NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
518385 |
2l8t   |
17425 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l8t
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 481
_Distance_constraint_stats_list.Viol_count 833
_Distance_constraint_stats_list.Viol_total 234.155
_Distance_constraint_stats_list.Viol_max 0.174
_Distance_constraint_stats_list.Viol_rms 0.0073
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0012
_Distance_constraint_stats_list.Viol_average_violations_only 0.0141
_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 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 THR 0.023 0.012 8 0 "[ . 1 . 2]"
1 3 LYS 0.205 0.035 13 0 "[ . 1 . 2]"
1 4 TYR 1.089 0.144 13 0 "[ . 1 . 2]"
1 5 GLU 0.826 0.144 13 0 "[ . 1 . 2]"
1 6 LEU 1.040 0.054 12 0 "[ . 1 . 2]"
1 7 ASN 0.421 0.046 10 0 "[ . 1 . 2]"
1 8 ASN 0.288 0.017 18 0 "[ . 1 . 2]"
1 9 THR 0.717 0.061 20 0 "[ . 1 . 2]"
1 10 LYS 0.396 0.067 20 0 "[ . 1 . 2]"
1 11 LYS 0.074 0.013 15 0 "[ . 1 . 2]"
1 12 VAL 0.008 0.004 6 0 "[ . 1 . 2]"
1 13 ALA 0.148 0.016 2 0 "[ . 1 . 2]"
1 14 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ALA 0.004 0.004 8 0 "[ . 1 . 2]"
1 16 PHE 0.137 0.011 9 0 "[ . 1 . 2]"
1 17 GLY 0.017 0.006 17 0 "[ . 1 . 2]"
1 18 LEU 0.017 0.006 17 0 "[ . 1 . 2]"
1 19 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 GLU 0.153 0.143 17 0 "[ . 1 . 2]"
1 21 GLU 0.205 0.143 17 0 "[ . 1 . 2]"
1 22 ASP 0.006 0.003 9 0 "[ . 1 . 2]"
1 23 THR 0.011 0.002 12 0 "[ . 1 . 2]"
1 24 ASN 0.145 0.048 19 0 "[ . 1 . 2]"
1 25 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 LEU 0.171 0.075 6 0 "[ . 1 . 2]"
1 27 ILE 1.521 0.127 6 0 "[ . 1 . 2]"
1 28 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 ALA 0.675 0.075 6 0 "[ . 1 . 2]"
1 30 VAL 0.240 0.067 3 0 "[ . 1 . 2]"
1 31 ASP 1.558 0.127 6 0 "[ . 1 . 2]"
1 32 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 ASP 0.221 0.026 6 0 "[ . 1 . 2]"
1 34 ILE 0.851 0.109 20 0 "[ . 1 . 2]"
1 35 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ASN 0.179 0.032 7 0 "[ . 1 . 2]"
1 38 MET 0.036 0.010 13 0 "[ . 1 . 2]"
1 39 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 ILE 0.072 0.008 10 0 "[ . 1 . 2]"
1 44 GLU 0.000 0.000 18 0 "[ . 1 . 2]"
1 45 LEU 0.000 0.000 18 0 "[ . 1 . 2]"
1 53 GLN 0.001 0.001 12 0 "[ . 1 . 2]"
1 54 LYS 0.001 0.001 12 0 "[ . 1 . 2]"
1 62 ASN 0.001 0.001 19 0 "[ . 1 . 2]"
1 63 LEU 0.001 0.001 19 0 "[ . 1 . 2]"
1 64 ALA 0.000 0.000 10 0 "[ . 1 . 2]"
1 69 ILE 0.001 0.001 12 0 "[ . 1 . 2]"
1 70 ILE 0.001 0.001 12 0 "[ . 1 . 2]"
2 1 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 2 THR 0.012 0.008 1 0 "[ . 1 . 2]"
2 3 LYS 0.043 0.006 5 0 "[ . 1 . 2]"
2 4 TYR 1.406 0.174 14 0 "[ . 1 . 2]"
2 5 GLU 0.848 0.174 14 0 "[ . 1 . 2]"
2 6 LEU 0.625 0.029 6 0 "[ . 1 . 2]"
2 7 ASN 0.239 0.029 6 0 "[ . 1 . 2]"
2 8 ASN 0.189 0.018 6 0 "[ . 1 . 2]"
2 9 THR 0.505 0.031 12 0 "[ . 1 . 2]"
2 10 LYS 0.332 0.041 20 0 "[ . 1 . 2]"
2 11 LYS 0.071 0.013 16 0 "[ . 1 . 2]"
2 12 VAL 0.020 0.014 20 0 "[ . 1 . 2]"
2 13 ALA 0.125 0.011 9 0 "[ . 1 . 2]"
2 14 ASN 0.002 0.001 20 0 "[ . 1 . 2]"
2 15 ALA 0.019 0.006 16 0 "[ . 1 . 2]"
2 16 PHE 0.158 0.016 2 0 "[ . 1 . 2]"
2 17 GLY 0.024 0.006 2 0 "[ . 1 . 2]"
2 18 LEU 0.032 0.006 2 0 "[ . 1 . 2]"
2 19 ASN 0.037 0.032 10 0 "[ . 1 . 2]"
2 20 GLU 0.043 0.032 10 0 "[ . 1 . 2]"
2 21 GLU 0.062 0.034 10 0 "[ . 1 . 2]"
2 22 ASP 0.008 0.002 9 0 "[ . 1 . 2]"
2 23 THR 0.013 0.004 6 0 "[ . 1 . 2]"
2 24 ASN 0.065 0.034 10 0 "[ . 1 . 2]"
2 25 LEU 0.001 0.001 2 0 "[ . 1 . 2]"
2 26 LEU 0.222 0.033 13 0 "[ . 1 . 2]"
2 27 ILE 1.639 0.125 12 0 "[ . 1 . 2]"
2 28 ASN 0.002 0.002 8 0 "[ . 1 . 2]"
2 29 ALA 0.829 0.061 20 0 "[ . 1 . 2]"
2 30 VAL 0.256 0.069 4 0 "[ . 1 . 2]"
2 31 ASP 1.701 0.125 12 0 "[ . 1 . 2]"
2 32 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 33 ASP 0.180 0.027 4 0 "[ . 1 . 2]"
2 34 ILE 0.939 0.075 6 0 "[ . 1 . 2]"
2 35 LYS 0.255 0.056 13 0 "[ . 1 . 2]"
2 36 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 37 ASN 0.078 0.021 8 0 "[ . 1 . 2]"
2 38 MET 0.498 0.056 13 0 "[ . 1 . 2]"
2 39 GLN 0.266 0.053 6 0 "[ . 1 . 2]"
2 40 GLU 0.086 0.023 6 0 "[ . 1 . 2]"
2 41 ILE 0.073 0.020 13 0 "[ . 1 . 2]"
2 44 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 45 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 53 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 54 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 62 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 63 LEU 0.001 0.001 19 0 "[ . 1 . 2]"
2 64 ALA 0.001 0.001 19 0 "[ . 1 . 2]"
2 69 ILE 0.026 0.023 4 0 "[ . 1 . 2]"
2 70 ILE 0.026 0.023 4 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 GLU HA 1 2 THR H . . 5.000 3.179 2.165 3.570 . 0 0 "[ . 1 . 2]" 1
2 1 2 THR H 1 3 LYS H . . 3.300 2.250 1.899 2.922 . 0 0 "[ . 1 . 2]" 1
3 1 2 THR H 1 4 TYR H . . 5.000 4.344 3.241 5.004 0.004 8 0 "[ . 1 . 2]" 1
4 1 2 THR HA 1 3 LYS H . . 5.000 3.298 2.912 3.572 . 0 0 "[ . 1 . 2]" 1
5 1 2 THR HA 1 4 TYR H . . 5.000 4.700 3.959 5.012 0.012 8 0 "[ . 1 . 2]" 1
6 1 3 LYS H 1 4 TYR H . . 3.300 2.827 1.984 3.307 0.007 6 0 "[ . 1 . 2]" 1
7 1 3 LYS HA 1 4 TYR H . . 5.000 2.888 2.337 3.571 . 0 0 "[ . 1 . 2]" 1
8 1 3 LYS HB2 1 31 ASP HB3 . . 5.000 4.494 3.328 5.020 0.020 6 0 "[ . 1 . 2]" 1
