . 0 0 "[ . 1]" 1
257 1 35 LEU MD2 1 61 VAL MG1 3.800 . 5.000 2.354 1.929 3.577 . 0 0 "[ . 1]" 1
258 1 35 LEU MD2 1 63 LEU HA 3.800 . 5.000 2.581 2.168 3.471 . 0 0 "[ . 1]" 1
259 1 35 LEU MD2 1 81 VAL MG2 3.800 . 5.000 4.233 3.788 4.457 . 0 0 "[ . 1]" 1
260 1 35 LEU MD2 2 10 LEU QD 3.800 . 6.000 5.252 4.946 5.362 . 0 0 "[ . 1]" 1
261 1 36 GLU H 1 36 GLU QB 3.500 . 5.000 2.563 2.440 2.734 . 0 0 "[ . 1]" 1
262 1 36 GLU H 1 61 VAL HA 3.500 . 5.000 4.661 4.207 5.016 0.016 10 0 "[ . 1]" 1
263 1 36 GLU H 1 62 THR HA 3.500 . 5.000 4.521 4.269 4.722 . 0 0 "[ . 1]" 1
264 1 36 GLU H 1 62 THR HB 3.500 . 5.000 2.729 2.005 3.181 . 0 0 "[ . 1]" 1
265 1 36 GLU H 2 5 LYS HA 4.500 . 7.000 7.009 6.968 7.038 0.038 2 0 "[ . 1]" 1
266 1 36 GLU HA 1 37 LYS H 3.500 . 5.000 2.227 2.150 2.335 . 0 0 "[ . 1]" 1
267 1 36 GLU HA 1 37 LYS HA 3.800 . 5.000 4.483 4.419 4.564 . 0 0 "[ . 1]" 1
268 1 36 GLU HA 1 41 LYS HA 3.800 . 5.000 2.671 2.526 2.978 . 0 0 "[ . 1]" 1
269 1 36 GLU HA 1 62 THR HB 3.800 . 5.000 4.550 4.107 4.752 . 0 0 "[ . 1]" 1
270 1 36 GLU QB 1 37 LYS H 3.500 . 5.000 3.543 3.369 3.735 . 0 0 "[ . 1]" 1
271 1 36 GLU QB 1 37 LYS HA 3.800 . 5.000 4.310 4.150 4.462 . 0 0 "[ . 1]" 1
272 1 36 GLU QB 1 41 LYS HA 3.800 . 5.000 4.322 3.984 4.464 . 0 0 "[ . 1]" 1
273 1 36 GLU QB 1 41 LYS QB 3.800 . 5.000 3.806 2.799 4.459 . 0 0 "[ . 1]" 1
274 1 36 GLU QB 1 64 ILE MD 3.800 . 5.000 3.021 2.551 3.772 . 0 0 "[ . 1]" 1
275 1 36 GLU QG 1 41 LYS QB 3.800 . 5.000 2.870 2.275 3.925 . 0 0 "[ . 1]" 1
276 1 37 LYS HA 1 37 LYS QG 3.800 . 5.000 3.092 2.370 3.301 . 0 0 "[ . 1]" 1
277 1 37 LYS HA 1 38 ASP H 3.500 . 5.000 2.188 2.146 2.260 . 0 0 "[ . 1]" 1
278 1 37 LYS HA 1 38 ASP QB 3.800 . 5.000 4.257 3.994 4.440 . 0 0 "[ . 1]" 1
279 1 37 LYS HA 1 39 GLY H 3.500 . 5.000 3.642 3.450 3.969 . 0 0 "[ . 1]" 1
280 1 37 LYS HA 1 40 LYS H 4.500 . 6.000 4.809 4.589 4.990 . 0 0 "[ . 1]" 1
281 1 37 LYS HA 1 62 THR H 3.500 . 5.000 3.861 3.483 4.241 . 0 0 "[ . 1]" 1
282 1 37 LYS QB 1 40 LYS QB 3.800 . 6.000 4.270 2.914 4.963 . 0 0 "[ . 1]" 1
283 1 37 LYS QB 1 61 VAL HA 3.800 . 5.000 2.525 2.292 2.985 . 0 0 "[ . 1]" 1
284 1 37 LYS QB 1 61 VAL HB 3.800 . 5.000 4.033 3.394 4.465 . 0 0 "[ . 1]" 1
285 1 38 ASP HA 1 39 GLY H 3.500 . 5.000 2.919 2.761 3.058 . 0 0 "[ . 1]" 1
286 1 40 LYS H 1 40 LYS QB 3.500 . 5.000 2.484 2.285 2.722 . 0 0 "[ . 1]" 1
287 1 40 LYS HA 1 40 LYS QG 3.800 . 5.000 2.482 2.261 3.057 . 0 0 "[ . 1]" 1
288 1 40 LYS HA 1 41 LYS H 3.500 . 5.000 2.248 2.151 2.352 . 0 0 "[ . 1]" 1
289 1 40 LYS QB 1 41 LYS H 3.500 . 5.000 3.014 2.593 3.596 . 0 0 "[ . 1]" 1
290 1 40 LYS QB 1 53 LEU QD 3.800 . 5.000 2.948 2.059 4.294 . 0 0 "[ . 1]" 1
291 1 41 LYS H 1 41 LYS QB 3.500 . 5.000 2.752 2.354 3.130 . 0 0 "[ . 1]" 1
292 1 41 LYS HA 1 42 VAL HA 3.800 . 5.000 4.432 4.389 4.503 . 0 0 "[ . 1]" 1
293 1 41 LYS QB 1 41 LYS QE 3.800 . 5.000 3.279 2.178 3.678 . 0 0 "[ . 1]" 1
294 1 41 LYS QB 1 42 VAL HA 3.800 . 5.000 4.448 4.369 4.497 . 0 0 "[ . 1]" 1
295 1 41 LYS QG 1 42 VAL H 3.500 . 5.000 2.424 1.671 3.416 0.129 5 0 "[ . 1]" 1
296 1 41 LYS QG 1 42 VAL HA 3.800 . 5.000 3.951 3.481 4.378 . 0 0 "[ . 1]" 1
297 1 42 VAL HA 1 43 ASN H 3.500 . 5.000 2.485 2.354 2.587 . 0 0 "[ . 1]" 1
298 1 42 VAL HA 1 43 ASN QB 3.800 . 5.000 4.416 4.322 4.494 . 0 0 "[ . 1]" 1
299 1 42 VAL HA 1 49 GLY QA 3.800 . 5.000 4.173 3.725 4.462 . 0 0 "[ . 1]" 1
300 1 42 VAL HB 1 43 ASN H 3.500 . 5.000 2.265 2.046 2.554 . 0 0 "[ . 1]" 1
301 1 42 VAL HB 1 43 ASN QB 3.800 . 5.000 3.688 3.562 3.925 . 0 0 "[ . 1]" 1
302 1 42 VAL HB 1 45 LYS HA 3.800 . 6.000 5.980 5.766 6.034 0.034 7 0 "[ . 1]" 1
303 1 42 VAL HB 1 50 LEU H 3.500 . 5.000 4.676 4.151 5.000 . 0 0 "[ . 1]" 1
304 1 42 VAL MG2 1 44 ALA MB 3.800 . 5.000 4.325 4.124 4.493 . 0 0 "[ . 1]" 1
305 1 43 ASN H 1 46 SER QB 3.500 . 5.000 4.225 3.942 4.467 . 0 0 "[ . 1]" 1
306 1 43 ASN HA 1 44 ALA H 3.500 . 5.000 3.495 2.837 3.575 . 0 0 "[ . 1]" 1
307 1 43 ASN HA 1 44 ALA HA 3.800 . 5.000 4.876 4.803 4.955 . 0 0 "[ . 1]" 1
308 1 43 ASN QB 1 45 LYS H 3.500 . 5.000 3.150 2.513 4.411 . 0 0 "[ . 1]" 1
309 1 43 ASN QB 1 46 SER QB 3.800 . 5.000 2.450 2.022 2.729 . 0 0 "[ . 1]" 1
310 1 45 LYS QB 1 46 SER H 3.500 . 5.000 3.921 3.665 4.035 . 0 0 "[ . 1]" 1
311 1 46 SER H 1 46 SER QB 3.500 . 5.000 2.509 2.256 2.814 . 0 0 "[ . 1]" 1
312 1 46 SER HA 1 47 ILE HB 3.800 . 5.000 4.796 4.403 4.983 . 0 0 "[ . 1]" 1
313 1 46 SER HA 1 50 LEU H 3.500 . 6.000 5.680 5.283 5.982 . 0 0 "[ . 1]" 1
314 1 46 SER QB 1 49 GLY H 3.500 . 5.000 2.726 2.290 3.115 . 0 0 "[ . 1]" 1
315 1 47 ILE HA 1 48 MET H 3.500 . 5.000 3.556 3.521 3.574 . 0 0 "[ . 1]" 1
316 1 47 ILE HB 1 48 MET H 3.500 . 5.000 2.559 2.190 3.737 . 0 0 "[ . 1]" 1
317 1 47 ILE MG 1 48 MET H 3.500 . 5.000 3.377 1.761 3.719 0.039 4 0 "[ . 1]" 1
318 1 50 LEU H 1 50 LEU QB 3.500 . 5.000 2.495 2.223 2.685 . 0 0 "[ . 1]" 1
319 1 50 LEU HA 1 53 LEU H 3.500 . 5.000 3.559 3.262 4.020 . 0 0 "[ . 1]" 1
320 1 51 MET H 1 51 MET QB 3.500 . 5.000 2.260 2.168 2.434 . 0 0 "[ . 1]" 1
321 1 51 MET HA 1 51 MET QG 3.800 . 5.000 2.410 2.265 2.718 . 0 0 "[ . 1]" 1
322 1 51 MET HA 1 52 SER H 3.500 . 5.000 3.491 3.415 3.565 . 0 0 "[ . 1]" 1
323 1 51 MET HA 1 52 SER HA 3.800 . 5.000 4.823 4.741 4.922 . 0 0 "[ . 1]" 1
324 1 51 MET HA 1 53 LEU H 3.500 . 5.000 4.547 3.914 4.992 . 0 0 "[ . 1]" 1
325 1 51 MET QB 1 51 MET ME 3.800 . 5.000 3.318 2.353 3.683 . 0 0 "[ . 1]" 1
326 1 52 SER H 1 52 SER QB 3.500 . 5.000 2.352 2.233 2.613 . 0 0 "[ . 1]" 1
327 1 53 LEU H 1 53 LEU QB 3.500 . 5.000 2.624 2.256 3.352 . 0 0 "[ . 1]" 1
328 1 53 LEU HA 1 53 LEU QD 3.800 . 5.000 2.282 2.083 3.232 . 0 0 "[ . 1]" 1
329 1 54 ALA HA 1 55 VAL H 3.500 . 5.000 2.470 2.159 2.855 . 0 0 "[ . 1]" 1
330 1 55 VAL H 1 56 SER HA 3.500 . 5.000 4.814 4.638 5.016 0.016 3 0 "[ . 1]" 1
331 1 55 VAL HA 1 56 SER H 3.500 . 5.000 2.626 2.360 2.957 . 0 0 "[ . 1]" 1
332 1 55 VAL HA 1 56 SER HA 3.800 . 5.000 4.555 4.444 4.639 . 0 0 "[ . 1]" 1
333 1 55 VAL HB 1 56 SER H 3.500 . 5.000 2.381 1.787 3.836 0.013 10 0 "[ . 1]" 1
334 1 55 VAL MG2 1 56 SER H 3.500 . 5.000 2.587 1.742 3.724 0.058 5 0 "[ . 1]" 1
335 1 56 SER H 1 56 SER QB 3.500 . 5.000 2.860 2.421 3.295 . 0 0 "[ . 1]" 1
336 1 56 SER H 1 59 THR HA 3.500 . 5.000 4.983 4.936 5.015 0.015 4 0 "[ . 1]" 1
337 1 56 SER HA 1 57 THR H 3.500 . 5.000 2.421 2.266 2.564 . 0 0 "[ . 1]" 1
338 1 57 THR H 1 57 THR MG 3.500 . 5.000 2.563 1.737 3.761 0.063 3 0 "[ . 1]" 1
