NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
620140 |
5ubs   |
30221 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5ubs
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 490
_Distance_constraint_stats_list.Viol_count 90
_Distance_constraint_stats_list.Viol_total 3.541
_Distance_constraint_stats_list.Viol_max 0.074
_Distance_constraint_stats_list.Viol_rms 0.0014
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0039
_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 0.001 0.001 1 0 "[ . 1]"
1 2 THR 0.000 0.000 . 0 "[ . 1]"
1 3 PHE 0.001 0.000 8 0 "[ . 1]"
1 4 LYS 0.005 0.002 9 0 "[ . 1]"
1 5 LEU 0.021 0.006 6 0 "[ . 1]"
1 6 ILE 0.000 0.000 . 0 "[ . 1]"
1 7 ILE 0.002 0.001 6 0 "[ . 1]"
1 8 ASN 0.001 0.000 6 0 "[ . 1]"
1 9 GLY 0.000 0.000 . 0 "[ . 1]"
1 10 LYS 0.018 0.009 5 0 "[ . 1]"
1 11 THR 0.000 0.000 . 0 "[ . 1]"
1 12 LEU 0.000 0.000 10 0 "[ . 1]"
1 13 LYS 0.000 0.000 . 0 "[ . 1]"
1 14 GLY 0.001 0.001 4 0 "[ . 1]"
1 15 GLU 0.001 0.001 9 0 "[ . 1]"
1 16 THR 0.001 0.001 4 0 "[ . 1]"
1 17 THR 0.006 0.001 10 0 "[ . 1]"
1 18 THR 0.003 0.001 10 0 "[ . 1]"
1 19 GLU 0.000 0.000 . 0 "[ . 1]"
1 20 ALA 0.001 0.001 1 0 "[ . 1]"
1 21 VAL 0.090 0.030 7 0 "[ . 1]"
1 22 ASP 0.088 0.030 7 0 "[ . 1]"
1 23 ALA 0.002 0.002 8 0 "[ . 1]"
1 24 ALA 0.000 0.000 . 0 "[ . 1]"
1 25 THR 0.010 0.009 8 0 "[ . 1]"
1 26 ALA 0.000 0.000 . 0 "[ . 1]"
1 27 GLU 0.005 0.002 8 0 "[ . 1]"
1 28 LYS 0.028 0.010 10 0 "[ . 1]"
1 29 VAL 0.000 0.000 3 0 "[ . 1]"
1 30 PHE 0.017 0.006 6 0 "[ . 1]"
1 31 LYS 0.000 0.000 2 0 "[ . 1]"
1 32 GLN 0.058 0.015 1 0 "[ . 1]"
1 33 TYR 0.000 0.000 . 0 "[ . 1]"
1 34 PHE 0.021 0.008 9 0 "[ . 1]"
1 35 ASN 0.000 0.000 . 0 "[ . 1]"
1 36 ASP 0.000 0.000 . 0 "[ . 1]"
1 37 ASN 0.000 0.000 . 0 "[ . 1]"
1 38 GLY 0.000 0.000 . 0 "[ . 1]"
1 39 ILE 0.078 0.074 7 0 "[ . 1]"
1 40 ASP 0.000 0.000 . 0 "[ . 1]"
1 41 GLY 0.007 0.004 7 0 "[ . 1]"
1 42 GLU 0.001 0.001 5 0 "[ . 1]"
1 43 TRP 0.000 0.000 5 0 "[ . 1]"
1 44 THR 0.001 0.001 2 0 "[ . 1]"
1 45 TYR 0.003 0.001 9 0 "[ . 1]"
1 46 ASP 0.001 0.001 8 0 "[ . 1]"
1 47 ASP 0.000 0.000 . 0 "[ . 1]"
1 48 ALA 0.009 0.007 8 0 "[ . 1]"
1 49 THR 0.013 0.007 8 0 "[ . 1]"
1 50 LYS 0.001 0.001 7 0 "[ . 1]"
1 51 THR 0.007 0.002 8 0 "[ . 1]"
1 52 PHE 0.025 0.008 9 0 "[ . 1]"