9 1 3 LYS HB3 1 31 ASP HB3 . . 5.000 4.886 3.954 5.035 0.035 13 0 "[ . 1 . 2]" 1
10 1 3 LYS QD 1 27 ILE MD . . 5.000 4.166 2.250 5.008 0.008 19 0 "[ . 1 . 2]" 1
11 1 3 LYS QG 1 27 ILE MG . . 5.000 4.261 2.951 5.015 0.015 19 0 "[ . 1 . 2]" 1
12 1 4 TYR H 1 5 GLU H . . 3.300 2.746 2.204 3.444 0.144 13 0 "[ . 1 . 2]" 1
13 1 4 TYR HA 1 5 GLU H . . 5.000 2.917 2.196 3.566 . 0 0 "[ . 1 . 2]" 1
14 1 4 TYR QD 1 34 ILE MD . . 5.000 4.968 4.832 5.028 0.028 6 0 "[ . 1 . 2]" 1
15 1 4 TYR QD 1 34 ILE MG . . 5.000 4.885 4.432 5.017 0.017 10 0 "[ . 1 . 2]" 1
16 1 4 TYR QD 2 37 ASN H . . 5.000 4.926 4.434 5.021 0.021 8 0 "[ . 1 . 2]" 1
17 1 4 TYR QD 2 37 ASN QB . . 5.000 2.344 2.008 3.040 . 0 0 "[ . 1 . 2]" 1
18 1 4 TYR QE 1 6 LEU MD1 . . 5.000 4.770 4.163 5.008 0.008 19 0 "[ . 1 . 2]" 1
19 1 4 TYR QE 1 31 ASP HB2 . . 5.000 4.806 4.449 5.011 0.011 8 0 "[ . 1 . 2]" 1
20 1 4 TYR QE 1 34 ILE MD . . 5.000 4.946 4.307 5.036 0.036 20 0 "[ . 1 . 2]" 1
21 1 4 TYR QE 1 34 ILE MG . . 5.000 4.010 3.379 4.444 . 0 0 "[ . 1 . 2]" 1
22 1 4 TYR QE 2 41 ILE HA . . 5.000 4.365 3.217 5.005 0.005 13 0 "[ . 1 . 2]" 1
23 1 4 TYR QE 2 41 ILE MD . . 5.000 3.600 1.968 5.011 0.011 18 0 "[ . 1 . 2]" 1
24 1 4 TYR QE 2 41 ILE MG . . 5.000 3.751 2.014 4.933 . 0 0 "[ . 1 . 2]" 1
25 1 5 GLU H 1 6 LEU H . . 2.900 2.876 2.299 2.945 0.045 12 0 "[ . 1 . 2]" 1
26 1 5 GLU H 2 37 ASN HD21 . . 5.000 4.807 3.771 5.005 0.005 20 0 "[ . 1 . 2]" 1
27 1 5 GLU H 2 37 ASN HD22 . . 5.000 4.434 3.172 5.007 0.007 13 0 "[ . 1 . 2]" 1
28 1 5 GLU HA 1 7 ASN H . . 5.000 3.747 3.210 5.008 0.008 13 0 "[ . 1 . 2]" 1
29 1 6 LEU H 1 7 ASN H . . 2.900 2.914 2.848 2.946 0.046 10 0 "[ . 1 . 2]" 1
30 1 6 LEU HA 1 7 ASN H . . 5.000 2.806 2.617 2.897 . 0 0 "[ . 1 . 2]" 1
31 1 6 LEU HA 1 8 ASN H . . 5.000 3.834 3.742 3.897 . 0 0 "[ . 1 . 2]" 1
32 1 6 LEU HA 1 9 THR H . . 5.000 3.238 3.072 3.424 . 0 0 "[ . 1 . 2]" 1
33 1 6 LEU HA 1 9 THR HB . . 3.300 3.218 2.906 3.354 0.054 12 0 "[ . 1 . 2]" 1
34 1 6 LEU HA 1 10 LYS H . . 5.000 4.539 4.143 4.851 . 0 0 "[ . 1 . 2]" 1
35 1 6 LEU MD1 2 30 VAL HB . . 5.000 4.911 4.111 5.020 0.020 13 0 "[ . 1 . 2]" 1
36 1 6 LEU MD1 2 33 ASP HB2 . . 5.000 4.637 3.688 5.009 0.009 3 0 "[ . 1 . 2]" 1
37 1 6 LEU MD1 2 33 ASP HB3 . . 5.000 4.054 3.679 4.605 . 0 0 "[ . 1 . 2]" 1
38 1 6 LEU MD2 2 33 ASP HA . . 5.000 4.199 3.768 4.604 . 0 0 "[ . 1 . 2]" 1
39 1 6 LEU MD2 2 33 ASP HB2 . . 5.000 2.395 2.029 3.155 . 0 0 "[ . 1 . 2]" 1
40 1 6 LEU MD2 2 33 ASP HB3 . . 5.000 2.009 1.881 2.615 . 0 0 "[ . 1 . 2]" 1
41 1 7 ASN H 1 8 ASN H . . 2.900 2.796 2.709 2.864 . 0 0 "[ . 1 . 2]" 1
42 1 7 ASN H 1 9 THR H . . 5.000 4.011 3.855 4.143 . 0 0 "[ . 1 . 2]" 1
43 1 7 ASN HA 1 8 ASN H . . 5.000 3.561 3.554 3.563 . 0 0 "[ . 1 . 2]" 1
44 1 7 ASN HA 1 9 THR H . . 5.000 4.395 4.245 4.696 . 0 0 "[ . 1 . 2]" 1
45 1 7 ASN HA 1 10 LYS H . . 5.000 3.699 3.551 3.860 . 0 0 "[ . 1 . 2]" 1
46 1 7 ASN HA 1 10 LYS QB . . 3.300 3.045 2.714 3.302 0.002 9 0 "[ . 1 . 2]" 1
47 1 7 ASN HA 1 11 LYS H . . 5.000 4.778 4.158 5.013 0.013 15 0 "[ . 1 . 2]" 1
48 1 8 ASN H 1 9 THR H . . 2.900 2.632 2.530 2.694 . 0 0 "[ . 1 . 2]" 1
49 1 8 ASN H 1 10 LYS H . . 5.000 4.314 4.174 4.435 . 0 0 "[ . 1 . 2]" 1
50 1 8 ASN HA 1 9 THR H . . 5.000 3.516 3.500 3.549 . 0 0 "[ . 1 . 2]" 1
51 1 8 ASN HA 1 10 LYS H . . 5.000 4.477 4.255 4.742 . 0 0 "[ . 1 . 2]" 1
52 1 8 ASN HA 1 11 LYS H . . 5.000 3.559 3.449 3.741 . 0 0 "[ . 1 . 2]" 1
53 1 8 ASN HA 1 12 VAL H . . 5.000 4.704 4.447 4.964 . 0 0 "[ . 1 . 2]" 1
54 1 8 ASN HB2 2 29 ALA MB . . 5.000 5.007 4.997 5.017 0.017 18 0 "[ . 1 . 2]" 1
55 1 8 ASN HB3 2 29 ALA MB . . 5.000 5.007 4.992 5.017 0.017 12 0 "[ . 1 . 2]" 1
56 1 9 THR H 1 10 LYS H . . 2.900 2.710 2.588 2.782 . 0 0 "[ . 1 . 2]" 1
57 1 9 THR HA 1 10 LYS H . . 5.000 3.547 3.518 3.557 . 0 0 "[ . 1 . 2]" 1
58 1 9 THR HA 1 11 LYS H . . 5.000 4.176 4.073 4.453 . 0 0 "[ . 1 . 2]" 1
59 1 9 THR HA 1 12 VAL H . . 5.000 3.283 3.166 3.426 . 0 0 "[ . 1 . 2]" 1
60 1 9 THR HA 1 12 VAL HB . . 3.300 2.966 2.702 3.303 0.003 12 0 "[ . 1 . 2]" 1
61 1 9 THR HA 1 13 ALA H . . 5.000 4.391 4.056 4.746 . 0 0 "[ . 1 . 2]" 1
62 1 9 THR HA 2 29 ALA MB . . 3.300 3.303 3.038 3.361 0.061 20 0 "[ . 1 . 2]" 1
63 1 9 THR HG1 2 30 VAL H . . 5.000 4.419 3.585 5.001 0.001 16 0 "[ . 1 . 2]" 1
64 1 9 THR MG 2 30 VAL H . . 5.000 3.649 2.436 3.915 . 0 0 "[ . 1 . 2]" 1
65 1 9 THR MG 2 33 ASP HB3 . . 5.000 4.969 4.683 5.027 0.027 4 0 "[ . 1 . 2]" 1
66 1 10 LYS H 1 11 LYS H . . 2.900 2.745 2.739 2.809 . 0 0 "[ . 1 . 2]" 1
67 1 10 LYS H 1 27 ILE MD . . 5.000 3.165 2.688 4.874 . 0 0 "[ . 1 . 2]" 1
68 1 10 LYS H 1 27 ILE MG . . 5.000 5.020 5.000 5.067 0.067 20 0 "[ . 1 . 2]" 1
69 1 10 LYS HA 1 11 LYS H . . 5.000 3.518 3.514 3.551 . 0 0 "[ . 1 . 2]" 1
70 1 10 LYS HA 1 12 VAL H . . 5.000 4.228 4.070 4.487 . 0 0 "[ . 1 . 2]" 1
71 1 10 LYS HA 1 13 ALA H . . 5.000 3.560 3.362 3.702 . 0 0 "[ . 1 . 2]" 1
72 1 10 LYS HA 1 13 ALA MB . . 3.300 2.998 2.832 3.221 . 0 0 "[ . 1 . 2]" 1
73 1 10 LYS HA 1 14 ASN H . . 5.000 4.183 3.828 4.482 . 0 0 "[ . 1 . 2]" 1
74 1 11 LYS H 1 12 VAL H . . 2.900 2.547 2.479 2.660 . 0 0 "[ . 1 . 2]" 1
75 1 11 LYS H 1 13 ALA H . . 5.000 4.236 4.076 4.388 . 0 0 "[ . 1 . 2]" 1
76 1 11 LYS HA 1 12 VAL H . . 5.000 3.502 3.493 3.543 . 0 0 "[ . 1 . 2]" 1