339 1 57 THR H 2 12 THR MG 4.500 . 8.000 3.926 3.105 4.980 . 0 0 "[ . 1]" 1
340 1 57 THR HA 1 58 GLY H 3.500 . 5.000 2.166 2.145 2.259 . 0 0 "[ . 1]" 1
341 1 58 GLY H 2 8 VAL HB 4.500 . 7.000 4.840 4.268 5.288 . 0 0 "[ . 1]" 1
342 1 58 GLY H 2 8 VAL MG1 3.500 . 6.000 4.805 4.258 5.159 . 0 0 "[ . 1]" 1
343 1 58 GLY H 2 9 ARG HA 3.500 . 5.000 4.728 3.907 4.978 . 0 0 "[ . 1]" 1
344 1 59 THR H 2 8 VAL HB 3.500 . 5.000 4.252 3.753 4.737 . 0 0 "[ . 1]" 1
345 1 59 THR HB 1 60 GLU H 3.500 . 5.000 3.133 2.169 4.014 . 0 0 "[ . 1]" 1
346 1 60 GLU H 1 60 GLU QB 3.500 . 5.000 3.020 2.787 3.220 . 0 0 "[ . 1]" 1
347 1 60 GLU H 1 60 GLU QG 3.500 . 5.000 2.209 1.747 2.747 0.053 10 0 "[ . 1]" 1
348 1 60 GLU HA 2 7 GLU HB2 3.800 . 5.000 4.749 4.091 5.008 0.008 2 0 "[ . 1]" 1
349 1 60 GLU HA 2 7 GLU QG 3.800 . 5.000 3.332 2.561 3.929 . 0 0 "[ . 1]" 1
350 1 60 GLU HA 2 8 VAL H 3.500 . 5.000 1.885 1.788 2.112 0.012 4 0 "[ . 1]" 1
351 1 60 GLU QB 1 61 VAL H 3.500 . 5.000 2.435 2.260 2.580 . 0 0 "[ . 1]" 1
352 1 60 GLU QB 1 61 VAL HA 3.800 . 5.000 4.130 3.928 4.259 . 0 0 "[ . 1]" 1
353 1 60 GLU QB 2 6 VAL H 3.500 . 5.000 4.453 4.318 4.498 . 0 0 "[ . 1]" 1
354 1 61 VAL H 2 5 LYS QG 3.500 . 5.000 4.340 4.141 4.470 . 0 0 "[ . 1]" 1
355 1 61 VAL H 2 6 VAL MG1 4.500 . 8.000 5.788 5.739 5.878 . 0 0 "[ . 1]" 1
356 1 61 VAL H 2 6 VAL MG2 3.500 . 6.500 3.434 3.268 3.649 . 0 0 "[ . 1]" 1
357 1 61 VAL H 2 7 GLU HA 3.500 . 5.000 2.809 2.559 3.027 . 0 0 "[ . 1]" 1
358 1 61 VAL H 2 8 VAL MG2 3.500 . 5.000 2.621 2.434 2.985 . 0 0 "[ . 1]" 1
359 1 61 VAL HA 1 62 THR H 3.500 . 5.000 2.176 2.140 2.228 . 0 0 "[ . 1]" 1
360 1 61 VAL HA 1 62 THR HA 3.800 . 5.000 4.386 4.363 4.418 . 0 0 "[ . 1]" 1
361 1 61 VAL HB 1 62 THR H 3.500 . 5.000 4.323 4.207 4.436 . 0 0 "[ . 1]" 1
362 1 61 VAL HB 2 8 VAL H 3.500 . 5.000 4.788 4.376 5.005 0.005 3 0 "[ . 1]" 1
363 1 61 VAL HB 2 8 VAL MG2 3.800 . 5.000 2.130 2.021 2.351 . 0 0 "[ . 1]" 1
364 1 61 VAL MG1 2 6 VAL H 4.500 . 7.000 4.051 3.802 4.384 . 0 0 "[ . 1]" 1
365 1 61 VAL MG1 2 8 VAL MG2 3.800 . 5.000 2.216 2.066 2.382 . 0 0 "[ . 1]" 1
366 1 62 THR H 1 62 THR HB 3.500 . 5.000 2.629 2.504 2.803 . 0 0 "[ . 1]" 1
367 1 62 THR HA 1 63 LEU H 3.500 . 5.000 2.189 2.140 2.255 . 0 0 "[ . 1]" 1
368 1 62 THR HA 1 63 LEU QB 3.800 . 5.000 4.207 3.972 4.496 . 0 0 "[ . 1]" 1
369 1 63 LEU H 1 63 LEU QB 3.500 . 5.000 2.381 2.224 2.748 . 0 0 "[ . 1]" 1
370 1 63 LEU H 1 63 LEU QD 3.500 . 5.000 3.554 2.793 3.914 . 0 0 "[ . 1]" 1
371 1 63 LEU HA 1 63 LEU QD 3.800 . 5.000 2.617 2.043 3.421 . 0 0 "[ . 1]" 1
372 1 63 LEU QD 1 64 ILE H 3.500 . 5.000 2.590 1.755 3.364 0.045 7 0 "[ . 1]" 1
373 1 63 LEU QD 1 65 ALA H 3.500 . 5.000 3.739 2.964 4.373 . 0 0 "[ . 1]" 1
374 1 63 LEU QD 1 77 LEU QD 3.800 . 5.000 2.038 1.726 2.524 0.074 10 0 "[ . 1]" 1
375 1 63 LEU QD 1 78 ALA HA 3.800 . 5.000 4.357 3.401 4.475 . 0 0 "[ . 1]" 1
376 1 63 LEU QD 1 81 VAL MG2 3.800 . 5.000 3.435 3.024 3.798 . 0 0 "[ . 1]" 1
377 1 64 ILE H 1 64 ILE HB 3.500 . 5.000 2.781 2.587 2.936 . 0 0 "[ . 1]" 1
378 1 64 ILE H 1 65 ALA HA 3.500 . 5.000 4.967 4.825 5.033 0.033 10 0 "[ . 1]" 1
379 1 64 ILE HA 1 65 ALA H 3.500 . 5.000 2.135 2.125 2.149 . 0 0 "[ . 1]" 1
380 1 64 ILE HA 2 3 GLN HA 3.800 . 5.000 3.535 2.428 5.015 0.015 7 0 "[ . 1]" 1
381 1 64 ILE HB 1 65 ALA H 3.500 . 5.000 4.191 3.917 4.398 . 0 0 "[ . 1]" 1
382 1 64 ILE HB 1 65 ALA HA 3.800 . 5.000 4.681 4.453 4.934 . 0 0 "[ . 1]" 1
383 1 65 ALA H 2 3 GLN HA 3.500 . 5.000 2.981 2.444 4.025 . 0 0 "[ . 1]" 1
384 1 65 ALA HA 1 66 GLN H 3.500 . 5.000 2.161 2.153 2.169 . 0 0 "[ . 1]" 1
385 1 65 ALA MB 1 70 GLU QB 3.800 . 5.000 2.280 1.911 2.864 . 0 0 "[ . 1]" 1
386 1 65 ALA MB 1 72 GLU QB 3.800 . 6.000 5.410 5.375 5.467 . 0 0 "[ . 1]" 1
387 1 65 ALA MB 2 2 VAL H 3.500 . 5.000 4.463 4.368 4.558 . 0 0 "[ . 1]" 1
388 1 66 GLN H 1 66 GLN QB 3.500 . 5.000 2.860 2.418 3.118 . 0 0 "[ . 1]" 1
389 1 66 GLN H 1 66 GLN QG 3.500 . 5.000 2.373 1.783 3.985 0.017 8 0 "[ . 1]" 1
390 1 66 GLN H 1 67 GLY QA 3.500 . 5.000 4.534 4.466 4.579 . 0 0 "[ . 1]" 1
391 1 66 GLN H 1 70 GLU QB 3.500 . 5.000 4.292 3.812 4.471 . 0 0 "[ . 1]" 1
392 1 66 GLN HA 1 67 GLY H 3.500 . 5.000 2.168 2.122 2.207 . 0 0 "[ . 1]" 1
393 1 66 GLN HA 1 70 GLU QG 3.800 . 5.000 4.437 4.106 4.534 . 0 0 "[ . 1]" 1
394 1 66 GLN HA 2 2 VAL H 3.500 . 5.000 2.067 1.736 2.892 0.064 3 0 "[ . 1]" 1
395 1 66 GLN QB 2 2 VAL H 3.500 . 5.000 3.650 3.024 4.369 . 0 0 "[ . 1]" 1
396 1 66 GLN QG 1 67 GLY H 3.500 . 5.000 4.083 2.204 4.457 . 0 0 "[ . 1]" 1
397 1 67 GLY H 1 70 GLU QB 3.500 . 5.000 3.317 2.936 3.680 . 0 0 "[ . 1]" 1
398 1 67 GLY H 2 1 MET HA 3.500 . 5.000 2.149 1.769 3.331 0.031 7 0 "[ . 1]" 1
399 1 67 GLY H 2 2 VAL HA 3.500 . 5.000 5.144 5.087 5.245 0.245 9 0 "[ . 1]" 1
400 1 67 GLY QA 1 68 GLU H 3.500 . 5.000 2.235 2.157 2.283 . 0 0 "[ . 1]" 1
401 1 67 GLY QA 1 68 GLU HA 3.800 . 5.000 3.974 3.959 4.039 . 0 0 "[ . 1]" 1
402 1 67 GLY QA 1 70 GLU QB 3.800 . 5.000 3.875 3.050 4.483 . 0 0 "[ . 1]" 1
403 1 68 GLU H 1 68 GLU QB 3.500 . 5.000 2.465 2.272 2.744 . 0 0 "[ . 1]" 1
404 1 68 GLU HA 1 69 ASP H 3.500 . 5.000 3.334 2.438 3.567 . 0 0 "[ . 1]" 1
405 1 68 GLU HA 1 69 ASP HA 3.800 . 5.000 4.640 4.300 4.796 . 0 0 "[ . 1]" 1
406 1 68 GLU HA 1 70 GLU H 3.500 . 5.000 3.833 3.334 5.214 0.214 3 0 "[ . 1]" 1
407 1 68 GLU HA 1 70 GLU QG 3.800 . 5.000 3.416 2.649 4.477 . 0 0 "[ . 1]" 1
408 1 68 GLU QB 1 69 ASP QB 3.800 . 5.000 4.237 4.021 4.370 . 0 0 "[ . 1]" 1
409 1 69 ASP H 1 70 GLU HA 3.500 . 5.000 4.819 4.105 5.043 0.043 6 0 "[ . 1]" 1
410 1 69 ASP H 1 70 GLU QG 3.500 . 5.000 3.814 2.109 4.459 . 0 0 "[ . 1]" 1
411 1 69 ASP QB 1 72 GLU H 3.500 . 5.000 4.432 4.330 4.512 . 0 0 "[ . 1]" 1
412 1 70 GLU H 1 70 GLU QB 3.500 . 5.000 2.611 2.393 2.927 . 0 0 "[ . 1]" 1
413 1 70 GLU H 1 70 GLU QG 3.500 . 5.000 2.105 1.768 3.357 0.032 6 0 "[ . 1]" 1
414 1 70 GLU HA 1 71 GLN H 3.500 . 5.000 3.167 2.865 3.321 . 0 0 "[ . 1]" 1
415 1 70 GLU QB 1 73 ALA MB 3.800 . 5.000 2.807 2.590 3.112 . 0 0 "[ . 1]" 1
416 1 70 GLU QB 2 2 VAL H 3.500 . 5.000 3.778 2.211 4.483 . 0 0 "[ . 1]" 1
417 1 70 GLU QG 1 71 GLN HA 3.800 . 5.000 4.135 3.554 4.397 . 0 0 "[ . 1]" 1
418 1 70 GLU QG 1 71 GLN QB 3.800 . 5.000 4.391 4.126 4.561 . 0 0 "[ . 1]" 1
419 1 71 GLN H 1 71 GLN QB 3.500 . 5.000 2.236 2.219 2.251 . 0 0 "[ . 1]" 1
420 1 71 GLN HA 1 74 LEU H 3.500 . 5.000 3.647 3.292 3.856 . 0 0 "[ . 1]" 1