1 53 THR 0.000 0.000 . 0 "[ . 1]"
1 54 ILE 0.005 0.002 5 0 "[ . 1]"
1 55 THR 0.002 0.001 5 0 "[ . 1]"
1 56 GLU 0.001 0.000 6 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 H1 1 1 MET QB . . 3.650 2.658 2.331 3.205 . 0 0 "[ . 1]" 1
2 1 1 MET H1 1 1 MET QG . . 4.340 3.054 2.233 4.321 . 0 0 "[ . 1]" 1
3 1 1 MET H1 1 2 THR H . . 4.290 4.195 4.051 4.287 . 0 0 "[ . 1]" 1
4 1 1 MET H1 1 20 ALA H . . 3.930 3.713 2.937 3.931 0.001 1 0 "[ . 1]" 1
5 1 1 MET HA 1 1 MET HG2 . . 4.150 3.311 2.631 3.731 . 0 0 "[ . 1]" 1
6 1 1 MET HA 1 1 MET QG . . 3.630 2.720 2.223 3.314 . 0 0 "[ . 1]" 1
7 1 1 MET HA 1 1 MET HG3 . . 4.150 3.186 2.247 3.838 . 0 0 "[ . 1]" 1
8 1 1 MET HA 1 2 THR H . . 3.000 2.163 2.142 2.226 . 0 0 "[ . 1]" 1
9 1 1 MET QB 1 2 THR H . . 3.640 3.450 3.041 3.601 . 0 0 "[ . 1]" 1
10 1 1 MET QB 1 20 ALA MB . . 4.710 4.352 3.578 4.710 0.000 10 0 "[ . 1]" 1
11 1 2 THR H 1 2 THR HB . . 3.800 3.719 3.670 3.758 . 0 0 "[ . 1]" 1
12 1 2 THR H 1 2 THR MG . . 4.000 2.522 2.334 2.696 . 0 0 "[ . 1]" 1
13 1 2 THR HA 1 2 THR MG . . 3.110 2.389 2.305 2.465 . 0 0 "[ . 1]" 1
14 1 2 THR HA 1 3 PHE H . . 3.480 2.187 2.154 2.238 . 0 0 "[ . 1]" 1
15 1 2 THR HA 1 19 GLU HA . . 3.440 2.494 2.193 2.701 . 0 0 "[ . 1]" 1
16 1 2 THR HA 1 19 GLU QB . . 4.760 4.418 3.946 4.756 . 0 0 "[ . 1]" 1
17 1 2 THR HA 1 19 GLU QG . . 4.410 3.863 3.329 4.284 . 0 0 "[ . 1]" 1
18 1 2 THR HA 1 20 ALA H . . 4.050 3.536 3.043 3.969 . 0 0 "[ . 1]" 1
19 1 2 THR HB 1 17 THR HB . . 4.850 4.717 4.407 4.850 . 0 0 "[ . 1]" 1
20 1 2 THR HB 1 17 THR MG . . 3.220 2.316 2.066 2.460 . 0 0 "[ . 1]" 1
21 1 2 THR HB 1 18 THR H . . 4.600 3.215 2.725 3.455 . 0 0 "[ . 1]" 1
22 1 2 THR HB 1 18 THR HA . . 4.200 4.109 3.644 4.200 . 0 0 "[ . 1]" 1
23 1 2 THR HB 1 19 GLU HA . . 5.060 3.379 3.075 3.705 . 0 0 "[ . 1]" 1
24 1 2 THR MG 1 3 PHE H . . 4.420 4.036 3.983 4.095 . 0 0 "[ . 1]" 1
25 1 2 THR MG 1 19 GLU HA . . 3.450 2.128 1.941 2.500 . 0 0 "[ . 1]" 1
26 1 2 THR MG 1 19 GLU QB . . 3.490 2.509 1.948 3.337 . 0 0 "[ . 1]" 1
27 1 2 THR MG 1 19 GLU QG . . 4.720 2.374 1.916 3.141 . 0 0 "[ . 1]" 1
28 1 3 PHE H 1 17 THR MG . . 4.590 3.418 3.245 3.579 . 0 0 "[ . 1]" 1
29 1 3 PHE H 1 18 THR H . . 4.520 3.276 3.060 3.488 . 0 0 "[ . 1]" 1
30 1 3 PHE H 1 18 THR MG . . 4.530 3.800 3.262 4.228 . 0 0 "[ . 1]" 1