77 1 11 LYS HA 1 13 ALA H . . 5.000 4.459 4.315 4.601 . 0 0 "[ . 1 . 2]" 1
78 1 11 LYS HA 1 14 ASN H . . 5.000 3.448 3.323 3.538 . 0 0 "[ . 1 . 2]" 1
79 1 11 LYS HA 1 14 ASN QB . . 3.300 2.538 2.286 2.973 . 0 0 "[ . 1 . 2]" 1
80 1 11 LYS HA 1 15 ALA H . . 5.000 4.417 4.158 5.004 0.004 8 0 "[ . 1 . 2]" 1
81 1 12 VAL H 1 13 ALA H . . 2.900 2.629 2.591 2.710 . 0 0 "[ . 1 . 2]" 1
82 1 12 VAL H 1 14 ASN H . . 5.000 3.967 3.802 4.063 . 0 0 "[ . 1 . 2]" 1
83 1 12 VAL HA 1 13 ALA H . . 5.000 3.542 3.526 3.554 . 0 0 "[ . 1 . 2]" 1
84 1 12 VAL HA 1 14 ASN H . . 5.000 4.419 4.154 4.535 . 0 0 "[ . 1 . 2]" 1
85 1 12 VAL HA 1 15 ALA H . . 5.000 3.669 3.570 3.924 . 0 0 "[ . 1 . 2]" 1
86 1 12 VAL HA 1 15 ALA MB . . 3.300 2.861 2.398 3.231 . 0 0 "[ . 1 . 2]" 1
87 1 12 VAL MG1 2 26 LEU HB2 . . 5.000 3.191 2.521 4.171 . 0 0 "[ . 1 . 2]" 1
88 1 12 VAL MG1 2 26 LEU HB3 . . 5.000 4.490 3.943 5.004 0.004 6 0 "[ . 1 . 2]" 1
89 1 12 VAL MG1 2 26 LEU MD1 . . 5.000 2.215 1.761 3.463 . 0 0 "[ . 1 . 2]" 1
90 1 12 VAL MG1 2 26 LEU MD2 . . 5.000 4.019 1.859 4.921 . 0 0 "[ . 1 . 2]" 1
91 1 12 VAL MG1 2 29 ALA MB . . 5.000 3.310 2.823 3.863 . 0 0 "[ . 1 . 2]" 1
92 1 12 VAL MG2 2 29 ALA MB . . 3.300 2.983 2.609 3.301 0.001 4 0 "[ . 1 . 2]" 1
93 1 13 ALA H 1 14 ASN H . . 2.900 2.534 2.486 2.545 . 0 0 "[ . 1 . 2]" 1
94 1 13 ALA HA 1 14 ASN H . . 5.000 3.514 3.461 3.527 . 0 0 "[ . 1 . 2]" 1
95 1 13 ALA HA 2 16 PHE QD . . 5.000 5.007 5.000 5.016 0.016 2 0 "[ . 1 . 2]" 1
96 1 13 ALA MB 1 23 THR MG . . 5.000 1.968 1.803 2.189 . 0 0 "[ . 1 . 2]" 1
97 1 13 ALA MB 1 26 LEU MD1 . . 5.000 3.109 1.931 4.321 . 0 0 "[ . 1 . 2]" 1
98 1 13 ALA MB 1 26 LEU MD2 . . 5.000 2.019 1.716 2.286 . 0 0 "[ . 1 . 2]" 1
99 1 14 ASN H 1 15 ALA H . . 2.900 2.568 2.449 2.696 . 0 0 "[ . 1 . 2]" 1
100 1 14 ASN HA 1 15 ALA H . . 5.000 3.430 3.030 3.462 . 0 0 "[ . 1 . 2]" 1
101 1 14 ASN HA 1 23 THR MG . . 5.000 3.143 2.593 3.698 . 0 0 "[ . 1 . 2]" 1
102 1 14 ASN QB 1 20 GLU HA . . 5.000 4.631 4.170 4.976 . 0 0 "[ . 1 . 2]" 1
103 1 15 ALA H 1 16 PHE H . . 3.300 2.661 2.169 2.874 . 0 0 "[ . 1 . 2]" 1
104 1 15 ALA HA 1 16 PHE H . . 5.000 3.505 3.458 3.555 . 0 0 "[ . 1 . 2]" 1
105 1 16 PHE H 1 17 GLY H . . 3.300 2.717 2.677 2.762 . 0 0 "[ . 1 . 2]" 1
106 1 16 PHE QD 2 13 ALA HA . . 5.000 5.006 5.001 5.011 0.011 9 0 "[ . 1 . 2]" 1
107 1 16 PHE QD 2 16 PHE QE . . 3.300 2.872 2.554 3.300 0.000 8 0 "[ . 1 . 2]" 1
108 1 16 PHE QD 2 18 LEU MD1 . . 3.300 2.981 2.582 3.303 0.003 3 0 "[ . 1 . 2]" 1
109 1 16 PHE QD 2 18 LEU MD2 . . 5.000 2.409 1.916 4.970 . 0 0 "[ . 1 . 2]" 1
110 1 16 PHE QE 2 16 PHE QD . . 3.300 2.936 2.325 3.304 0.004 11 0 "[ . 1 . 2]" 1
111 1 16 PHE QE 2 18 LEU MD1 . . 3.300 2.464 2.188 3.283 . 0 0 "[ . 1 . 2]" 1
112 1 16 PHE QE 2 22 ASP HB3 . . 5.000 2.667 2.064 3.710 . 0 0 "[ . 1 . 2]" 1
113 1 16 PHE HZ 2 22 ASP HA . . 5.000 4.871 4.192 5.002 0.002 9 0 "[ . 1 . 2]" 1
114 1 16 PHE HZ 2 22 ASP HB2 . . 5.000 4.576 2.326 4.965 . 0 0 "[ . 1 . 2]" 1
115 1 16 PHE HZ 2 22 ASP HB3 . . 5.000 3.362 2.034 4.098 . 0 0 "[ . 1 . 2]" 1
116 1 17 GLY H 1 18 LEU H . . 3.300 3.256 3.124 3.306 0.006 17 0 "[ . 1 . 2]" 1
117 1 18 LEU H 1 19 ASN H . . 3.300 2.634 2.611 2.706 . 0 0 "[ . 1 . 2]" 1
118 1 18 LEU MD1 2 16 PHE QD . . 3.300 2.976 2.111 3.293 . 0 0 "[ . 1 . 2]" 1
119 1 18 LEU MD1 2 16 PHE QE . . 3.300 2.450 2.259 2.839 . 0 0 "[ . 1 . 2]" 1
120 1 18 LEU MD2 2 16 PHE QD . . 5.000 2.359 1.954 3.451 . 0 0 "[ . 1 . 2]" 1
121 1 19 ASN H 1 20 GLU H . . 3.300 2.822 1.871 2.885 . 0 0 "[ . 1 . 2]" 1
122 1 20 GLU H 1 21 GLU H . . 3.300 2.187 2.009 3.443 0.143 17 0 "[ . 1 . 2]" 1
123 1 20 GLU H 1 22 ASP H . . 5.000 2.744 2.587 3.702 . 0 0 "[ . 1 . 2]" 1
124 1 20 GLU HA 1 21 GLU H . . 5.000 3.547 3.530 3.569 . 0 0 "[ . 1 . 2]" 1
125 1 20 GLU HA 1 22 ASP H . . 5.000 4.484 4.307 4.593 . 0 0 "[ . 1 . 2]" 1
126 1 20 GLU HA 1 23 THR H . . 5.000 3.651 3.395 3.750 . 0 0 "[ . 1 . 2]" 1
127 1 20 GLU HA 1 23 THR HB . . 3.300 3.291 3.247 3.302 0.002 12 0 "[ . 1 . 2]" 1
128 1 20 GLU HA 1 24 ASN H . . 5.000 4.525 4.237 4.696 . 0 0 "[ . 1 . 2]" 1
129 1 21 GLU H 1 22 ASP H . . 2.900 2.605 2.536 2.726 . 0 0 "[ . 1 . 2]" 1
130 1 21 GLU H 1 23 THR H . . 5.000 4.104 3.989 4.292 . 0 0 "[ . 1 . 2]" 1
131 1 21 GLU H 1 24 ASN H . . 5.000 4.983 4.890 5.019 0.019 17 0 "[ . 1 . 2]" 1
132 1 21 GLU HA 1 22 ASP H . . 5.000 3.528 3.502 3.542 . 0 0 "[ . 1 . 2]" 1
133 1 21 GLU HA 1 23 THR H . . 5.000 4.190 4.057 4.392 . 0 0 "[ . 1 . 2]" 1
134 1 21 GLU HA 1 24 ASN H . . 5.000 3.472 3.383 3.568 . 0 0 "[ . 1 . 2]" 1
135 1 21 GLU HA 1 24 ASN QB . . 3.300 2.989 2.602 3.211 . 0 0 "[ . 1 . 2]" 1
136 1 21 GLU HA 1 25 LEU H . . 5.000 4.018 3.815 4.257 . 0 0 "[ . 1 . 2]" 1
137 1 22 ASP H 1 23 THR H . . 2.900 2.676 2.616 2.722 . 0 0 "[ . 1 . 2]" 1
138 1 22 ASP H 1 24 ASN H . . 5.000 4.375 4.247 4.452 . 0 0 "[ . 1 . 2]" 1
139 1 22 ASP HA 1 23 THR H . . 5.000 3.513 3.491 3.539 . 0 0 "[ . 1 . 2]" 1
140 1 22 ASP HA 1 24 ASN H . . 5.000 4.633 4.512 4.755 . 0 0 "[ . 1 . 2]" 1
141 1 22 ASP HA 1 25 LEU H . . 5.000 3.569 3.440 3.726 . 0 0 "[ . 1 . 2]" 1
142 1 22 ASP HA 1 25 LEU HB2 . . 3.300 3.049 2.671 3.300 . 0 0 "[ . 1 . 2]" 1
143 1 22 ASP HA 1 25 LEU HB3 . . 3.300 3.030 2.776 3.299 . 0 0 "[ . 1 . 2]" 1