421 1 71 GLN QB 1 72 GLU H 3.500 . 5.000 2.428 2.302 2.786 . 0 0 "[ . 1]" 1
422 1 71 GLN QB 1 72 GLU QB 3.800 . 5.000 4.406 3.846 4.508 . 0 0 "[ . 1]" 1
423 1 71 GLN QG 1 72 GLU H 3.500 . 5.000 3.125 2.960 3.456 . 0 0 "[ . 1]" 1
424 1 71 GLN QG 1 72 GLU QB 3.800 . 5.000 4.475 4.388 4.511 . 0 0 "[ . 1]" 1
425 1 71 GLN QG 1 75 GLU QB 3.800 . 5.000 2.117 1.934 2.354 . 0 0 "[ . 1]" 1
426 1 71 GLN QG 1 75 GLU QG 3.800 . 5.000 3.466 3.003 3.775 . 0 0 "[ . 1]" 1
427 1 72 GLU H 1 72 GLU QB 3.500 . 5.000 2.448 2.105 2.632 . 0 0 "[ . 1]" 1
428 1 72 GLU H 1 72 GLU QG 3.500 . 5.000 2.387 1.792 4.024 0.008 3 0 "[ . 1]" 1
429 1 72 GLU HA 1 75 GLU QB 3.800 . 5.000 2.585 2.400 2.903 . 0 0 "[ . 1]" 1
430 1 72 GLU HA 1 76 LYS H 3.500 . 5.000 2.317 2.077 2.665 . 0 0 "[ . 1]" 1
431 1 72 GLU QB 1 73 ALA H 3.500 . 5.000 2.851 2.483 3.395 . 0 0 "[ . 1]" 1
432 1 72 GLU QB 1 73 ALA HA 3.800 . 5.000 4.021 3.836 4.510 . 0 0 "[ . 1]" 1
433 1 72 GLU QB 1 73 ALA MB 3.800 . 5.000 4.048 3.836 4.542 . 0 0 "[ . 1]" 1
434 1 72 GLU QB 1 75 GLU QB 3.800 . 5.000 4.457 4.322 4.522 . 0 0 "[ . 1]" 1
435 1 72 GLU QB 1 76 LYS H 3.500 . 5.000 3.913 3.743 4.154 . 0 0 "[ . 1]" 1
436 1 72 GLU QB 1 76 LYS QB 3.800 . 5.000 2.859 2.515 3.196 . 0 0 "[ . 1]" 1
437 1 72 GLU QB 1 76 LYS QE 3.800 . 5.000 4.082 3.349 4.470 . 0 0 "[ . 1]" 1
438 1 72 GLU QB 1 76 LYS QG 3.800 . 5.000 4.230 3.652 4.520 . 0 0 "[ . 1]" 1
439 1 72 GLU QB 1 77 LEU H 3.500 . 5.000 3.992 3.619 4.386 . 0 0 "[ . 1]" 1
440 1 72 GLU QB 1 77 LEU QB 3.800 . 6.000 4.744 4.378 5.303 . 0 0 "[ . 1]" 1
441 1 72 GLU QB 1 77 LEU QD 3.800 . 5.000 3.530 2.877 4.482 . 0 0 "[ . 1]" 1
442 1 73 ALA MB 1 74 LEU H 3.500 . 5.000 2.263 2.197 2.443 . 0 0 "[ . 1]" 1
443 1 74 LEU H 1 74 LEU QB 3.500 . 5.000 2.439 2.219 2.724 . 0 0 "[ . 1]" 1
444 1 74 LEU H 1 75 GLU QB 3.500 . 5.000 4.196 4.141 4.273 . 0 0 "[ . 1]" 1
445 1 74 LEU HA 1 74 LEU QD 3.800 . 5.000 2.225 1.932 2.441 . 0 0 "[ . 1]" 1
446 1 74 LEU HA 1 75 GLU H 3.500 . 5.000 3.532 3.505 3.555 . 0 0 "[ . 1]" 1
447 1 74 LEU QB 1 75 GLU H 3.500 . 5.000 2.580 2.374 2.763 . 0 0 "[ . 1]" 1
448 1 74 LEU MD2 2 2 VAL HB 3.800 . 5.000 4.125 3.356 4.471 . 0 0 "[ . 1]" 1
449 1 75 GLU QB 1 76 LYS H 3.500 . 5.000 2.053 1.961 2.332 . 0 0 "[ . 1]" 1
450 1 75 GLU QB 1 76 LYS QB 3.800 . 5.000 3.383 3.281 3.546 . 0 0 "[ . 1]" 1
451 1 76 LYS H 1 76 LYS QB 3.500 . 5.000 2.209 2.153 2.262 . 0 0 "[ . 1]" 1
452 1 76 LYS HA 1 76 LYS QD 3.800 . 5.000 2.605 2.138 4.038 . 0 0 "[ . 1]" 1
453 1 76 LYS HA 1 76 LYS QG 3.800 . 5.000 2.357 2.168 2.477 . 0 0 "[ . 1]" 1
454 1 76 LYS HA 1 77 LEU H 3.500 . 5.000 3.582 3.574 3.587 . 0 0 "[ . 1]" 1
455 1 76 LYS HA 1 77 LEU HA 3.800 . 5.000 4.791 4.765 4.801 . 0 0 "[ . 1]" 1
456 1 76 LYS QB 1 76 LYS QE 3.800 . 5.000 2.351 2.223 3.419 . 0 0 "[ . 1]" 1
457 1 76 LYS QB 1 77 LEU H 3.500 . 5.000 2.031 1.944 2.097 . 0 0 "[ . 1]" 1
458 1 76 LYS QB 1 77 LEU HA 3.800 . 5.000 3.790 3.699 3.964 . 0 0 "[ . 1]" 1
459 1 76 LYS QG 1 77 LEU HA 3.800 . 5.000 3.953 3.414 4.263 . 0 0 "[ . 1]" 1
460 1 77 LEU H 1 77 LEU QB 3.500 . 5.000 2.230 2.073 2.301 . 0 0 "[ . 1]" 1
461 1 77 LEU HA 1 77 LEU QD 3.800 . 5.000 2.257 2.215 2.423 . 0 0 "[ . 1]" 1
462 1 77 LEU HA 1 78 ALA H 3.500 . 5.000 3.564 3.491 3.593 . 0 0 "[ . 1]" 1
463 1 77 LEU HA 1 78 ALA HA 3.800 . 5.000 4.788 4.748 4.812 . 0 0 "[ . 1]" 1
464 1 77 LEU HA 1 79 ALA H 3.500 . 5.000 4.391 4.064 4.757 . 0 0 "[ . 1]" 1
465 1 77 LEU HA 1 80 TYR H 3.500 . 5.000 3.354 3.113 3.555 . 0 0 "[ . 1]" 1
466 1 77 LEU HA 1 80 TYR QB 3.800 . 5.000 2.504 2.360 2.647 . 0 0 "[ . 1]" 1
467 1 77 LEU HA 1 81 VAL H 3.500 . 6.000 3.547 3.326 3.722 . 0 0 "[ . 1]" 1
468 1 77 LEU QB 1 80 TYR QB 3.800 . 5.000 4.319 4.001 4.461 . 0 0 "[ . 1]" 1
469 1 77 LEU QB 1 81 VAL H 3.500 . 5.000 4.437 4.382 4.576 . 0 0 "[ . 1]" 1
470 1 77 LEU QD 1 81 VAL MG2 3.800 . 5.000 2.894 2.325 3.832 . 0 0 "[ . 1]" 1
471 1 78 ALA H 1 79 ALA MB 3.500 . 5.000 4.395 4.317 4.461 . 0 0 "[ . 1]" 1
472 1 78 ALA HA 1 79 ALA H 3.500 . 5.000 3.539 3.498 3.566 . 0 0 "[ . 1]" 1
473 1 78 ALA HA 1 80 TYR H 3.500 . 5.000 4.486 4.258 4.898 . 0 0 "[ . 1]" 1
474 1 78 ALA HA 1 81 VAL HB 3.800 . 5.000 2.840 2.536 3.141 . 0 0 "[ . 1]" 1
475 1 78 ALA HA 1 82 GLN H 3.500 . 5.000 4.323 3.808 4.573 . 0 0 "[ . 1]" 1
476 1 78 ALA MB 1 79 ALA H 3.500 . 5.000 2.560 2.327 2.807 . 0 0 "[ . 1]" 1
477 1 78 ALA MB 1 79 ALA MB 3.800 . 5.000 3.637 3.461 3.755 . 0 0 "[ . 1]" 1
478 1 79 ALA H 1 80 TYR QB 3.500 . 5.000 4.328 4.211 4.441 . 0 0 "[ . 1]" 1
479 1 79 ALA HA 1 80 TYR H 3.500 . 5.000 3.531 3.505 3.571 . 0 0 "[ . 1]" 1
480 1 79 ALA HA 1 81 VAL H 3.500 . 5.000 4.634 4.408 4.913 . 0 0 "[ . 1]" 1
481 1 79 ALA MB 1 80 TYR H 3.500 . 5.000 2.582 2.344 2.705 . 0 0 "[ . 1]" 1
482 1 80 TYR H 1 80 TYR QB 3.500 . 5.000 2.244 2.197 2.281 . 0 0 "[ . 1]" 1
483 1 80 TYR HA 1 81 VAL HA 3.800 . 5.000 4.775 4.719 4.833 . 0 0 "[ . 1]" 1
484 1 80 TYR HA 1 83 GLU H 3.500 . 5.000 3.985 3.320 5.008 0.008 9 0 "[ . 1]" 1
485 1 80 TYR HA 1 84 GLU H 3.500 . 5.000 4.428 3.152 5.004 0.004 10 0 "[ . 1]" 1
486 1 80 TYR QB 1 81 VAL H 3.500 . 5.000 2.476 2.240 2.697 . 0 0 "[ . 1]" 1
487 1 80 TYR QB 1 82 GLN H 3.500 . 5.000 4.386 4.196 4.466 . 0 0 "[ . 1]" 1
488 1 81 VAL H 1 82 GLN QB 3.500 . 5.000 4.403 4.218 4.506 . 0 0 "[ . 1]" 1
489 1 81 VAL HA 1 82 GLN H 3.500 . 5.000 3.440 3.384 3.518 . 0 0 "[ . 1]" 1
490 1 81 VAL HB 1 82 GLN H 3.500 . 5.000 3.094 2.778 3.280 . 0 0 "[ . 1]" 1
491 1 81 VAL HB 1 82 GLN QB 3.800 . 5.000 4.260 3.868 4.466 . 0 0 "[ . 1]" 1
492 1 82 GLN HA 1 82 GLN QG 3.800 . 5.000 2.321 2.200 2.627 . 0 0 "[ . 1]" 1
493 1 83 GLU H 2 9 ARG QB 3.500 . 5.000 3.804 2.544 4.199 . 0 0 "[ . 1]" 1
494 1 83 GLU QG 2 10 LEU H 3.500 . 5.000 4.171 3.892 4.454 . 0 0 "[ . 1]" 1
495 1 84 GLU HA 1 85 VAL HA 3.800 . 5.000 4.434 4.330 4.607 . 0 0 "[ . 1]" 1
496 1 84 GLU HA 1 85 VAL MG2 3.800 . 5.000 3.690 3.312 4.043 . 0 0 "[ . 1]" 1
497 2 2 VAL H 2 2 VAL HB 3.500 . 5.000 3.002 2.833 3.906 . 0 0 "[ . 1]" 1
498 2 2 VAL H 2 3 GLN HA 3.500 . 5.000 4.916 4.770 5.021 0.021 4 0 "[ . 1]" 1
499 2 2 VAL H 2 3 GLN QB 3.500 . 5.000 4.465 4.338 4.547 . 0 0 "[ . 1]" 1
500 2 2 VAL H 2 3 GLN QG 3.500 . 5.000 4.332 4.154 4.502 . 0 0 "[ . 1]" 1
501 2 2 VAL HA 2 3 GLN QB 3.800 . 5.000 4.407 4.363 4.474 . 0 0 "[ . 1]" 1
502 2 2 VAL HA 2 3 GLN QG 3.800 . 5.000 3.151 3.025 3.484 . 0 0 "[ . 1]" 1
503 2 2 VAL QG 2 3 GLN QG 3.800 . 5.000 3.643 3.436 4.012 . 0 0 "[ . 1]" 1
504 2 3 GLN HA 2 3 GLN QG 3.800 . 5.000 3.279 3.260 3.287 . 0 0 "[ . 1]" 1
505 2 3 GLN QG 2 4 GLN HA 3.800 . 5.000 4.249 4.068 4.389 . 0 0 "[ . 1]" 1
506 2 4 GLN HA 2 5 LYS H 3.500 . 5.000 2.259 2.154 2.443 . 0 0 "[ . 1]" 1
507 2 4 GLN QB 2 5 LYS H 3.500 . 5.000 3.102 2.385 3.743 . 0 0 "[ . 1]" 1
508 2 5 LYS H 2 5 LYS QB 3.500 . 5.000 2.270 2.219 2.335 . 0 0 "[ . 1]" 1
509 2 5 LYS H 2 5 LYS QD 3.500 . 5.000 4.455 4.340 4.506 . 0 0 "[ . 1]" 1
510 2 5 LYS HA 2 5 LYS QD 3.800 . 5.000 3.954 3.834 4.167 . 0 0 "[ . 1]" 1
511 2 5 LYS HA 2 5 LYS QE 3.800 . 5.000 4.258 3.674 4.457 . 0 0 "[ . 1]" 1
512 2 5 LYS HA 2 5 LYS QG 3.800 . 5.000 2.283 2.199 2.473 . 0 0 "[ . 1]" 1
513 2 5 LYS HA 2 6 VAL H 3.500 . 5.000 2.341 2.274 2.417 . 0 0 "[ . 1]" 1
514 2 5 LYS QB 2 6 VAL H 3.500 . 5.000 3.330 3.126 3.467 . 0 0 "[ . 1]" 1
515 2 5 LYS QG 2 6 VAL HA 3.800 . 5.000 3.656 3.218 3.884 . 0 0 "[ . 1]" 1
516 2 6 VAL H 2 6 VAL HB 3.500 . 5.000 3.868 3.807 3.917 . 0 0 "[ . 1]" 1
517 2 6 VAL H 2 6 VAL MG2 3.500 . 5.000 2.228 2.145 2.291 . 0 0 "[ . 1]" 1
518 2 6 VAL HA 2 7 GLU H 3.500 . 5.000 2.513 2.407 2.574 . 0 0 "[ . 1]" 1
519 2 6 VAL HB 2 7 GLU H 3.500 . 5.000 2.206 2.065 2.445 . 0 0 "[ . 1]" 1
520 2 6 VAL HB 2 7 GLU QB 3.800 . 5.000 4.426 4.333 4.482 . 0 0 "[ . 1]" 1
521 2 7 GLU H 2 7 GLU QB 3.500 . 5.000 2.479 2.329 2.604 . 0 0 "[ . 1]" 1
522 2 7 GLU H 2 7 GLU QG 3.500 . 5.000 3.430 2.685 4.084 . 0 0 "[ . 1]" 1
523 2 7 GLU QB 2 8 VAL H 3.500 . 5.000 3.123 2.523 3.646 . 0 0 "[ . 1]" 1
524 2 8 VAL H 2 8 VAL HB 3.500 . 5.000 2.438 2.341 2.554 . 0 0 "[ . 1]" 1
525 2 8 VAL H 2 8 VAL MG2 3.500 . 5.000 2.345 1.973 2.534 . 0 0 "[ . 1]" 1
526 2 8 VAL HA 2 9 ARG H 3.500 . 5.000 2.203 2.153 2.245 . 0 0 "[ . 1]" 1
527 2 9 ARG H 2 10 LEU HA 3.500 . 5.000 4.303 4.092 4.833 . 0 0 "[ . 1]" 1
528 2 9 ARG H 2 10 LEU QD 3.500 . 5.000 3.219 2.194 3.648 . 0 0 "[ . 1]" 1
529 2 9 ARG HA 2 10 LEU H 3.500 . 5.000 3.343 3.189 3.542 . 0 0 "[ . 1]" 1
530 2 9 ARG QB 2 10 LEU H 3.500 . 5.000 3.019 1.769 3.524 0.031 8 0 "[ . 1]" 1
531 2 10 LEU H 2 10 LEU QB 3.500 . 5.000 2.640 2.324 3.263 . 0 0 "[ . 1]" 1
532 2 10 LEU HA 2 10 LEU QD 3.800 . 5.000 2.248 2.060 2.576 . 0 0 "[ . 1]" 1
533 2 10 LEU HA 2 11 LYS H 3.500 . 5.000 2.627 2.284 3.311 . 0 0 "[ . 1]" 1
534 2 10 LEU QB 2 11 LYS H 3.500 . 5.000 2.181 1.717 2.705 0.083 8 0 "[ . 1]" 1
535 2 10 LEU QB 2 12 THR MG 3.800 . 5.000 3.881 3.391 4.264 . 0 0 "[ . 1]" 1
536 2 11 LYS H 2 11 LYS QB 3.500 . 5.000 2.555 2.421 2.968 . 0 0 "[ . 1]" 1
537 2 11 LYS HA 2 12 THR H 3.500 . 5.000 2.352 2.157 2.578 . 0 0 "[ . 1]" 1
538 2 11 LYS HA 2 12 THR MG 3.800 . 5.000 3.211 2.987 3.514 . 0 0 "[ . 1]" 1
539 2 11 LYS QB 2 12 THR H 3.500 . 5.000 2.596 2.174 3.186 . 0 0 "[ . 1]" 1
540 2 12 THR HA 2 13 GLY H 3.500 . 5.000 2.322 2.158 2.458 . 0 0 "[ . 1]" 1
541 2 12 THR HB 2 13 GLY H 3.500 . 5.000 2.776 2.382 3.403 . 0 0 "[ . 1]" 1
542 2 13 GLY QA 2 14 LEU H 3.500 . 5.000 2.270 2.182 2.296 . 0 0 "[ . 1]" 1
543 2 13 GLY QA 2 14 LEU QB 3.800 . 5.000 4.318 4.208 4.401 . 0 0 "[ . 1]" 1
544 2 13 GLY QA 2 54 ALA HA 3.800 . 5.000 4.070 3.241 4.456 . 0 0 "[ . 1]" 1
545 2 13 GLY QA 2 55 VAL H 3.500 . 5.000 3.467 2.932 4.049 . 0 0 "[ . 1]" 1
546 2 14 LEU H 2 14 LEU QB 3.500 . 5.000 2.757 2.653 2.870 . 0 0 "[ . 1]" 1
547 2 14 LEU HA 2 14 LEU QD 3.800 . 5.000 2.542 2.062 3.253 . 0 0 "[ . 1]" 1
548 2 14 LEU HA 2 15 GLN H 3.500 . 5.000 2.227 2.148 2.310 . 0 0 "[ . 1]" 1
549 2 14 LEU HA 2 15 GLN HA 3.800 . 5.000 4.361 4.332 4.416 . 0 0 "[ . 1]" 1
550 2 14 LEU HA 2 15 GLN QB 3.800 . 5.000 4.371 4.206 4.445 . 0 0 "[ . 1]" 1
551 2 14 LEU HA 2 15 GLN QG 3.800 . 5.000 3.845 3.683 4.226 . 0 0 "[ . 1]" 1
552 2 14 LEU HA 2 18 PRO QB 3.800 . 5.000 4.396 4.318 4.481 . 0 0 "[ . 1]" 1
553 2 14 LEU HA 2 18 PRO QG 3.800 . 5.000 3.476 3.197 3.818 . 0 0 "[ . 1]" 1
554 2 14 LEU QB 2 15 GLN H 3.500 . 5.000 2.960 2.672 3.417 . 0 0 "[ . 1]" 1
555 2 14 LEU QB 2 18 PRO QB 3.800 . 5.000 2.817 2.491 3.324 . 0 0 "[ . 1]" 1
556 2 14 LEU QB 2 18 PRO QG 3.800 . 5.000 2.858 2.238 3.201 . 0 0 "[ . 1]" 1
557 2 14 LEU QD 2 18 PRO QB 3.800 . 5.000 3.328 2.964 3.732 . 0 0 "[ . 1]" 1
558 2 14 LEU QD 2 18 PRO QG 3.800 . 5.000 3.774 3.309 4.315 . 0 0 "[ . 1]" 1
559 2 14 LEU QD 2 55 VAL MG2 3.800 . 5.000 2.567 1.943 3.603 . 0 0 "[ . 1]" 1
560 2 15 GLN H 2 15 GLN QG 3.500 . 5.000 2.423 2.043 2.728 . 0 0 "[ . 1]" 1
561 2 15 GLN HA 2 16 ALA MB 3.800 . 5.000 4.194 4.130 4.230 . 0 0 "[ . 1]" 1
562 2 15 GLN QB 2 16 ALA HA 3.800 . 5.000 4.184 4.169 4.215 . 0 0 "[ . 1]" 1
563 2 15 GLN QB 2 17 ARG QB 3.800 . 5.000 3.260 3.029 3.854 . 0 0 "[ . 1]" 1
564 2 15 GLN QB 2 18 PRO QB 3.800 . 5.000 4.140 3.921 4.457 . 0 0 "[ . 1]" 1
565 2 15 GLN QB 2 18 PRO QD 3.800 . 5.000 2.071 2.022 2.130 . 0 0 "[ . 1]" 1
566 2 15 GLN QB 2 18 PRO QG 3.800 . 5.000 2.457 2.223 2.784 . 0 0 "[ . 1]" 1
567 2 17 ARG H 2 17 ARG QB 3.500 . 5.000 2.157 2.052 2.873 . 0 0 "[ . 1]" 1
568 2 17 ARG QB 2 18 PRO QD 3.800 . 5.000 2.042 2.013 2.206 . 0 0 "[ . 1]" 1
569 2 17 ARG QB 2 18 PRO QG 3.800 . 5.000 3.574 3.450 3.818 . 0 0 "[ . 1]" 1
570 2 18 PRO QB 2 19 ALA H 3.500 . 5.000 2.705 2.335 3.354 . 0 0 "[ . 1]" 1
571 2 18 PRO QB 2 21 LEU QB 3.800 . 5.000 4.367 4.198 4.477 . 0 0 "[ . 1]" 1
572 2 18 PRO QG 2 19 ALA H 3.500 . 5.000 3.288 2.248 3.714 . 0 0 "[ . 1]" 1
573 2 19 ALA HA 2 20 ALA H 3.500 . 5.000 3.532 3.506 3.564 . 0 0 "[ . 1]" 1
574 2 19 ALA HA 2 22 PHE QB 4.800 . 7.000 2.566 2.374 2.735 . 0 0 "[ . 1]" 1
575 2 19 ALA MB 2 47 ILE HA 3.800 . 5.000 3.256 2.726 3.776 . 0 0 "[ . 1]" 1
576 2 20 ALA HA 2 22 PHE H 3.500 . 5.000 4.185 4.012 4.410 . 0 0 "[ . 1]" 1
577 2 20 ALA HA 2 23 VAL H 3.500 . 5.000 3.864 3.745 4.022 . 0 0 "[ . 1]" 1
578 2 20 ALA HA 2 24 GLN HG2 3.800 . 5.000 4.605 4.467 4.809 . 0 0 "[ . 1]" 1
579 2 20 ALA HA 2 47 ILE HB 3.800 . 6.000 5.257 3.738 5.868 . 0 0 "[ . 1]" 1
580 2 20 ALA MB 2 21 LEU H 3.500 . 5.000 2.504 2.336 2.678 . 0 0 "[ . 1]" 1
581 2 20 ALA MB 2 21 LEU QD 3.800 . 5.000 3.265 2.221 3.774 . 0 0 "[ . 1]" 1
582 2 21 LEU HA 2 21 LEU QD 3.800 . 5.000 2.216 1.931 2.375 . 0 0 "[ . 1]" 1
583 2 21 LEU QB 2 22 PHE QB 3.800 . 5.000 4.220 4.132 4.311 . 0 0 "[ . 1]" 1
584 2 21 LEU QB 2 25 GLU QB 3.800 . 6.000 5.341 5.201 5.397 . 0 0 "[ . 1]" 1
585 2 22 PHE HA 2 23 VAL H 3.500 . 5.000 3.561 3.546 3.577 . 0 0 "[ . 1]" 1