144 1 22 ASP HA 1 26 LEU H . . 5.000 4.184 3.768 4.592 . 0 0 "[ . 1 . 2]" 1
145 1 22 ASP HA 2 16 PHE HZ . . 5.000 4.885 4.208 5.003 0.003 9 0 "[ . 1 . 2]" 1
146 1 22 ASP HB2 2 16 PHE HZ . . 5.000 4.565 4.110 4.907 . 0 0 "[ . 1 . 2]" 1
147 1 22 ASP HB3 2 16 PHE QE . . 5.000 2.810 2.277 3.770 . 0 0 "[ . 1 . 2]" 1
148 1 22 ASP HB3 2 16 PHE HZ . . 5.000 3.490 2.959 3.860 . 0 0 "[ . 1 . 2]" 1
149 1 23 THR H 1 24 ASN H . . 2.900 2.678 2.624 2.762 . 0 0 "[ . 1 . 2]" 1
150 1 23 THR HA 1 24 ASN H . . 5.000 3.556 3.550 3.559 . 0 0 "[ . 1 . 2]" 1
151 1 23 THR HA 1 25 LEU H . . 5.000 4.449 4.302 4.569 . 0 0 "[ . 1 . 2]" 1
152 1 23 THR HA 1 26 LEU H . . 5.000 3.648 3.459 3.716 . 0 0 "[ . 1 . 2]" 1
153 1 23 THR HA 1 26 LEU HB3 . . 3.300 3.076 2.767 3.300 0.000 5 0 "[ . 1 . 2]" 1
154 1 23 THR HA 1 27 ILE H . . 5.000 4.483 3.869 4.711 . 0 0 "[ . 1 . 2]" 1
155 1 24 ASN H 1 25 LEU H . . 2.900 2.610 2.578 2.701 . 0 0 "[ . 1 . 2]" 1
156 1 24 ASN HA 1 25 LEU H . . 5.000 3.524 3.520 3.534 . 0 0 "[ . 1 . 2]" 1
157 1 24 ASN HA 1 26 LEU H . . 5.000 4.277 4.221 4.494 . 0 0 "[ . 1 . 2]" 1
158 1 24 ASN HA 1 27 ILE H . . 5.000 3.521 3.456 3.659 . 0 0 "[ . 1 . 2]" 1
159 1 24 ASN HA 1 27 ILE HB . . 3.300 3.152 2.889 3.348 0.048 19 0 "[ . 1 . 2]" 1
160 1 25 LEU H 1 26 LEU H . . 2.900 2.670 2.600 2.700 . 0 0 "[ . 1 . 2]" 1
161 1 25 LEU H 1 27 ILE H . . 5.000 4.351 4.213 4.403 . 0 0 "[ . 1 . 2]" 1
162 1 25 LEU HA 1 26 LEU H . . 5.000 3.525 3.523 3.541 . 0 0 "[ . 1 . 2]" 1
163 1 25 LEU HA 1 27 ILE H . . 5.000 4.632 4.522 4.764 . 0 0 "[ . 1 . 2]" 1
164 1 25 LEU HA 1 28 ASN H . . 5.000 3.506 3.403 3.662 . 0 0 "[ . 1 . 2]" 1
165 1 25 LEU HA 1 28 ASN QB . . 3.300 2.567 2.346 2.873 . 0 0 "[ . 1 . 2]" 1
166 1 26 LEU H 1 27 ILE H . . 2.900 2.713 2.634 2.750 . 0 0 "[ . 1 . 2]" 1
167 1 26 LEU H 1 29 ALA H . . 5.000 4.981 4.843 5.075 0.075 6 0 "[ . 1 . 2]" 1
168 1 26 LEU HA 1 27 ILE H . . 5.000 3.556 3.549 3.558 . 0 0 "[ . 1 . 2]" 1
169 1 26 LEU HA 1 28 ASN H . . 5.000 4.141 4.066 4.228 . 0 0 "[ . 1 . 2]" 1
170 1 26 LEU HA 1 29 ALA H . . 5.000 3.548 3.416 3.703 . 0 0 "[ . 1 . 2]" 1
171 1 26 LEU HA 1 29 ALA MB . . 3.300 3.036 2.777 3.306 0.006 20 0 "[ . 1 . 2]" 1
172 1 26 LEU HA 1 30 VAL H . . 5.000 4.423 4.007 4.934 . 0 0 "[ . 1 . 2]" 1
173 1 26 LEU HB2 2 12 VAL MG1 . . 5.000 3.118 2.536 3.737 . 0 0 "[ . 1 . 2]" 1
174 1 26 LEU HB3 2 12 VAL MG1 . . 5.000 4.450 3.644 5.002 0.002 5 0 "[ . 1 . 2]" 1
175 1 26 LEU MD1 2 12 VAL MG1 . . 5.000 2.287 1.871 3.174 . 0 0 "[ . 1 . 2]" 1
176 1 26 LEU MD2 2 12 VAL MG1 . . 5.000 4.277 3.443 4.672 . 0 0 "[ . 1 . 2]" 1
177 1 27 ILE H 1 28 ASN H . . 2.900 2.646 2.570 2.713 . 0 0 "[ . 1 . 2]" 1
178 1 27 ILE H 1 29 ALA H . . 5.000 4.313 4.229 4.447 . 0 0 "[ . 1 . 2]" 1
179 1 27 ILE HA 1 28 ASN H . . 5.000 3.491 3.482 3.514 . 0 0 "[ . 1 . 2]" 1
180 1 27 ILE HA 1 29 ALA H . . 5.000 4.257 4.102 4.461 . 0 0 "[ . 1 . 2]" 1
181 1 27 ILE HA 1 30 VAL H . . 5.000 3.398 3.226 3.533 . 0 0 "[ . 1 . 2]" 1
182 1 27 ILE HA 1 30 VAL HB . . 3.300 2.954 2.583 3.367 0.067 3 0 "[ . 1 . 2]" 1
183 1 27 ILE HA 1 31 ASP H . . 5.000 3.554 3.264 4.287 . 0 0 "[ . 1 . 2]" 1
184 1 27 ILE MD 1 31 ASP QB . . 5.000 4.801 2.964 5.066 0.066 5 0 "[ . 1 . 2]" 1
185 1 27 ILE QG 1 31 ASP QB . . 5.000 4.932 4.092 5.127 0.127 6 0 "[ . 1 . 2]" 1
186 1 28 ASN H 1 29 ALA H . . 2.900 2.640 2.614 2.699 . 0 0 "[ . 1 . 2]" 1
187 1 28 ASN H 1 31 ASP H . . 5.000 4.741 4.580 4.982 . 0 0 "[ . 1 . 2]" 1
188 1 28 ASN HA 1 29 ALA H . . 5.000 3.527 3.517 3.546 . 0 0 "[ . 1 . 2]" 1
189 1 28 ASN HA 1 30 VAL H . . 5.000 4.634 4.297 4.750 . 0 0 "[ . 1 . 2]" 1
190 1 28 ASN HA 1 31 ASP H . . 5.000 3.906 3.663 4.048 . 0 0 "[ . 1 . 2]" 1
191 1 28 ASN HA 1 31 ASP QB . . 3.300 2.954 2.776 3.254 . 0 0 "[ . 1 . 2]" 1
192 1 28 ASN HA 1 32 LEU H . . 5.000 3.908 3.746 4.327 . 0 0 "[ . 1 . 2]" 1
193 1 29 ALA H 1 30 VAL H . . 2.900 2.574 2.521 2.653 . 0 0 "[ . 1 . 2]" 1
194 1 29 ALA H 1 31 ASP H . . 5.000 4.208 3.830 4.463 . 0 0 "[ . 1 . 2]" 1
195 1 29 ALA HA 1 30 VAL H . . 5.000 3.545 3.520 3.555 . 0 0 "[ . 1 . 2]" 1
196 1 29 ALA HA 1 31 ASP H . . 5.000 4.798 4.131 4.939 . 0 0 "[ . 1 . 2]" 1
197 1 29 ALA HA 1 32 LEU H . . 5.000 3.730 3.407 3.860 . 0 0 "[ . 1 . 2]" 1
198 1 29 ALA HA 1 32 LEU QB . . 3.300 2.774 2.275 3.133 . 0 0 "[ . 1 . 2]" 1
199 1 29 ALA HA 1 33 ASP H . . 5.000 4.154 3.742 4.486 . 0 0 "[ . 1 . 2]" 1
200 1 29 ALA MB 2 8 ASN HB2 . . 5.000 4.916 4.321 5.017 0.017 6 0 "[ . 1 . 2]" 1
201 1 29 ALA MB 2 8 ASN HB3 . . 5.000 4.900 4.245 5.018 0.018 6 0 "[ . 1 . 2]" 1
202 1 29 ALA MB 2 9 THR HA . . 3.300 3.315 3.302 3.331 0.031 12 0 "[ . 1 . 2]" 1
203 1 29 ALA MB 2 12 VAL MG1 . . 5.000 3.241 2.677 4.002 . 0 0 "[ . 1 . 2]" 1
204 1 29 ALA MB 2 12 VAL MG2 . . 3.300 2.895 2.512 3.314 0.014 20 0 "[ . 1 . 2]" 1
205 1 30 VAL H 1 31 ASP H . . 2.900 2.706 2.582 2.766 . 0 0 "[ . 1 . 2]" 1
206 1 30 VAL H 1 32 LEU H . . 5.000 4.021 3.953 4.242 . 0 0 "[ . 1 . 2]" 1
207 1 30 VAL H 2 9 THR HG1 . . 5.000 4.472 3.254 5.005 0.005 11 0 "[ . 1 . 2]" 1
208 1 30 VAL H 2 9 THR MG . . 5.000 3.660 2.398 4.090 . 0 0 "[ . 1 . 2]" 1
209 1 30 VAL HA 1 31 ASP H . . 5.000 3.557 3.491 3.565 . 0 0 "[ . 1 . 2]" 1
210 1 30 VAL HA 1 32 LEU H . . 5.000 4.393 4.251 4.605 . 0 0 "[ . 1 . 2]" 1
211 1 30 VAL HA 1 33 ASP H . . 5.000 3.464 3.236 3.792 . 0 0 "[ . 1 . 2]" 1
212 1 30 VAL HA 1 33 ASP QB . . 3.300 2.668 2.327 3.090 . 0 0 "[ . 1 . 2]" 1
213 1 30 VAL HA 1 34 ILE H . . 5.000 4.186 3.839 4.657 . 0 0 "[ . 1 . 2]" 1
214 1 30 VAL HB 2 6 LEU MD1 . . 5.000 4.914 4.265 5.022 0.022 15 0 "[ . 1 . 2]" 1
215 1 31 ASP H 1 32 LEU H . . 2.900 2.701 2.438 2.811 . 0 0 "[ . 1 . 2]" 1
216 1 31 ASP H 1 33 ASP H . . 5.000 4.108 3.749 4.285 . 0 0 "[ . 1 . 2]" 1
217 1 31 ASP HA 1 32 LEU H . . 5.000 3.528 3.525 3.542 . 0 0 "[ . 1 . 2]" 1
218 1 31 ASP HA 1 33 ASP H . . 5.000 4.335 4.114 4.582 . 0 0 "[ . 1 . 2]" 1
219 1 31 ASP HA 1 34 ILE H . . 5.000 3.652 3.333 3.815 . 0 0 "[ . 1 . 2]" 1
220 1 31 ASP HA 1 34 ILE HB . . 3.300 3.108 2.791 3.305 0.005 20 0 "[ . 1 . 2]" 1
221 1 31 ASP HA 2 34 ILE HB . . 5.000 5.022 4.998 5.075 0.075 6 0 "[ . 1 . 2]" 1
222 1 31 ASP HA 2 34 ILE MD . . 3.300 2.124 1.893 2.574 . 0 0 "[ . 1 . 2]" 1
223 1 31 ASP HA 2 34 ILE MG . . 5.000 3.801 3.148 4.200 . 0 0 "[ . 1 . 2]" 1
224 1 32 LEU H 1 33 ASP H . . 2.900 2.567 2.475 2.749 . 0 0 "[ . 1 . 2]" 1
225 1 32 LEU H 1 34 ILE H . . 5.000 4.285 4.165 4.368 . 0 0 "[ . 1 . 2]" 1
226 1 32 LEU HA 1 33 ASP H . . 5.000 3.512 3.490 3.544 . 0 0 "[ . 1 . 2]" 1
227 1 32 LEU HA 1 34 ILE H . . 5.000 4.575 4.504 4.680 . 0 0 "[ . 1 . 2]" 1
228 1 32 LEU HA 1 35 LYS QB . . 3.300 2.556 2.416 2.635 . 0 0 "[ . 1 . 2]" 1
229 1 32 LEU HA 1 36 ASN H . . 5.000 4.222 4.057 4.341 . 0 0 "[ . 1 . 2]" 1
230 1 33 ASP H 1 34 ILE H . . 2.900 2.688 2.625 2.746 . 0 0 "[ . 1 . 2]" 1
231 1 33 ASP H 1 35 LYS H . . 5.000 4.054 3.999 4.135 . 0 0 "[ . 1 . 2]" 1
232 1 33 ASP HA 1 34 ILE H . . 5.000 3.552 3.550 3.554 . 0 0 "[ . 1 . 2]" 1
233 1 33 ASP HA 1 36 ASN H . . 5.000 3.718 3.668 3.754 . 0 0 "[ . 1 . 2]" 1
234 1 33 ASP HA 1 36 ASN QB . . 3.300 3.055 2.850 3.230 . 0 0 "[ . 1 . 2]" 1
235 1 33 ASP HA 1 37 ASN H . . 5.000 4.893 4.526 5.014 0.014 6 0 "[ . 1 . 2]" 1
236 1 33 ASP HA 2 6 LEU MD2 . . 5.000 4.158 3.975 4.311 . 0 0 "[ . 1 . 2]" 1
237 1 33 ASP HB2 2 6 LEU MD1 . . 5.000 4.730 4.183 5.017 0.017 7 0 "[ . 1 . 2]" 1
238 1 33 ASP HB2 2 6 LEU MD2 . . 5.000 2.590 1.882 3.240 . 0 0 "[ . 1 . 2]" 1
239 1 33 ASP HB3 2 6 LEU MD1 . . 5.000 4.046 3.617 4.350 . 0 0 "[ . 1 . 2]" 1
240 1 33 ASP HB3 2 6 LEU MD2 . . 5.000 1.961 1.878 2.216 . 0 0 "[ . 1 . 2]" 1
241 1 33 ASP HB3 2 9 THR MG . . 5.000 4.977 4.818 5.026 0.026 6 0 "[ . 1 . 2]" 1
242 1 34 ILE H 1 35 LYS H . . 2.900 2.625 2.612 2.656 . 0 0 "[ . 1 . 2]" 1
243 1 34 ILE H 1 36 ASN H . . 5.000 4.163 4.114 4.188 . 0 0 "[ . 1 . 2]" 1
244 1 34 ILE HA 1 35 LYS H . . 5.000 3.535 3.533 3.547 . 0 0 "[ . 1 . 2]" 1
245 1 34 ILE HA 1 36 ASN H . . 5.000 4.229 4.193 4.307 . 0 0 "[ . 1 . 2]" 1
246 1 34 ILE HA 1 37 ASN H . . 5.000 3.340 3.242 3.502 . 0 0 "[ . 1 . 2]" 1
247 1 34 ILE HA 1 37 ASN QB . . 3.300 2.735 2.423 2.952 . 0 0 "[ . 1 . 2]" 1
248 1 34 ILE HA 1 38 MET H . . 5.000 4.566 4.226 5.009 0.009 10 0 "[ . 1 . 2]" 1
249 1 34 ILE HB 2 31 ASP HA . . 5.000 5.017 4.937 5.109 0.109 20 0 "[ . 1 . 2]" 1
250 1 34 ILE MD 2 31 ASP HA . . 3.300 2.175 1.884 2.526 . 0 0 "[ . 1 . 2]" 1
251 1 34 ILE MG 2 31 ASP HA . . 5.000 3.861 3.329 4.153 . 0 0 "[ . 1 . 2]" 1
252 1 35 LYS H 1 36 ASN H . . 2.900 2.738 2.678 2.754 . 0 0 "[ . 1 . 2]" 1
253 1 35 LYS HA 1 36 ASN H . . 5.000 3.528 3.526 3.532 . 0 0 "[ . 1 . 2]" 1
254 1 35 LYS HA 1 37 ASN H . . 5.000 4.104 3.798 4.259 . 0 0 "[ . 1 . 2]" 1
255 1 35 LYS HA 1 38 MET H . . 5.000 3.291 3.175 3.619 . 0 0 "[ . 1 . 2]" 1
256 1 35 LYS HA 1 38 MET HB2 . . 3.300 2.592 2.143 3.258 . 0 0 "[ . 1 . 2]" 1
257 1 36 ASN H 1 37 ASN H . . 2.900 2.596 2.522 2.631 . 0 0 "[ . 1 . 2]" 1
258 1 36 ASN HA 1 37 ASN H . . 5.000 3.489 3.431 3.518 . 0 0 "[ . 1 . 2]" 1
259 1 36 ASN HA 1 38 MET H . . 5.000 4.021 3.611 4.253 . 0 0 "[ . 1 . 2]" 1
260 1 37 ASN H 1 38 MET H . . 2.900 2.366 2.311 2.571 . 0 0 "[ . 1 . 2]" 1
261 1 37 ASN H 2 4 TYR QD . . 5.000 4.976 4.567 5.032 0.032 7 0 "[ . 1 . 2]" 1
262 1 37 ASN HA 1 38 MET H . . 5.000 3.421 3.362 3.469 . 0 0 "[ . 1 . 2]" 1
263 1 37 ASN HA 1 41 ILE H . . 5.000 4.593 3.922 5.005 0.005 4 0 "[ . 1 . 2]" 1
264 1 37 ASN QB 2 4 TYR QD . . 5.000 2.453 1.919 3.149 . 0 0 "[ . 1 . 2]" 1
265 1 37 ASN HD21 2 5 GLU H . . 5.000 4.714 4.148 5.005 0.005 9 0 "[ . 1 . 2]" 1
266 1 37 ASN HD22 2 5 GLU H . . 5.000 4.366 3.797 5.001 0.001 18 0 "[ . 1 . 2]" 1
267 1 38 MET H 1 39 GLN H . . 2.900 2.736 2.674 2.795 . 0 0 "[ . 1 . 2]" 1
268 1 38 MET HA 1 39 GLN H . . 5.000 3.476 3.441 3.524 . 0 0 "[ . 1 . 2]" 1
269 1 38 MET HA 2 41 ILE MD . . 5.000 4.778 2.775 5.010 0.010 13 0 "[ . 1 . 2]" 1
270 1 39 GLN H 1 40 GLU H . . 2.900 2.611 2.264 2.775 . 0 0 "[ . 1 . 2]" 1
271 1 40 GLU H 1 41 ILE H . . 3.300 2.507 1.897 2.768 . 0 0 "[ . 1 . 2]" 1
272 1 41 ILE HA 2 4 TYR QE . . 5.000 4.594 3.101 5.005 0.005 19 0 "[ . 1 . 2]" 1
273 1 41 ILE MD 2 4 TYR QE . . 5.000 3.277 2.117 5.000 . 0 0 "[ . 1 . 2]" 1
274 1 41 ILE MD 2 38 MET HA . . 5.000 4.983 4.897 5.008 0.008 10 0 "[ . 1 . 2]" 1
275 1 41 ILE MG 2 4 TYR QE . . 5.000 3.380 1.909 5.002 0.002 4 0 "[ . 1 . 2]" 1
276 1 44 GLU H 1 45 LEU H . . 3.300 2.616 1.928 3.300 0.000 18 0 "[ . 1 . 2]" 1
277 1 53 GLN H 1 54 LYS H . . 3.300 2.686 2.019 3.301 0.001 12 0 "[ . 1 . 2]" 1
278 1 62 ASN H 1 63 LEU H . . 3.300 2.684 1.907 3.301 0.001 19 0 "[ . 1 . 2]" 1