586 2 22 PHE QB 2 23 VAL H 3.500 . 5.000 2.411 2.103 2.540 . 0 0 "[ . 1]" 1
587 2 23 VAL H 2 23 VAL HB 3.500 . 5.000 2.353 2.315 2.493 . 0 0 "[ . 1]" 1
588 2 23 VAL H 2 23 VAL MG2 3.500 . 5.000 2.410 2.213 2.496 . 0 0 "[ . 1]" 1
589 2 23 VAL H 2 24 GLN QG 3.500 . 5.000 4.065 3.736 4.313 . 0 0 "[ . 1]" 1
590 2 23 VAL HB 2 24 GLN H 3.500 . 5.000 2.851 2.754 2.901 . 0 0 "[ . 1]" 1
591 2 23 VAL HB 2 24 GLN HA 3.800 . 5.000 4.417 4.241 4.483 . 0 0 "[ . 1]" 1
592 2 23 VAL HB 2 24 GLN QG 3.800 . 5.000 3.690 3.326 3.928 . 0 0 "[ . 1]" 1
593 2 23 VAL HB 2 47 ILE QG 3.800 . 5.000 3.638 2.958 4.470 . 0 0 "[ . 1]" 1
594 2 23 VAL MG2 2 45 LYS H 3.500 . 5.000 4.494 4.401 4.543 . 0 0 "[ . 1]" 1
595 2 23 VAL MG2 2 45 LYS HA 3.800 . 5.000 3.156 2.351 3.690 . 0 0 "[ . 1]" 1
596 2 23 VAL MG2 2 47 ILE H 3.500 . 5.000 2.972 2.559 3.566 . 0 0 "[ . 1]" 1
597 2 24 GLN H 2 24 GLN QG 3.500 . 5.000 2.181 1.933 2.387 . 0 0 "[ . 1]" 1
598 2 24 GLN HA 2 25 GLU H 3.500 . 5.000 3.541 3.477 3.568 . 0 0 "[ . 1]" 1
599 2 24 GLN HA 2 27 ASN H 3.500 . 5.000 3.412 3.279 3.560 . 0 0 "[ . 1]" 1
600 2 24 GLN HA 2 27 ASN QB 3.800 . 5.000 2.346 2.184 2.531 . 0 0 "[ . 1]" 1
601 2 25 GLU H 2 25 GLU QB 3.500 . 5.000 2.528 2.407 2.624 . 0 0 "[ . 1]" 1
602 2 25 GLU HA 2 26 ALA H 3.500 . 5.000 3.535 3.520 3.559 . 0 0 "[ . 1]" 1
603 2 25 GLU HA 2 26 ALA HA 3.800 . 5.000 4.705 4.663 4.741 . 0 0 "[ . 1]" 1
604 2 25 GLU HA 2 27 ASN H 3.500 . 5.000 3.997 3.683 4.222 . 0 0 "[ . 1]" 1
605 2 25 GLU HA 2 27 ASN QB 3.800 . 5.000 4.490 4.421 4.565 . 0 0 "[ . 1]" 1
606 2 25 GLU HA 2 28 ARG QB 3.800 . 5.000 4.244 3.602 4.478 . 0 0 "[ . 1]" 1
607 2 25 GLU HA 2 28 ARG QD 3.800 . 5.000 4.045 3.382 4.408 . 0 0 "[ . 1]" 1
608 2 25 GLU HA 2 28 ARG QG 3.800 . 5.000 4.428 4.199 4.465 . 0 0 "[ . 1]" 1
609 2 25 GLU HA 2 72 GLU QB 3.800 . 5.000 4.501 4.476 4.525 . 0 0 "[ . 1]" 1
610 2 25 GLU QB 2 26 ALA H 3.500 . 5.000 2.573 2.449 2.640 . 0 0 "[ . 1]" 1
611 2 25 GLU QB 2 26 ALA HA 3.800 . 5.000 3.918 3.870 3.955 . 0 0 "[ . 1]" 1
612 2 25 GLU QB 2 77 LEU HA 3.800 . 5.000 4.095 3.608 4.410 . 0 0 "[ . 1]" 1
613 2 25 GLU QG 2 76 LYS QG 3.800 . 5.000 2.558 2.026 3.074 . 0 0 "[ . 1]" 1
614 2 25 GLU QG 2 80 TYR QB 3.800 . 5.000 3.758 3.464 4.122 . 0 0 "[ . 1]" 1
615 2 26 ALA HA 2 27 ASN H 3.500 . 5.000 3.418 3.254 3.459 . 0 0 "[ . 1]" 1
616 2 26 ALA HA 2 27 ASN HA 3.800 . 5.000 4.893 4.763 4.923 . 0 0 "[ . 1]" 1
617 2 26 ALA HA 2 28 ARG QB 3.800 . 5.000 4.491 4.345 4.561 . 0 0 "[ . 1]" 1
618 2 26 ALA HA 2 29 PHE H 3.500 . 5.000 3.404 2.748 3.741 . 0 0 "[ . 1]" 1
619 2 26 ALA HA 2 29 PHE QB 3.800 . 5.000 3.028 2.270 3.909 . 0 0 "[ . 1]" 1
620 2 26 ALA HA 2 72 GLU QB 3.800 . 5.000 3.728 3.112 4.153 . 0 0 "[ . 1]" 1
621 2 26 ALA MB 2 45 LYS QB 3.800 . 5.000 2.587 1.974 3.338 . 0 0 "[ . 1]" 1
622 2 27 ASN H 2 27 ASN QB 3.500 . 5.000 2.223 2.169 2.259 . 0 0 "[ . 1]" 1
623 2 27 ASN HA 2 28 ARG H 3.500 . 5.000 3.459 3.444 3.478 . 0 0 "[ . 1]" 1
624 2 27 ASN HA 2 28 ARG HA 3.800 . 5.000 4.654 4.634 4.682 . 0 0 "[ . 1]" 1
625 2 27 ASN HA 2 29 PHE H 3.500 . 5.000 3.604 3.430 3.975 . 0 0 "[ . 1]" 1
626 2 27 ASN QB 2 28 ARG H 3.500 . 5.000 2.875 2.778 2.958 . 0 0 "[ . 1]" 1
627 2 27 ASN QB 2 29 PHE H 3.500 . 5.000 4.501 4.475 4.550 . 0 0 "[ . 1]" 1
628 2 28 ARG H 2 29 PHE QB 3.500 . 5.000 4.256 3.918 4.526 . 0 0 "[ . 1]" 1
629 2 28 ARG HA 2 29 PHE H 3.500 . 5.000 3.161 3.018 3.373 . 0 0 "[ . 1]" 1
630 2 28 ARG HA 2 29 PHE HA 3.800 . 5.000 4.755 4.459 4.953 . 0 0 "[ . 1]" 1
631 2 28 ARG QB 2 29 PHE H 3.500 . 5.000 3.503 3.147 3.674 . 0 0 "[ . 1]" 1
632 2 28 ARG QG 2 29 PHE H 3.500 . 5.000 4.379 4.282 4.454 . 0 0 "[ . 1]" 1
633 2 29 PHE H 2 29 PHE QB 3.500 . 5.000 2.428 2.215 2.726 . 0 0 "[ . 1]" 1
634 2 29 PHE HA 2 31 SER H 3.500 . 5.000 3.723 3.335 4.143 . 0 0 "[ . 1]" 1
635 2 29 PHE HA 2 72 GLU QB 3.800 . 5.000 4.288 3.801 4.589 . 0 0 "[ . 1]" 1
636 2 29 PHE QB 2 30 THR H 3.500 . 5.000 2.860 2.085 3.454 . 0 0 "[ . 1]" 1
637 2 29 PHE QB 2 30 THR HA 3.800 . 5.000 4.429 4.126 4.561 . 0 0 "[ . 1]" 1
638 2 29 PHE HB2 2 33 VAL MG2 3.800 . 5.000 3.565 2.338 4.484 . 0 0 "[ . 1]" 1
639 2 30 THR H 2 30 THR MG 3.500 . 5.000 3.289 1.758 4.063 0.042 8 0 "[ . 1]" 1
640 2 30 THR MG 2 31 SER H 3.500 . 5.000 3.935 2.010 4.354 . 0 0 "[ . 1]" 1
641 2 31 SER HA 2 66 GLN H 3.500 . 5.000 4.969 4.656 5.024 0.024 5 0 "[ . 1]" 1
642 2 31 SER HA 2 67 GLY QA 3.800 . 5.000 3.456 2.852 3.929 . 0 0 "[ . 1]" 1
643 2 31 SER HA 2 68 GLU H 3.500 . 5.000 4.978 4.696 5.043 0.043 6 0 "[ . 1]" 1
644 2 31 SER QB 2 65 ALA HA 3.800 . 5.000 4.060 3.630 4.428 . 0 0 "[ . 1]" 1
645 2 31 SER QB 2 66 GLN H 3.500 . 5.000 3.328 2.624 4.298 . 0 0 "[ . 1]" 1
646 2 31 SER QB 2 69 ASP H 3.500 . 5.000 3.615 3.179 4.019 . 0 0 "[ . 1]" 1
647 2 31 SER QB 2 70 GLU H 3.500 . 5.000 3.352 2.445 4.247 . 0 0 "[ . 1]" 1
648 2 32 ASP H 2 32 ASP QB 3.500 . 5.000 3.209 2.352 3.498 . 0 0 "[ . 1]" 1
649 2 32 ASP HA 2 33 VAL H 3.500 . 5.000 2.175 2.151 2.220 . 0 0 "[ . 1]" 1
650 2 32 ASP QB 2 33 VAL H 3.500 . 5.000 3.220 2.967 3.638 . 0 0 "[ . 1]" 1
651 2 32 ASP QB 2 66 GLN H 3.500 . 5.000 4.075 3.333 4.475 . 0 0 "[ . 1]" 1
652 2 33 VAL H 2 33 VAL HB 3.500 . 5.000 2.612 2.438 2.730 . 0 0 "[ . 1]" 1
653 2 33 VAL H 2 34 PHE HA 3.500 . 5.000 5.058 4.991 5.148 0.148 1 0 "[ . 1]" 1
654 2 33 VAL H 2 44 ALA MB 3.500 . 5.000 3.046 2.873 3.316 . 0 0 "[ . 1]" 1
655 2 33 VAL H 2 45 LYS QB 3.500 . 5.000 4.490 4.467 4.520 . 0 0 "[ . 1]" 1
656 2 33 VAL H 2 45 LYS QD 3.500 . 5.000 4.048 3.690 4.454 . 0 0 "[ . 1]" 1
657 2 33 VAL H 2 45 LYS QE 3.500 . 5.000 3.519 2.869 4.419 . 0 0 "[ . 1]" 1
658 2 33 VAL H 2 45 LYS QG 3.500 . 5.000 4.334 4.108 4.468 . 0 0 "[ . 1]" 1
659 2 33 VAL HA 2 34 PHE H 3.500 . 5.000 2.179 2.148 2.311 . 0 0 "[ . 1]" 1
660 2 33 VAL HA 2 65 ALA HA 3.800 . 5.000 3.327 2.749 3.767 . 0 0 "[ . 1]" 1
661 2 33 VAL HA 2 65 ALA MB 3.800 . 5.000 3.574 2.961 4.026 . 0 0 "[ . 1]" 1
662 2 33 VAL HA 2 66 GLN H 3.500 . 6.000 4.989 4.339 5.455 . 0 0 "[ . 1]" 1
663 2 33 VAL HB 2 34 PHE H 3.500 . 5.000 4.081 3.741 4.214 . 0 0 "[ . 1]" 1
664 2 33 VAL HB 2 44 ALA MB 3.800 . 5.000 3.358 2.582 3.949 . 0 0 "[ . 1]" 1
665 2 33 VAL HB 2 45 LYS QB 3.800 . 5.000 2.960 2.271 3.453 . 0 0 "[ . 1]" 1
666 2 33 VAL HB 2 45 LYS QD 3.800 . 5.000 3.572 2.823 4.103 . 0 0 "[ . 1]" 1
667 2 33 VAL HB 2 45 LYS QE 3.800 . 5.000 4.300 3.698 4.471 . 0 0 "[ . 1]" 1
668 2 33 VAL HB 2 45 LYS QG 3.800 . 5.000 4.016 3.109 4.457 . 0 0 "[ . 1]" 1