279 1 63 LEU H 1 64 ALA H . . 3.300 2.781 2.092 3.300 0.000 10 0 "[ . 1 . 2]" 1
280 1 69 ILE H 1 70 ILE H . . 3.300 2.642 1.981 3.301 0.001 12 0 "[ . 1 . 2]" 1
281 2 1 GLU HA 2 2 THR H . . 5.000 2.874 2.138 3.569 . 0 0 "[ . 1 . 2]" 1
282 2 2 THR H 2 3 LYS H . . 3.300 2.350 1.929 3.304 0.004 1 0 "[ . 1 . 2]" 1
283 2 2 THR H 2 4 TYR H . . 5.000 4.370 3.088 4.993 . 0 0 "[ . 1 . 2]" 1
284 2 2 THR HA 2 3 LYS H . . 5.000 3.062 2.257 3.569 . 0 0 "[ . 1 . 2]" 1
285 2 2 THR HA 2 4 TYR H . . 5.000 4.430 3.267 5.008 0.008 1 0 "[ . 1 . 2]" 1
286 2 3 LYS H 2 4 TYR H . . 3.300 2.727 2.112 3.238 . 0 0 "[ . 1 . 2]" 1
287 2 3 LYS HA 2 4 TYR H . . 5.000 3.177 2.423 3.570 . 0 0 "[ . 1 . 2]" 1
288 2 3 LYS HB2 2 31 ASP HB3 . . 5.000 4.763 4.363 5.006 0.006 1 0 "[ . 1 . 2]" 1
289 2 3 LYS HB3 2 31 ASP HB3 . . 5.000 4.736 3.242 5.006 0.006 5 0 "[ . 1 . 2]" 1
290 2 3 LYS QD 2 27 ILE MD . . 5.000 4.217 2.595 5.002 0.002 5 0 "[ . 1 . 2]" 1
291 2 3 LYS QG 2 27 ILE MG . . 5.000 4.061 2.213 4.963 . 0 0 "[ . 1 . 2]" 1
292 2 4 TYR H 2 5 GLU H . . 3.300 2.771 2.207 3.474 0.174 14 0 "[ . 1 . 2]" 1
293 2 4 TYR HA 2 5 GLU H . . 5.000 3.253 2.757 3.564 . 0 0 "[ . 1 . 2]" 1
294 2 4 TYR QD 2 34 ILE MD . . 5.000 4.964 4.739 5.059 0.059 7 0 "[ . 1 . 2]" 1
295 2 4 TYR QD 2 34 ILE MG . . 5.000 4.902 4.633 5.020 0.020 14 0 "[ . 1 . 2]" 1
296 2 4 TYR QE 2 6 LEU MD1 . . 5.000 4.786 4.322 5.011 0.011 5 0 "[ . 1 . 2]" 1
297 2 4 TYR QE 2 31 ASP HB2 . . 5.000 4.926 4.411 5.019 0.019 14 0 "[ . 1 . 2]" 1
298 2 4 TYR QE 2 34 ILE MD . . 5.000 4.752 4.156 5.022 0.022 9 0 "[ . 1 . 2]" 1
299 2 4 TYR QE 2 34 ILE MG . . 5.000 3.928 3.462 4.494 . 0 0 "[ . 1 . 2]" 1
300 2 5 GLU H 2 6 LEU H . . 2.900 2.847 2.337 2.923 0.023 7 0 "[ . 1 . 2]" 1
301 2 5 GLU HA 2 7 ASN H . . 5.000 3.710 3.227 4.551 . 0 0 "[ . 1 . 2]" 1
302 2 6 LEU H 2 7 ASN H . . 2.900 2.908 2.890 2.929 0.029 6 0 "[ . 1 . 2]" 1
303 2 6 LEU HA 2 7 ASN H . . 5.000 2.806 2.678 2.894 . 0 0 "[ . 1 . 2]" 1
304 2 6 LEU HA 2 8 ASN H . . 5.000 3.841 3.777 3.877 . 0 0 "[ . 1 . 2]" 1
305 2 6 LEU HA 2 9 THR H . . 5.000 3.207 3.110 3.264 . 0 0 "[ . 1 . 2]" 1
306 2 6 LEU HA 2 9 THR HB . . 3.300 3.171 2.774 3.315 0.015 8 0 "[ . 1 . 2]" 1
307 2 6 LEU HA 2 10 LYS H . . 5.000 4.544 3.960 4.785 . 0 0 "[ . 1 . 2]" 1
308 2 7 ASN H 2 8 ASN H . . 2.900 2.788 2.680 2.866 . 0 0 "[ . 1 . 2]" 1
309 2 7 ASN H 2 9 THR H . . 5.000 3.972 3.861 4.081 . 0 0 "[ . 1 . 2]" 1
310 2 7 ASN HA 2 8 ASN H . . 5.000 3.561 3.556 3.563 . 0 0 "[ . 1 . 2]" 1
311 2 7 ASN HA 2 9 THR H . . 5.000 4.389 4.226 4.620 . 0 0 "[ . 1 . 2]" 1
312 2 7 ASN HA 2 10 LYS H . . 5.000 3.737 3.483 3.916 . 0 0 "[ . 1 . 2]" 1
313 2 7 ASN HA 2 10 LYS QB . . 3.300 3.149 2.852 3.306 0.006 12 0 "[ . 1 . 2]" 1
314 2 7 ASN HA 2 11 LYS H . . 5.000 4.897 4.505 5.013 0.013 16 0 "[ . 1 . 2]" 1
315 2 8 ASN H 2 9 THR H . . 2.900 2.602 2.544 2.664 . 0 0 "[ . 1 . 2]" 1
316 2 8 ASN H 2 10 LYS H . . 5.000 4.316 4.170 4.429 . 0 0 "[ . 1 . 2]" 1
317 2 8 ASN HA 2 9 THR H . . 5.000 3.511 3.498 3.532 . 0 0 "[ . 1 . 2]" 1
318 2 8 ASN HA 2 10 LYS H . . 5.000 4.435 4.279 4.648 . 0 0 "[ . 1 . 2]" 1
319 2 8 ASN HA 2 11 LYS H . . 5.000 3.524 3.448 3.673 . 0 0 "[ . 1 . 2]" 1
320 2 8 ASN HA 2 12 VAL H . . 5.000 4.658 4.350 4.926 . 0 0 "[ . 1 . 2]" 1
321 2 9 THR H 2 10 LYS H . . 2.900 2.721 2.590 2.775 . 0 0 "[ . 1 . 2]" 1
322 2 9 THR HA 2 10 LYS H . . 5.000 3.547 3.520 3.555 . 0 0 "[ . 1 . 2]" 1
323 2 9 THR HA 2 11 LYS H . . 5.000 4.173 4.069 4.297 . 0 0 "[ . 1 . 2]" 1
324 2 9 THR HA 2 12 VAL H . . 5.000 3.267 3.157 3.374 . 0 0 "[ . 1 . 2]" 1
325 2 9 THR HA 2 12 VAL HB . . 3.300 2.889 2.551 3.278 . 0 0 "[ . 1 . 2]" 1
326 2 9 THR HA 2 13 ALA H . . 5.000 4.305 3.828 4.780 . 0 0 "[ . 1 . 2]" 1
327 2 10 LYS H 2 11 LYS H . . 2.900 2.746 2.739 2.768 . 0 0 "[ . 1 . 2]" 1
328 2 10 LYS H 2 27 ILE MD . . 5.000 3.361 2.745 5.005 0.005 8 0 "[ . 1 . 2]" 1
329 2 10 LYS H 2 27 ILE MG . . 5.000 5.016 5.002 5.041 0.041 20 0 "[ . 1 . 2]" 1
330 2 10 LYS HA 2 11 LYS H . . 5.000 3.518 3.513 3.533 . 0 0 "[ . 1 . 2]" 1
331 2 10 LYS HA 2 12 VAL H . . 5.000 4.265 4.099 4.428 . 0 0 "[ . 1 . 2]" 1
332 2 10 LYS HA 2 13 ALA H . . 5.000 3.604 3.449 3.723 . 0 0 "[ . 1 . 2]" 1
333 2 10 LYS HA 2 13 ALA MB . . 3.300 3.012 2.713 3.302 0.002 2 0 "[ . 1 . 2]" 1
334 2 10 LYS HA 2 14 ASN H . . 5.000 4.191 3.743 4.714 . 0 0 "[ . 1 . 2]" 1
335 2 11 LYS H 2 12 VAL H . . 2.900 2.533 2.475 2.631 . 0 0 "[ . 1 . 2]" 1
336 2 11 LYS H 2 13 ALA H . . 5.000 4.231 4.113 4.367 . 0 0 "[ . 1 . 2]" 1
337 2 11 LYS HA 2 12 VAL H . . 5.000 3.504 3.493 3.535 . 0 0 "[ . 1 . 2]" 1
338 2 11 LYS HA 2 13 ALA H . . 5.000 4.478 4.185 4.635 . 0 0 "[ . 1 . 2]" 1
339 2 11 LYS HA 2 14 ASN H . . 5.000 3.451 3.279 3.581 . 0 0 "[ . 1 . 2]" 1
340 2 11 LYS HA 2 14 ASN QB . . 3.300 2.551 2.244 2.873 . 0 0 "[ . 1 . 2]" 1
341 2 11 LYS HA 2 15 ALA H . . 5.000 4.467 3.803 5.006 0.006 16 0 "[ . 1 . 2]" 1
342 2 12 VAL H 2 13 ALA H . . 2.900 2.638 2.591 2.699 . 0 0 "[ . 1 . 2]" 1
343 2 12 VAL H 2 14 ASN H . . 5.000 3.936 3.783 4.127 . 0 0 "[ . 1 . 2]" 1
344 2 12 VAL HA 2 13 ALA H . . 5.000 3.543 3.525 3.554 . 0 0 "[ . 1 . 2]" 1
345 2 12 VAL HA 2 14 ASN H . . 5.000 4.369 4.024 4.535 . 0 0 "[ . 1 . 2]" 1
346 2 12 VAL HA 2 15 ALA H . . 5.000 3.701 3.458 4.104 . 0 0 "[ . 1 . 2]" 1