669 2 33 VAL MG1 2 63 LEU HA 3.800 . 5.000 3.978 3.643 4.361 . 0 0 "[ . 1]" 1
670 2 33 VAL MG2 2 44 ALA MB 3.800 . 5.000 4.313 4.028 4.455 . 0 0 "[ . 1]" 1
671 2 33 VAL MG2 2 73 ALA MB 3.800 . 6.000 3.424 2.757 4.103 . 0 0 "[ . 1]" 1
672 2 34 PHE H 2 34 PHE QB 3.500 . 5.000 2.623 2.475 2.822 . 0 0 "[ . 1]" 1
673 2 34 PHE H 2 35 LEU HA 3.500 . 5.000 4.724 4.587 5.062 0.062 8 0 "[ . 1]" 1
674 2 34 PHE H 2 44 ALA MB 3.500 . 5.000 4.504 4.461 4.543 . 0 0 "[ . 1]" 1
675 2 34 PHE H 2 63 LEU HA 3.500 . 5.000 4.396 3.827 4.669 . 0 0 "[ . 1]" 1
676 2 34 PHE HA 2 35 LEU H 3.500 . 5.000 2.157 2.136 2.264 . 0 0 "[ . 1]" 1
677 2 34 PHE HA 2 35 LEU HA 3.800 . 5.000 4.415 4.403 4.461 . 0 0 "[ . 1]" 1
678 2 34 PHE HA 2 35 LEU QB 3.800 . 5.000 4.330 4.149 4.427 . 0 0 "[ . 1]" 1
679 2 34 PHE HA 2 42 VAL H 3.500 . 6.000 5.199 4.864 5.776 . 0 0 "[ . 1]" 1
680 2 34 PHE HA 2 44 ALA H 3.500 . 5.000 4.812 3.907 5.008 0.008 8 0 "[ . 1]" 1
681 2 34 PHE HA 2 44 ALA MB 3.800 . 5.000 3.043 2.846 3.246 . 0 0 "[ . 1]" 1
682 2 34 PHE QB 2 35 LEU H 3.500 . 5.000 3.274 2.725 3.370 . 0 0 "[ . 1]" 1
683 2 34 PHE QB 2 35 LEU HA 3.800 . 5.000 4.315 4.039 4.422 . 0 0 "[ . 1]" 1
684 2 34 PHE QB 2 36 GLU QB 3.800 . 5.000 4.267 4.036 4.478 . 0 0 "[ . 1]" 1
685 2 34 PHE QB 2 41 LYS QD 3.800 . 5.000 3.693 2.926 4.383 . 0 0 "[ . 1]" 1
686 2 34 PHE QB 2 41 LYS QE 3.800 . 5.000 3.535 2.333 4.459 . 0 0 "[ . 1]" 1
687 2 34 PHE QB 2 41 LYS QG 3.800 . 5.000 4.045 3.576 4.471 . 0 0 "[ . 1]" 1
688 2 34 PHE QB 2 44 ALA HA 3.800 . 5.000 4.245 4.088 4.334 . 0 0 "[ . 1]" 1
689 2 34 PHE QB 2 64 ILE H 3.500 . 5.000 3.734 3.118 4.335 . 0 0 "[ . 1]" 1
690 2 34 PHE QB 2 64 ILE HB 3.800 . 5.000 2.299 2.250 2.455 . 0 0 "[ . 1]" 1
691 2 34 PHE QB 2 64 ILE MD 3.800 . 5.000 2.735 2.073 3.264 . 0 0 "[ . 1]" 1
692 2 35 LEU H 2 42 VAL HA 4.500 . 7.000 6.177 5.951 6.519 . 0 0 "[ . 1]" 1
693 2 35 LEU H 2 44 ALA MB 3.500 . 5.000 4.421 4.277 4.488 . 0 0 "[ . 1]" 1
694 2 35 LEU HA 2 35 LEU MD1 3.800 . 5.000 3.765 3.203 3.877 . 0 0 "[ . 1]" 1
695 2 35 LEU HA 2 36 GLU H 3.500 . 5.000 2.185 2.146 2.322 . 0 0 "[ . 1]" 1
696 2 35 LEU HA 2 36 GLU QB 3.800 . 5.000 4.050 3.931 4.119 . 0 0 "[ . 1]" 1
697 2 35 LEU HA 2 62 THR H 3.500 . 5.000 4.535 3.815 4.997 . 0 0 "[ . 1]" 1
698 2 35 LEU HA 2 63 LEU HA 3.800 . 5.000 2.721 2.438 3.130 . 0 0 "[ . 1]" 1
699 2 35 LEU HA 2 63 LEU QB 3.800 . 5.000 4.379 3.940 4.519 . 0 0 "[ . 1]" 1
700 2 35 LEU HA 2 64 ILE H 3.500 . 5.000 3.779 3.548 4.318 . 0 0 "[ . 1]" 1
701 2 35 LEU QB 2 36 GLU H 3.500 . 5.000 3.175 2.626 3.414 . 0 0 "[ . 1]" 1
702 2 35 LEU MD1 2 61 VAL HB 4.800 . 8.000 5.437 4.915 6.550 . 0 0 "[ . 1]" 1
703 2 35 LEU MD2 2 36 GLU H 3.500 . 5.000 3.546 3.251 4.135 . 0 0 "[ . 1]" 1
704 2 35 LEU MD2 2 61 VAL HA 3.800 . 5.000 4.462 4.362 4.494 . 0 0 "[ . 1]" 1
705 2 35 LEU MD2 2 61 VAL MG1 3.800 . 5.000 2.353 1.930 3.578 . 0 0 "[ . 1]" 1
706 2 35 LEU MD2 2 63 LEU HA 3.800 . 5.000 2.581 2.168 3.471 . 0 0 "[ . 1]" 1
707 2 35 LEU MD2 2 81 VAL MG2 3.800 . 5.000 4.233 3.788 4.458 . 0 0 "[ . 1]" 1
708 2 36 GLU H 2 36 GLU QB 3.500 . 5.000 2.564 2.440 2.735 . 0 0 "[ . 1]" 1
709 2 36 GLU H 2 61 VAL HA 3.500 . 5.000 4.662 4.205 5.019 0.019 10 0 "[ . 1]" 1
710 2 36 GLU H 2 62 THR HA 3.500 . 5.000 4.522 4.270 4.723 . 0 0 "[ . 1]" 1
711 2 36 GLU H 2 62 THR HB 3.500 . 5.000 2.728 2.002 3.178 . 0 0 "[ . 1]" 1
712 2 36 GLU HA 2 37 LYS H 3.500 . 5.000 2.227 2.150 2.335 . 0 0 "[ . 1]" 1
713 2 36 GLU HA 2 37 LYS HA 3.800 . 5.000 4.482 4.419 4.563 . 0 0 "[ . 1]" 1
714 2 36 GLU HA 2 41 LYS HA 3.800 . 5.000 2.670 2.524 2.977 . 0 0 "[ . 1]" 1
715 2 36 GLU HA 2 62 THR HB 3.800 . 5.000 4.550 4.106 4.753 . 0 0 "[ . 1]" 1
716 2 36 GLU QB 2 37 LYS H 3.500 . 5.000 3.543 3.370 3.733 . 0 0 "[ . 1]" 1
717 2 36 GLU QB 2 37 LYS HA 3.800 . 5.000 4.310 4.150 4.461 . 0 0 "[ . 1]" 1
718 2 36 GLU QB 2 41 LYS HA 3.800 . 5.000 4.321 3.981 4.463 . 0 0 "[ . 1]" 1
719 2 36 GLU QB 2 41 LYS QB 3.800 . 5.000 3.806 2.798 4.458 . 0 0 "[ . 1]" 1
720 2 36 GLU QB 2 64 ILE MD 3.800 . 5.000 3.022 2.553 3.772 . 0 0 "[ . 1]" 1
721 2 36 GLU QG 2 41 LYS QB 3.800 . 5.000 2.871 2.277 3.927 . 0 0 "[ . 1]" 1
722 2 37 LYS HA 2 37 LYS QG 3.800 . 5.000 3.092 2.371 3.302 . 0 0 "[ . 1]" 1
723 2 37 LYS HA 2 38 ASP H 3.500 . 5.000 2.188 2.145 2.260 . 0 0 "[ . 1]" 1
724 2 37 LYS HA 2 38 ASP QB 3.800 . 5.000 4.257 3.995 4.440 . 0 0 "[ . 1]" 1
725 2 37 LYS HA 2 39 GLY H 3.500 . 5.000 3.642 3.449 3.968 . 0 0 "[ . 1]" 1
726 2 37 LYS HA 2 40 LYS H 4.500 . 6.000 4.808 4.588 4.988 . 0 0 "[ . 1]" 1
727 2 37 LYS HA 2 62 THR H 3.500 . 5.000 3.861 3.480 4.243 . 0 0 "[ . 1]" 1
728 2 37 LYS QB 2 40 LYS QB 3.800 . 6.000 4.270 2.915 4.963 . 0 0 "[ . 1]" 1
729 2 37 LYS QB 2 61 VAL HA 3.800 . 5.000 2.524 2.291 2.984 . 0 0 "[ . 1]" 1
730 2 37 LYS QB 2 61 VAL HB 3.800 . 5.000 4.032 3.396 4.468 . 0 0 "[ . 1]" 1
731 2 38 ASP HA 2 39 GLY H 3.500 . 5.000 2.918 2.762 3.058 . 0 0 "[ . 1]" 1
732 2 40 LYS H 2 40 LYS QB 3.500 . 5.000 2.484 2.283 2.723 . 0 0 "[ . 1]" 1
733 2 40 LYS HA 2 40 LYS QG 3.800 . 5.000 2.482 2.261 3.058 . 0 0 "[ . 1]" 1
734 2 40 LYS HA 2 41 LYS H 3.500 . 5.000 2.248 2.151 2.353 . 0 0 "[ . 1]" 1
735 2 40 LYS QB 2 41 LYS H 3.500 . 5.000 3.013 2.595 3.594 . 0 0 "[ . 1]" 1
736 2 40 LYS QB 2 53 LEU QD 3.800 . 5.000 2.948 2.059 4.295 . 0 0 "[ . 1]" 1
737 2 41 LYS H 2 41 LYS QB 3.500 . 5.000 2.753 2.353 3.131 . 0 0 "[ . 1]" 1
738 2 41 LYS HA 2 42 VAL HA 3.800 . 5.000 4.433 4.390 4.504 . 0 0 "[ . 1]" 1
739 2 41 LYS QB 2 41 LYS QE 3.800 . 5.000 3.279 2.181 3.679 . 0 0 "[ . 1]" 1
740 2 41 LYS QB 2 42 VAL HA 3.800 . 5.000 4.447 4.367 4.498 . 0 0 "[ . 1]" 1
741 2 41 LYS QG 2 42 VAL H 3.500 . 5.000 2.424 1.669 3.417 0.131 5 0 "[ . 1]" 1
742 2 41 LYS QG 2 42 VAL HA 3.800 . 5.000 3.951 3.480 4.378 . 0 0 "[ . 1]" 1
743 2 42 VAL HA 2 43 ASN H 3.500 . 5.000 2.485 2.353 2.589 . 0 0 "[ . 1]" 1
744 2 42 VAL HA 2 43 ASN QB 3.800 . 5.000 4.416 4.324 4.495 . 0 0 "[ . 1]" 1
745 2 42 VAL HA 2 49 GLY QA 3.800 . 5.000 4.173 3.726 4.461 . 0 0 "[ . 1]" 1
746 2 42 VAL HB 2 43 ASN H 3.500 . 5.000 2.265 2.046 2.553 . 0 0 "[ . 1]" 1
747 2 42 VAL HB 2 43 ASN QB 3.800 . 5.000 3.688 3.562 3.926 . 0 0 "[ . 1]" 1
748 2 42 VAL HB 2 45 LYS HA 3.800 . 6.000 5.980 5.768 6.033 0.033 7 0 "[ . 1]" 1
749 2 42 VAL HB 2 50 LEU H 3.500 . 5.000 4.676 4.153 4.999 . 0 0 "[ . 1]" 1