347 2 12 VAL HA 2 15 ALA MB . . 3.300 2.797 2.551 3.055 . 0 0 "[ . 1 . 2]" 1
348 2 13 ALA H 2 14 ASN H . . 2.900 2.524 2.436 2.545 . 0 0 "[ . 1 . 2]" 1
349 2 13 ALA HA 2 14 ASN H . . 5.000 3.504 3.455 3.527 . 0 0 "[ . 1 . 2]" 1
350 2 13 ALA MB 2 23 THR MG . . 5.000 1.959 1.815 2.375 . 0 0 "[ . 1 . 2]" 1
351 2 13 ALA MB 2 26 LEU MD1 . . 5.000 3.497 2.274 4.293 . 0 0 "[ . 1 . 2]" 1
352 2 13 ALA MB 2 26 LEU MD2 . . 5.000 2.169 1.765 4.469 . 0 0 "[ . 1 . 2]" 1
353 2 14 ASN H 2 15 ALA H . . 2.900 2.555 2.394 2.716 . 0 0 "[ . 1 . 2]" 1
354 2 14 ASN HA 2 15 ALA H . . 5.000 3.372 3.011 3.462 . 0 0 "[ . 1 . 2]" 1
355 2 14 ASN HA 2 23 THR MG . . 5.000 3.278 2.744 3.817 . 0 0 "[ . 1 . 2]" 1
356 2 14 ASN QB 2 20 GLU HA . . 5.000 4.667 3.054 5.001 0.001 20 0 "[ . 1 . 2]" 1
357 2 15 ALA H 2 16 PHE H . . 3.300 2.582 2.049 2.879 . 0 0 "[ . 1 . 2]" 1
358 2 16 PHE H 2 17 GLY H . . 3.300 2.728 2.621 2.963 . 0 0 "[ . 1 . 2]" 1
359 2 17 GLY H 2 18 LEU H . . 3.300 3.282 3.184 3.306 0.006 2 0 "[ . 1 . 2]" 1
360 2 18 LEU H 2 19 ASN H . . 3.300 2.623 1.913 3.305 0.005 10 0 "[ . 1 . 2]" 1
361 2 19 ASN H 2 20 GLU H . . 3.300 2.869 2.623 3.332 0.032 10 0 "[ . 1 . 2]" 1
362 2 20 GLU H 2 21 GLU H . . 2.900 2.168 1.955 2.779 . 0 0 "[ . 1 . 2]" 1
363 2 20 GLU H 2 22 ASP H . . 5.000 2.844 2.585 4.419 . 0 0 "[ . 1 . 2]" 1
364 2 20 GLU HA 2 21 GLU H . . 5.000 3.520 3.112 3.562 . 0 0 "[ . 1 . 2]" 1
365 2 20 GLU HA 2 22 ASP H . . 5.000 4.438 4.015 4.585 . 0 0 "[ . 1 . 2]" 1
366 2 20 GLU HA 2 23 THR H . . 5.000 3.630 3.142 3.753 . 0 0 "[ . 1 . 2]" 1
367 2 20 GLU HA 2 23 THR HB . . 3.300 3.259 2.964 3.302 0.002 6 0 "[ . 1 . 2]" 1
368 2 20 GLU HA 2 24 ASN H . . 5.000 4.519 4.346 4.768 . 0 0 "[ . 1 . 2]" 1
369 2 21 GLU H 2 22 ASP H . . 2.900 2.591 2.531 2.706 . 0 0 "[ . 1 . 2]" 1
370 2 21 GLU H 2 23 THR H . . 5.000 4.106 3.839 4.228 . 0 0 "[ . 1 . 2]" 1
371 2 21 GLU H 2 24 ASN H . . 5.000 4.978 4.922 5.034 0.034 10 0 "[ . 1 . 2]" 1
372 2 21 GLU HA 2 22 ASP H . . 5.000 3.527 3.511 3.545 . 0 0 "[ . 1 . 2]" 1
373 2 21 GLU HA 2 23 THR H . . 5.000 4.216 4.039 4.420 . 0 0 "[ . 1 . 2]" 1
374 2 21 GLU HA 2 24 ASN H . . 5.000 3.484 3.371 3.795 . 0 0 "[ . 1 . 2]" 1
375 2 21 GLU HA 2 24 ASN QB . . 3.300 2.947 2.708 3.278 . 0 0 "[ . 1 . 2]" 1
376 2 21 GLU HA 2 25 LEU H . . 5.000 4.030 3.844 4.812 . 0 0 "[ . 1 . 2]" 1
377 2 22 ASP H 2 23 THR H . . 2.900 2.673 2.529 2.722 . 0 0 "[ . 1 . 2]" 1
378 2 22 ASP H 2 24 ASN H . . 5.000 4.365 4.254 4.426 . 0 0 "[ . 1 . 2]" 1
379 2 22 ASP HA 2 23 THR H . . 5.000 3.516 3.493 3.539 . 0 0 "[ . 1 . 2]" 1
380 2 22 ASP HA 2 24 ASN H . . 5.000 4.628 4.405 4.708 . 0 0 "[ . 1 . 2]" 1
381 2 22 ASP HA 2 25 LEU H . . 5.000 3.566 3.445 3.678 . 0 0 "[ . 1 . 2]" 1
382 2 22 ASP HA 2 25 LEU HB2 . . 3.300 3.202 3.032 3.301 0.001 2 0 "[ . 1 . 2]" 1
383 2 22 ASP HA 2 25 LEU HB3 . . 3.300 2.924 2.579 3.301 0.001 2 0 "[ . 1 . 2]" 1
384 2 22 ASP HA 2 26 LEU H . . 5.000 4.137 3.869 4.405 . 0 0 "[ . 1 . 2]" 1
385 2 23 THR H 2 24 ASN H . . 2.900 2.687 2.615 2.777 . 0 0 "[ . 1 . 2]" 1
386 2 23 THR HA 2 24 ASN H . . 5.000 3.556 3.544 3.559 . 0 0 "[ . 1 . 2]" 1
387 2 23 THR HA 2 25 LEU H . . 5.000 4.450 4.343 4.536 . 0 0 "[ . 1 . 2]" 1
388 2 23 THR HA 2 26 LEU H . . 5.000 3.628 3.443 3.715 . 0 0 "[ . 1 . 2]" 1
389 2 23 THR HA 2 26 LEU HB3 . . 3.300 3.057 2.546 3.304 0.004 6 0 "[ . 1 . 2]" 1
390 2 23 THR HA 2 27 ILE H . . 5.000 4.380 3.919 4.691 . 0 0 "[ . 1 . 2]" 1
391 2 24 ASN H 2 25 LEU H . . 2.900 2.617 2.580 2.745 . 0 0 "[ . 1 . 2]" 1
392 2 24 ASN HA 2 25 LEU H . . 5.000 3.524 3.521 3.546 . 0 0 "[ . 1 . 2]" 1
393 2 24 ASN HA 2 26 LEU H . . 5.000 4.305 4.226 4.462 . 0 0 "[ . 1 . 2]" 1
394 2 24 ASN HA 2 27 ILE H . . 5.000 3.554 3.449 3.782 . 0 0 "[ . 1 . 2]" 1
395 2 24 ASN HA 2 27 ILE HB . . 3.300 3.048 2.747 3.303 0.003 8 0 "[ . 1 . 2]" 1
396 2 25 LEU H 2 26 LEU H . . 2.900 2.651 2.566 2.731 . 0 0 "[ . 1 . 2]" 1
397 2 25 LEU H 2 27 ILE H . . 5.000 4.340 4.264 4.400 . 0 0 "[ . 1 . 2]" 1
398 2 25 LEU HA 2 26 LEU H . . 5.000 3.525 3.521 3.547 . 0 0 "[ . 1 . 2]" 1
399 2 25 LEU HA 2 27 ILE H . . 5.000 4.648 4.579 4.746 . 0 0 "[ . 1 . 2]" 1
400 2 25 LEU HA 2 28 ASN H . . 5.000 3.515 3.409 3.660 . 0 0 "[ . 1 . 2]" 1
401 2 25 LEU HA 2 28 ASN QB . . 3.300 2.579 2.279 2.779 . 0 0 "[ . 1 . 2]" 1
402 2 26 LEU H 2 27 ILE H . . 2.900 2.711 2.641 2.751 . 0 0 "[ . 1 . 2]" 1
403 2 26 LEU H 2 29 ALA H . . 5.000 4.997 4.923 5.033 0.033 13 0 "[ . 1 . 2]" 1
404 2 26 LEU HA 2 27 ILE H . . 5.000 3.556 3.554 3.558 . 0 0 "[ . 1 . 2]" 1
405 2 26 LEU HA 2 28 ASN H . . 5.000 4.136 4.060 4.230 . 0 0 "[ . 1 . 2]" 1
406 2 26 LEU HA 2 29 ALA H . . 5.000 3.554 3.465 3.707 . 0 0 "[ . 1 . 2]" 1
407 2 26 LEU HA 2 29 ALA MB . . 3.300 3.055 2.946 3.312 0.012 12 0 "[ . 1 . 2]" 1
408 2 26 LEU HA 2 30 VAL H . . 5.000 4.437 4.304 4.963 . 0 0 "[ . 1 . 2]" 1
409 2 27 ILE H 2 28 ASN H . . 2.900 2.647 2.569 2.703 . 0 0 "[ . 1 . 2]" 1
410 2 27 ILE H 2 29 ALA H . . 5.000 4.314 4.241 4.381 . 0 0 "[ . 1 . 2]" 1
411 2 27 ILE HA 2 28 ASN H . . 5.000 3.490 3.485 3.497 . 0 0 "[ . 1 . 2]" 1
412 2 27 ILE HA 2 29 ALA H . . 5.000 4.230 4.147 4.308 . 0 0 "[ . 1 . 2]" 1
413 2 27 ILE HA 2 30 VAL H . . 5.000 3.365 3.305 3.428 . 0 0 "[ . 1 . 2]" 1
414 2 27 ILE HA 2 30 VAL HB . . 3.300 2.915 2.703 3.369 0.069 4 0 "[ . 1 . 2]" 1
415 2 27 ILE HA 2 31 ASP H . . 5.000 3.477 3.325 4.261 . 0 0 "[ . 1 . 2]" 1
416 2 27 ILE MD 2 31 ASP QB . . 5.000 4.755 2.988 5.060 0.060 4 0 "[ . 1 . 2]" 1
417 2 27 ILE QG 2 31 ASP QB . . 5.000 5.023 4.854 5.125 0.125 12 0 "[ . 1 . 2]" 1
418 2 28 ASN H 2 29 ALA H . . 2.900 2.644 2.613 2.686 . 0 0 "[ . 1 . 2]" 1
419 2 28 ASN H 2 31 ASP H . . 5.000 4.716 4.568 5.002 0.002 8 0 "[ . 1 . 2]" 1
420 2 28 ASN HA 2 29 ALA H . . 5.000 3.526 3.517 3.535 . 0 0 "[ . 1 . 2]" 1
421 2 28 ASN HA 2 30 VAL H . . 5.000 4.644 4.289 4.781 . 0 0 "[ . 1 . 2]" 1
422 2 28 ASN HA 2 31 ASP H . . 5.000 3.922 3.655 4.008 . 0 0 "[ . 1 . 2]" 1
423 2 28 ASN HA 2 31 ASP QB . . 3.300 2.957 2.773 3.087 . 0 0 "[ . 1 . 2]" 1
424 2 28 ASN HA 2 32 LEU H . . 5.000 3.829 3.597 4.367 . 0 0 "[ . 1 . 2]" 1
425 2 29 ALA H 2 30 VAL H . . 2.900 2.555 2.527 2.601 . 0 0 "[ . 1 . 2]" 1
426 2 29 ALA H 2 31 ASP H . . 5.000 4.189 3.815 4.402 . 0 0 "[ . 1 . 2]" 1
427 2 29 ALA HA 2 30 VAL H . . 5.000 3.545 3.519 3.555 . 0 0 "[ . 1 . 2]" 1
428 2 29 ALA HA 2 31 ASP H . . 5.000 4.813 4.227 4.942 . 0 0 "[ . 1 . 2]" 1
429 2 29 ALA HA 2 32 LEU H . . 5.000 3.773 3.474 3.960 . 0 0 "[ . 1 . 2]" 1
430 2 29 ALA HA 2 32 LEU QB . . 3.300 2.810 2.679 3.038 . 0 0 "[ . 1 . 2]" 1
431 2 29 ALA HA 2 33 ASP H . . 5.000 4.056 3.700 4.542 . 0 0 "[ . 1 . 2]" 1
432 2 30 VAL H 2 31 ASP H . . 2.900 2.695 2.581 2.730 . 0 0 "[ . 1 . 2]" 1
433 2 30 VAL H 2 32 LEU H . . 5.000 4.042 3.966 4.216 . 0 0 "[ . 1 . 2]" 1
434 2 30 VAL HA 2 31 ASP H . . 5.000 3.557 3.492 3.565 . 0 0 "[ . 1 . 2]" 1
435 2 30 VAL HA 2 32 LEU H . . 5.000 4.454 4.246 4.782 . 0 0 "[ . 1 . 2]" 1
436 2 30 VAL HA 2 33 ASP H . . 5.000 3.468 3.279 3.668 . 0 0 "[ . 1 . 2]" 1
437 2 30 VAL HA 2 33 ASP QB . . 3.300 2.567 2.235 3.039 . 0 0 "[ . 1 . 2]" 1
438 2 30 VAL HA 2 34 ILE H . . 5.000 4.125 3.776 4.546 . 0 0 "[ . 1 . 2]" 1
439 2 31 ASP H 2 32 LEU H . . 2.900 2.713 2.430 2.818 . 0 0 "[ . 1 . 2]" 1
440 2 31 ASP H 2 33 ASP H . . 5.000 4.065 3.764 4.316 . 0 0 "[ . 1 . 2]" 1
441 2 31 ASP HA 2 32 LEU H . . 5.000 3.533 3.525 3.560 . 0 0 "[ . 1 . 2]" 1
442 2 31 ASP HA 2 33 ASP H . . 5.000 4.347 4.109 4.606 . 0 0 "[ . 1 . 2]" 1
443 2 31 ASP HA 2 34 ILE H . . 5.000 3.689 3.420 3.815 . 0 0 "[ . 1 . 2]" 1
444 2 31 ASP HA 2 34 ILE HB . . 3.300 3.176 2.786 3.307 0.007 18 0 "[ . 1 . 2]" 1
445 2 32 LEU H 2 33 ASP H . . 2.900 2.553 2.476 2.689 . 0 0 "[ . 1 . 2]" 1
446 2 32 LEU H 2 34 ILE H . . 5.000 4.287 4.168 4.467 . 0 0 "[ . 1 . 2]" 1
447 2 32 LEU HA 2 33 ASP H . . 5.000 3.509 3.490 3.550 . 0 0 "[ . 1 . 2]" 1
448 2 32 LEU HA 2 34 ILE H . . 5.000 4.552 4.483 4.652 . 0 0 "[ . 1 . 2]" 1
449 2 32 LEU HA 2 35 LYS QB . . 3.300 2.602 2.452 2.772 . 0 0 "[ . 1 . 2]" 1
450 2 32 LEU HA 2 36 ASN H . . 5.000 4.090 3.692 4.603 . 0 0 "[ . 1 . 2]" 1
451 2 33 ASP H 2 34 ILE H . . 2.900 2.692 2.627 2.738 . 0 0 "[ . 1 . 2]" 1
452 2 33 ASP H 2 35 LYS H . . 5.000 4.087 4.009 4.162 . 0 0 "[ . 1 . 2]" 1
453 2 33 ASP HA 2 34 ILE H . . 5.000 3.552 3.549 3.553 . 0 0 "[ . 1 . 2]" 1
454 2 33 ASP HA 2 36 ASN H . . 5.000 3.685 3.601 3.729 . 0 0 "[ . 1 . 2]" 1
455 2 33 ASP HA 2 36 ASN QB . . 3.300 2.944 2.614 3.173 . 0 0 "[ . 1 . 2]" 1
456 2 33 ASP HA 2 37 ASN H . . 5.000 4.707 4.282 5.003 0.003 4 0 "[ . 1 . 2]" 1
457 2 34 ILE H 2 35 LYS H . . 2.900 2.639 2.623 2.699 . 0 0 "[ . 1 . 2]" 1
458 2 34 ILE H 2 36 ASN H . . 5.000 4.120 4.004 4.230 . 0 0 "[ . 1 . 2]" 1
459 2 34 ILE HA 2 35 LYS H . . 5.000 3.539 3.534 3.550 . 0 0 "[ . 1 . 2]" 1
460 2 34 ILE HA 2 36 ASN H . . 5.000 4.283 4.202 4.396 . 0 0 "[ . 1 . 2]" 1
461 2 34 ILE HA 2 37 ASN H . . 5.000 3.420 3.279 3.597 . 0 0 "[ . 1 . 2]" 1
462 2 34 ILE HA 2 37 ASN QB . . 3.300 2.833 2.626 3.140 . 0 0 "[ . 1 . 2]" 1
463 2 34 ILE HA 2 38 MET H . . 5.000 4.232 3.766 4.800 . 0 0 "[ . 1 . 2]" 1
464 2 35 LYS H 2 36 ASN H . . 2.900 2.699 2.620 2.752 . 0 0 "[ . 1 . 2]" 1
465 2 35 LYS HA 2 36 ASN H . . 5.000 3.526 3.520 3.532 . 0 0 "[ . 1 . 2]" 1
466 2 35 LYS HA 2 37 ASN H . . 5.000 4.172 4.024 4.381 . 0 0 "[ . 1 . 2]" 1
467 2 35 LYS HA 2 38 MET H . . 5.000 3.332 3.191 3.571 . 0 0 "[ . 1 . 2]" 1
468 2 35 LYS HA 2 38 MET HB2 . . 3.300 2.755 2.110 3.356 0.056 13 0 "[ . 1 . 2]" 1
469 2 36 ASN H 2 37 ASN H . . 2.900 2.621 2.567 2.666 . 0 0 "[ . 1 . 2]" 1
470 2 36 ASN HA 2 37 ASN H . . 5.000 3.504 3.479 3.529 . 0 0 "[ . 1 . 2]" 1
471 2 36 ASN HA 2 38 MET H . . 5.000 4.379 3.827 4.976 . 0 0 "[ . 1 . 2]" 1
472 2 37 ASN H 2 38 MET H . . 2.900 2.393 2.311 2.533 . 0 0 "[ . 1 . 2]" 1
473 2 37 ASN HA 2 38 MET H . . 5.000 3.478 3.365 3.561 . 0 0 "[ . 1 . 2]" 1
474 2 38 MET H 2 39 GLN H . . 2.900 2.802 2.703 2.953 0.053 6 0 "[ . 1 . 2]" 1
475 2 39 GLN H 2 40 GLU H . . 2.900 2.691 2.251 2.923 0.023 6 0 "[ . 1 . 2]" 1
476 2 40 GLU H 2 41 ILE H . . 3.300 2.500 1.898 3.320 0.020 13 0 "[ . 1 . 2]" 1
477 2 44 GLU H 2 45 LEU H . . 3.300 2.676 1.906 3.300 . 0 0 "[ . 1 . 2]" 1
478 2 53 GLN H 2 54 LYS H . . 3.300 2.693 1.901 3.300 . 0 0 "[ . 1 . 2]" 1
479 2 62 ASN H 2 63 LEU H . . 3.300 2.829 2.188 3.299 . 0 0 "[ . 1 . 2]" 1
480 2 63 LEU H 2 64 ALA H . . 3.300 2.888 2.426 3.301 0.001 19 0 "[ . 1 . 2]" 1
481 2 69 ILE H 2 70 ILE H . . 3.300 2.605 1.901 3.323 0.023 4 0 "[ . 1 . 2]" 1
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