750 2 42 VAL MG2 2 44 ALA MB 3.800 . 5.000 4.325 4.125 4.492 . 0 0 "[ . 1]" 1
751 2 43 ASN H 2 46 SER QB 3.500 . 5.000 4.225 3.941 4.468 . 0 0 "[ . 1]" 1
752 2 43 ASN HA 2 44 ALA H 3.500 . 5.000 3.495 2.835 3.575 . 0 0 "[ . 1]" 1
753 2 43 ASN HA 2 44 ALA HA 3.800 . 5.000 4.876 4.804 4.954 . 0 0 "[ . 1]" 1
754 2 43 ASN QB 2 45 LYS H 3.500 . 5.000 3.150 2.512 4.411 . 0 0 "[ . 1]" 1
755 2 43 ASN QB 2 46 SER QB 3.800 . 5.000 2.449 2.022 2.731 . 0 0 "[ . 1]" 1
756 2 45 LYS QB 2 46 SER H 3.500 . 5.000 3.921 3.664 4.032 . 0 0 "[ . 1]" 1
757 2 46 SER H 2 46 SER QB 3.500 . 5.000 2.509 2.257 2.814 . 0 0 "[ . 1]" 1
758 2 46 SER HA 2 47 ILE HB 3.800 . 5.000 4.796 4.402 4.983 . 0 0 "[ . 1]" 1
759 2 46 SER HA 2 50 LEU H 3.500 . 6.000 5.681 5.283 5.981 . 0 0 "[ . 1]" 1
760 2 46 SER QB 2 49 GLY H 3.500 . 5.000 2.727 2.290 3.118 . 0 0 "[ . 1]" 1
761 2 47 ILE HA 2 48 MET H 3.500 . 5.000 3.555 3.521 3.573 . 0 0 "[ . 1]" 1
762 2 47 ILE HB 2 48 MET H 3.500 . 5.000 2.559 2.190 3.740 . 0 0 "[ . 1]" 1
763 2 47 ILE MG 2 48 MET H 3.500 . 5.000 3.377 1.765 3.722 0.035 4 0 "[ . 1]" 1
764 2 50 LEU H 2 50 LEU QB 3.500 . 5.000 2.496 2.226 2.684 . 0 0 "[ . 1]" 1
765 2 50 LEU HA 2 53 LEU H 3.500 . 5.000 3.560 3.263 4.019 . 0 0 "[ . 1]" 1
766 2 51 MET H 2 51 MET QB 3.500 . 5.000 2.260 2.168 2.433 . 0 0 "[ . 1]" 1
767 2 51 MET HA 2 51 MET QG 3.800 . 5.000 2.410 2.266 2.718 . 0 0 "[ . 1]" 1
768 2 51 MET HA 2 52 SER H 3.500 . 5.000 3.491 3.415 3.565 . 0 0 "[ . 1]" 1
769 2 51 MET HA 2 52 SER HA 3.800 . 5.000 4.823 4.742 4.921 . 0 0 "[ . 1]" 1
770 2 51 MET HA 2 53 LEU H 3.500 . 5.000 4.546 3.913 4.993 . 0 0 "[ . 1]" 1
771 2 51 MET QB 2 51 MET ME 3.800 . 5.000 3.319 2.355 3.682 . 0 0 "[ . 1]" 1
772 2 52 SER H 2 52 SER QB 3.500 . 5.000 2.353 2.233 2.612 . 0 0 "[ . 1]" 1
773 2 53 LEU H 2 53 LEU QB 3.500 . 5.000 2.624 2.258 3.351 . 0 0 "[ . 1]" 1
774 2 53 LEU HA 2 53 LEU QD 3.800 . 5.000 2.282 2.083 3.231 . 0 0 "[ . 1]" 1
775 2 54 ALA HA 2 55 VAL H 3.500 . 5.000 2.470 2.159 2.856 . 0 0 "[ . 1]" 1
776 2 55 VAL H 2 56 SER HA 3.500 . 5.000 4.814 4.637 5.014 0.014 3 0 "[ . 1]" 1
777 2 55 VAL HA 2 56 SER H 3.500 . 5.000 2.626 2.361 2.956 . 0 0 "[ . 1]" 1
778 2 55 VAL HA 2 56 SER HA 3.800 . 5.000 4.555 4.443 4.640 . 0 0 "[ . 1]" 1
779 2 55 VAL HB 2 56 SER H 3.500 . 5.000 2.381 1.789 3.832 0.011 10 0 "[ . 1]" 1
780 2 55 VAL MG2 2 56 SER H 3.500 . 5.000 2.587 1.743 3.724 0.057 5 0 "[ . 1]" 1
781 2 56 SER H 2 56 SER QB 3.500 . 5.000 2.860 2.425 3.295 . 0 0 "[ . 1]" 1
782 2 56 SER H 2 59 THR HA 3.500 . 5.000 4.983 4.939 5.015 0.015 4 0 "[ . 1]" 1
783 2 56 SER HA 2 57 THR H 3.500 . 5.000 2.421 2.266 2.564 . 0 0 "[ . 1]" 1
784 2 57 THR H 2 57 THR MG 3.500 . 5.000 2.562 1.738 3.760 0.062 3 0 "[ . 1]" 1
785 2 57 THR HA 2 58 GLY H 3.500 . 5.000 2.167 2.146 2.257 . 0 0 "[ . 1]" 1
786 2 59 THR HB 2 60 GLU H 3.500 . 5.000 3.133 2.170 4.014 . 0 0 "[ . 1]" 1
787 2 60 GLU H 2 60 GLU QB 3.500 . 5.000 3.020 2.789 3.220 . 0 0 "[ . 1]" 1
788 2 60 GLU H 2 60 GLU QG 3.500 . 5.000 2.209 1.748 2.745 0.052 10 0 "[ . 1]" 1
789 2 60 GLU QB 2 61 VAL H 3.500 . 5.000 2.434 2.260 2.578 . 0 0 "[ . 1]" 1
790 2 60 GLU QB 2 61 VAL HA 3.800 . 5.000 4.129 3.927 4.255 . 0 0 "[ . 1]" 1
791 2 61 VAL HA 2 62 THR H 3.500 . 5.000 2.175 2.139 2.228 . 0 0 "[ . 1]" 1
792 2 61 VAL HA 2 62 THR HA 3.800 . 5.000 4.385 4.363 4.419 . 0 0 "[ . 1]" 1
793 2 61 VAL HB 2 62 THR H 3.500 . 5.000 4.322 4.206 4.434 . 0 0 "[ . 1]" 1
794 2 62 THR H 2 62 THR HB 3.500 . 5.000 2.629 2.502 2.805 . 0 0 "[ . 1]" 1
795 2 62 THR HA 2 63 LEU H 3.500 . 5.000 2.189 2.138 2.257 . 0 0 "[ . 1]" 1
796 2 62 THR HA 2 63 LEU QB 3.800 . 5.000 4.207 3.973 4.497 . 0 0 "[ . 1]" 1
797 2 63 LEU H 2 63 LEU QB 3.500 . 5.000 2.381 2.224 2.750 . 0 0 "[ . 1]" 1
798 2 63 LEU H 2 63 LEU QD 3.500 . 5.000 3.554 2.795 3.915 . 0 0 "[ . 1]" 1
799 2 63 LEU HA 2 63 LEU QD 3.800 . 5.000 2.618 2.044 3.421 . 0 0 "[ . 1]" 1
800 2 63 LEU QD 2 64 ILE H 3.500 . 5.000 2.590 1.756 3.363 0.044 7 0 "[ . 1]" 1
801 2 63 LEU QD 2 65 ALA H 3.500 . 5.000 3.738 2.961 4.372 . 0 0 "[ . 1]" 1
802 2 63 LEU QD 2 77 LEU QD 3.800 . 5.000 2.038 1.726 2.525 0.074 10 0 "[ . 1]" 1
803 2 63 LEU QD 2 78 ALA HA 3.800 . 5.000 4.357 3.403 4.476 . 0 0 "[ . 1]" 1
804 2 63 LEU QD 2 81 VAL MG2 3.800 . 5.000 3.435 3.023 3.800 . 0 0 "[ . 1]" 1
805 2 64 ILE H 2 64 ILE HB 3.500 . 5.000 2.780 2.588 2.936 . 0 0 "[ . 1]" 1
806 2 64 ILE H 2 65 ALA HA 3.500 . 5.000 4.966 4.824 5.034 0.034 10 0 "[ . 1]" 1
807 2 64 ILE HA 2 65 ALA H 3.500 . 5.000 2.135 2.125 2.149 . 0 0 "[ . 1]" 1
808 2 64 ILE HB 2 65 ALA H 3.500 . 5.000 4.191 3.919 4.397 . 0 0 "[ . 1]" 1
809 2 64 ILE HB 2 65 ALA HA 3.800 . 5.000 4.681 4.454 4.935 . 0 0 "[ . 1]" 1
810 2 65 ALA HA 2 66 GLN H 3.500 . 5.000 2.162 2.154 2.169 . 0 0 "[ . 1]" 1
811 2 65 ALA MB 2 70 GLU QB 3.800 . 5.000 2.280 1.913 2.863 . 0 0 "[ . 1]" 1
812 2 65 ALA MB 2 72 GLU QB 3.800 . 6.000 5.411 5.376 5.470 . 0 0 "[ . 1]" 1
813 2 66 GLN H 2 66 GLN QB 3.500 . 5.000 2.860 2.420 3.118 . 0 0 "[ . 1]" 1
814 2 66 GLN H 2 66 GLN QG 3.500 . 5.000 2.373 1.785 3.985 0.015 8 0 "[ . 1]" 1
815 2 66 GLN H 2 67 GLY QA 3.500 . 5.000 4.534 4.465 4.580 . 0 0 "[ . 1]" 1
816 2 66 GLN H 2 70 GLU QB 3.500 . 5.000 4.293 3.815 4.472 . 0 0 "[ . 1]" 1
817 2 66 GLN HA 2 67 GLY H 3.500 . 5.000 2.168 2.124 2.207 . 0 0 "[ . 1]" 1
818 2 66 GLN HA 2 70 GLU QG 3.800 . 5.000 4.437 4.107 4.535 . 0 0 "[ . 1]" 1
819 2 66 GLN QG 2 67 GLY H 3.500 . 5.000 4.082 2.201 4.458 . 0 0 "[ . 1]" 1
820 2 67 GLY H 2 70 GLU QB 3.500 . 5.000 3.318 2.938 3.681 . 0 0 "[ . 1]" 1
821 2 67 GLY QA 2 68 GLU H 3.500 . 5.000 2.235 2.156 2.284 . 0 0 "[ . 1]" 1
822 2 67 GLY QA 2 68 GLU HA 3.800 . 5.000 3.974 3.960 4.039 . 0 0 "[ . 1]" 1
823 2 67 GLY QA 2 70 GLU QB 3.800 . 5.000 3.877 3.057 4.483 . 0 0 "[ . 1]" 1
824 2 68 GLU H 2 68 GLU QB 3.500 . 5.000 2.465 2.271 2.744 . 0 0 "[ . 1]" 1
825 2 68 GLU HA 2 69 ASP H 3.500 . 5.000 3.334 2.436 3.566 . 0 0 "[ . 1]" 1
826 2 68 GLU HA 2 69 ASP HA 3.800 . 5.000 4.639 4.299 4.795 . 0 0 "[ . 1]" 1
827 2 68 GLU HA 2 70 GLU H 3.500 . 5.000 3.832 3.333 5.214 0.214 3 0 "[ . 1]" 1
828 2 68 GLU HA 2 70 GLU QG 3.800 . 5.000 3.416 2.651 4.478 . 0 0 "[ . 1]" 1
829 2 68 GLU QB 2 69 ASP QB 3.800 . 5.000 4.238 4.017 4.378 . 0 0 "[ . 1]" 1
830 2 69 ASP H 2 70 GLU HA 3.500 . 5.000 4.819 4.106 5.045 0.045 6 0 "[ . 1]" 1
831 2 69 ASP H 2 70 GLU QG 3.500 . 5.000 3.815 2.110 4.459 . 0 0 "[ . 1]" 1
832 2 69 ASP QB 2 72 GLU H 3.500 . 5.000 4.432 4.327 4.511 . 0 0 "[ . 1]" 1
833 2 70 GLU H 2 70 GLU QB 3.500 . 5.000 2.612 2.395 2.926 . 0 0 "[ . 1]" 1
834 2 70 GLU H 2 70 GLU QG 3.500 . 5.000 2.105 1.771 3.361 0.029 6 0 "[ . 1]" 1
835 2 70 GLU HA 2 71 GLN H 3.500 . 5.000 3.166 2.863 3.320 . 0 0 "[ . 1]" 1
836 2 70 GLU QB 2 73 ALA MB 3.800 . 5.000 2.807 2.589 3.113 . 0 0 "[ . 1]" 1
837 2 70 GLU QG 2 71 GLN HA 3.800 . 5.000 4.134 3.554 4.395 . 0 0 "[ . 1]" 1
838 2 70 GLU QG 2 71 GLN QB 3.800 . 5.000 4.391 4.125 4.562 . 0 0 "[ . 1]" 1
839 2 71 GLN H 2 71 GLN QB 3.500 . 5.000 2.236 2.220 2.249 . 0 0 "[ . 1]" 1
840 2 71 GLN HA 2 74 LEU H 3.500 . 5.000 3.648 3.290 3.856 . 0 0 "[ . 1]" 1
841 2 71 GLN QB 2 72 GLU H 3.500 . 5.000 2.428 2.300 2.786 . 0 0 "[ . 1]" 1
842 2 71 GLN QB 2 72 GLU QB 3.800 . 5.000 4.406 3.845 4.507 . 0 0 "[ . 1]" 1
843 2 71 GLN QG 2 72 GLU H 3.500 . 5.000 3.125 2.961 3.455 . 0 0 "[ . 1]" 1
844 2 71 GLN QG 2 72 GLU QB 3.800 . 5.000 4.475 4.388 4.509 . 0 0 "[ . 1]" 1
845 2 71 GLN QG 2 75 GLU QB 3.800 . 5.000 2.117 1.935 2.355 . 0 0 "[ . 1]" 1
846 2 71 GLN QG 2 75 GLU QG 3.800 . 5.000 3.467 3.004 3.775 . 0 0 "[ . 1]" 1
847 2 72 GLU H 2 72 GLU QB 3.500 . 5.000 2.448 2.105 2.634 . 0 0 "[ . 1]" 1
848 2 72 GLU H 2 72 GLU QG 3.500 . 5.000 2.387 1.794 4.025 0.006 3 0 "[ . 1]" 1
849 2 72 GLU HA 2 75 GLU QB 3.800 . 5.000 2.585 2.399 2.899 . 0 0 "[ . 1]" 1
850 2 72 GLU HA 2 76 LYS H 3.500 . 5.000 2.317 2.075 2.665 . 0 0 "[ . 1]" 1
851 2 72 GLU QB 2 73 ALA H 3.500 . 5.000 2.852 2.483 3.394 . 0 0 "[ . 1]" 1
852 2 72 GLU QB 2 73 ALA HA 3.800 . 5.000 4.021 3.836 4.508 . 0 0 "[ . 1]" 1
853 2 72 GLU QB 2 73 ALA MB 3.800 . 5.000 4.049 3.836 4.542 . 0 0 "[ . 1]" 1
854 2 72 GLU QB 2 75 GLU QB 3.800 . 5.000 4.456 4.322 4.520 . 0 0 "[ . 1]" 1
855 2 72 GLU QB 2 76 LYS H 3.500 . 5.000 3.912 3.742 4.153 . 0 0 "[ . 1]" 1
856 2 72 GLU QB 2 76 LYS QB 3.800 . 5.000 2.858 2.513 3.195 . 0 0 "[ . 1]" 1
857 2 72 GLU QB 2 76 LYS QE 3.800 . 5.000 4.080 3.348 4.468 . 0 0 "[ . 1]" 1
858 2 72 GLU QB 2 76 LYS QG 3.800 . 5.000 4.230 3.652 4.518 . 0 0 "[ . 1]" 1
859 2 72 GLU QB 2 77 LEU H 3.500 . 5.000 3.990 3.616 4.384 . 0 0 "[ . 1]" 1
860 2 72 GLU QB 2 77 LEU QB 3.800 . 6.000 4.743 4.378 5.301 . 0 0 "[ . 1]" 1
861 2 72 GLU QB 2 77 LEU QD 3.800 . 5.000 3.529 2.874 4.480 . 0 0 "[ . 1]" 1
862 2 73 ALA MB 2 74 LEU H 3.500 . 5.000 2.263 2.195 2.442 . 0 0 "[ . 1]" 1
863 2 74 LEU H 2 74 LEU QB 3.500 . 5.000 2.439 2.218 2.724 . 0 0 "[ . 1]" 1
864 2 74 LEU H 2 75 GLU QB 3.500 . 5.000 4.196 4.142 4.274 . 0 0 "[ . 1]" 1
865 2 74 LEU HA 2 74 LEU QD 3.800 . 5.000 2.225 1.932 2.443 . 0 0 "[ . 1]" 1
866 2 74 LEU HA 2 75 GLU H 3.500 . 5.000 3.532 3.505 3.555 . 0 0 "[ . 1]" 1
867 2 74 LEU QB 2 75 GLU H 3.500 . 5.000 2.580 2.376 2.762 . 0 0 "[ . 1]" 1
868 2 75 GLU QB 2 76 LYS H 3.500 . 5.000 2.052 1.960 2.332 . 0 0 "[ . 1]" 1
869 2 75 GLU QB 2 76 LYS QB 3.800 . 5.000 3.383 3.279 3.543 . 0 0 "[ . 1]" 1
870 2 76 LYS H 2 76 LYS QB 3.500 . 5.000 2.209 2.151 2.262 . 0 0 "[ . 1]" 1
871 2 76 LYS HA 2 76 LYS QD 3.800 . 5.000 2.606 2.138 4.039 . 0 0 "[ . 1]" 1
872 2 76 LYS HA 2 76 LYS QG 3.800 . 5.000 2.357 2.169 2.476 . 0 0 "[ . 1]" 1
873 2 76 LYS HA 2 77 LEU H 3.500 . 5.000 3.582 3.575 3.587 . 0 0 "[ . 1]" 1
874 2 76 LYS HA 2 77 LEU HA 3.800 . 5.000 4.791 4.766 4.801 . 0 0 "[ . 1]" 1
875 2 76 LYS QB 2 76 LYS QE 3.800 . 5.000 2.350 2.219 3.418 . 0 0 "[ . 1]" 1
876 2 76 LYS QB 2 77 LEU H 3.500 . 5.000 2.031 1.945 2.097 . 0 0 "[ . 1]" 1
877 2 76 LYS QB 2 77 LEU HA 3.800 . 5.000 3.791 3.701 3.968 . 0 0 "[ . 1]" 1
878 2 76 LYS QG 2 77 LEU HA 3.800 . 5.000 3.953 3.413 4.264 . 0 0 "[ . 1]" 1
879 2 77 LEU H 2 77 LEU QB 3.500 . 5.000 2.230 2.074 2.300 . 0 0 "[ . 1]" 1
880 2 77 LEU HA 2 77 LEU QD 3.800 . 5.000 2.256 2.215 2.423 . 0 0 "[ . 1]" 1
881 2 77 LEU HA 2 78 ALA H 3.500 . 5.000 3.565 3.492 3.594 . 0 0 "[ . 1]" 1
882 2 77 LEU HA 2 78 ALA HA 3.800 . 5.000 4.788 4.747 4.813 . 0 0 "[ . 1]" 1
883 2 77 LEU HA 2 79 ALA H 3.500 . 5.000 4.391 4.066 4.758 . 0 0 "[ . 1]" 1
884 2 77 LEU HA 2 80 TYR H 3.500 . 5.000 3.355 3.115 3.555 . 0 0 "[ . 1]" 1
885 2 77 LEU HA 2 80 TYR QB 3.800 . 5.000 2.505 2.362 2.648 . 0 0 "[ . 1]" 1
886 2 77 LEU HA 2 81 VAL H 3.500 . 6.000 3.548 3.326 3.722 . 0 0 "[ . 1]" 1
887 2 77 LEU QB 2 80 TYR QB 3.800 . 5.000 4.320 4.002 4.461 . 0 0 "[ . 1]" 1
888 2 77 LEU QB 2 81 VAL H 3.500 . 5.000 4.437 4.382 4.576 . 0 0 "[ . 1]" 1
889 2 77 LEU QD 2 81 VAL MG2 3.800 . 5.000 2.894 2.326 3.833 . 0 0 "[ . 1]" 1
890 2 78 ALA H 2 79 ALA MB 3.500 . 5.000 4.395 4.317 4.461 . 0 0 "[ . 1]" 1
891 2 78 ALA HA 2 79 ALA H 3.500 . 5.000 3.539 3.497 3.565 . 0 0 "[ . 1]" 1
892 2 78 ALA HA 2 80 TYR H 3.500 . 5.000 4.487 4.258 4.899 . 0 0 "[ . 1]" 1
893 2 78 ALA HA 2 81 VAL HB 3.800 . 5.000 2.840 2.537 3.141 . 0 0 "[ . 1]" 1
894 2 78 ALA HA 2 82 GLN H 3.500 . 5.000 4.322 3.806 4.568 . 0 0 "[ . 1]" 1
895 2 78 ALA MB 2 79 ALA H 3.500 . 5.000 2.560 2.326 2.803 . 0 0 "[ . 1]" 1
896 2 78 ALA MB 2 79 ALA MB 3.800 . 5.000 3.637 3.461 3.755 . 0 0 "[ . 1]" 1
897 2 79 ALA H 2 80 TYR QB 3.500 . 5.000 4.328 4.211 4.441 . 0 0 "[ . 1]" 1
898 2 79 ALA HA 2 80 TYR H 3.500 . 5.000 3.531 3.504 3.570 . 0 0 "[ . 1]" 1
899 2 79 ALA HA 2 81 VAL H 3.500 . 5.000 4.634 4.409 4.912 . 0 0 "[ . 1]" 1
900 2 79 ALA MB 2 80 TYR H 3.500 . 5.000 2.581 2.342 2.711 . 0 0 "[ . 1]" 1
901 2 80 TYR H 2 80 TYR QB 3.500 . 5.000 2.244 2.194 2.281 . 0 0 "[ . 1]" 1
902 2 80 TYR HA 2 81 VAL HA 3.800 . 5.000 4.775 4.718 4.831 . 0 0 "[ . 1]" 1
903 2 80 TYR HA 2 83 GLU H 3.500 . 5.000 3.986 3.318 5.011 0.011 9 0 "[ . 1]" 1
904 2 80 TYR HA 2 84 GLU H 3.500 . 5.000 4.427 3.151 5.003 0.003 10 0 "[ . 1]" 1
905 2 80 TYR QB 2 81 VAL H 3.500 . 5.000 2.476 2.242 2.694 . 0 0 "[ . 1]" 1
906 2 80 TYR QB 2 82 GLN H 3.500 . 5.000 4.386 4.197 4.466 . 0 0 "[ . 1]" 1
907 2 81 VAL H 2 82 GLN QB 3.500 . 5.000 4.403 4.217 4.507 . 0 0 "[ . 1]" 1
908 2 81 VAL HA 2 82 GLN H 3.500 . 5.000 3.440 3.382 3.519 . 0 0 "[ . 1]" 1
909 2 81 VAL HB 2 82 GLN H 3.500 . 5.000 3.093 2.780 3.282 . 0 0 "[ . 1]" 1
910 2 81 VAL HB 2 82 GLN QB 3.800 . 5.000 4.259 3.868 4.464 . 0 0 "[ . 1]" 1
911 2 82 GLN HA 2 82 GLN QG 3.800 . 5.000 2.321 2.200 2.627 . 0 0 "[ . 1]" 1
912 2 84 GLU HA 2 85 VAL HA 3.800 . 5.000 4.433 4.327 4.605 . 0 0 "[ . 1]" 1
913 2 84 GLU HA 2 85 VAL MG2 3.800 . 5.000 3.690 3.313 4.041 . 0 0 "[ . 1]" 1
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