31 1 3 PHE H 1 19 GLU HA . . 4.240 4.051 3.733 4.213 . 0 0 "[ . 1]" 1
32 1 3 PHE H 1 30 PHE QE . . 4.110 3.555 2.688 3.843 . 0 0 "[ . 1]" 1
33 1 3 PHE HA 1 17 THR MG . . 4.480 3.870 3.569 4.054 . 0 0 "[ . 1]" 1
34 1 3 PHE HA 1 30 PHE QE . . 4.700 4.440 4.304 4.603 . 0 0 "[ . 1]" 1
35 1 3 PHE QB 1 26 ALA MB . . 4.170 2.831 2.122 3.292 . 0 0 "[ . 1]" 1
36 1 3 PHE HB2 1 30 PHE QE . . 4.360 2.801 1.999 3.181 . 0 0 "[ . 1]" 1
37 1 3 PHE HB3 1 30 PHE QE . . 4.360 2.931 2.870 2.976 . 0 0 "[ . 1]" 1
38 1 3 PHE QD 1 26 ALA MB . . 4.760 2.606 2.360 2.970 . 0 0 "[ . 1]" 1
39 1 3 PHE QD 1 45 TYR HA . . 5.350 5.196 5.026 5.292 . 0 0 "[ . 1]" 1
40 1 3 PHE QD 1 52 PHE H . . 4.230 3.913 3.357 4.230 0.000 8 0 "[ . 1]" 1
41 1 3 PHE QD 1 52 PHE HA . . 4.950 4.839 4.656 4.950 0.000 5 0 "[ . 1]" 1
42 1 3 PHE QD 1 52 PHE HB2 . . 4.780 3.047 2.848 3.369 . 0 0 "[ . 1]" 1
43 1 3 PHE QD 1 52 PHE QB . . 4.020 2.983 2.773 3.268 . 0 0 "[ . 1]" 1
44 1 3 PHE QD 1 52 PHE HB3 . . 4.780 4.345 3.807 4.506 . 0 0 "[ . 1]" 1
45 1 3 PHE QE 1 26 ALA MB . . 3.690 3.126 2.603 3.623 . 0 0 "[ . 1]" 1
46 1 3 PHE QE 1 27 GLU HB2 . . 4.570 3.194 2.918 3.712 . 0 0 "[ . 1]" 1
47 1 3 PHE QE 1 27 GLU HB3 . . 4.570 4.020 3.026 4.570 0.000 5 0 "[ . 1]" 1
48 1 3 PHE QE 1 27 GLU QG . . 4.860 4.054 3.027 4.860 0.000 8 0 "[ . 1]" 1
49 1 4 LYS H 1 17 THR MG . . 4.670 3.699 3.377 4.103 . 0 0 "[ . 1]" 1
50 1 4 LYS H 1 50 LYS QB . . 4.880 4.592 4.189 4.879 . 0 0 "[ . 1]" 1
51 1 4 LYS H 1 51 THR H . . 5.300 5.135 4.925 5.301 0.001 6 0 "[ . 1]" 1
52 1 4 LYS HA 1 17 THR HA . . 3.740 2.647 2.508 2.860 . 0 0 "[ . 1]" 1
53 1 4 LYS HA 1 17 THR HB . . 4.750 4.623 4.366 4.750 0.000 1 0 "[ . 1]" 1
54 1 4 LYS HA 1 17 THR MG . . 4.270 2.662 2.307 3.044 . 0 0 "[ . 1]" 1
55 1 4 LYS HA 1 18 THR H . . 4.480 4.288 4.079 4.474 . 0 0 "[ . 1]" 1
56 1 4 LYS HA 1 30 PHE QE . . 4.430 3.256 2.711 4.432 0.002 9 0 "[ . 1]" 1
57 1 4 LYS QB 1 51 THR MG . . 4.540 2.191 1.954 2.500 . 0 0 "[ . 1]" 1
58 1 4 LYS QD 1 6 ILE MD . . 4.100 2.202 1.970 3.200 . 0 0 "[ . 1]" 1
59 1 4 LYS QE 1 6 ILE MD . . 4.690 3.531 2.023 4.077 . 0 0 "[ . 1]" 1
60 1 4 LYS QE 1 17 THR MG . . 4.070 3.256 2.645 4.069 . 0 0 "[ . 1]" 1
61 1 4 LYS QG 1 5 LEU H . . 4.420 2.979 2.667 3.231 . 0 0 "[ . 1]" 1
62 1 4 LYS QG 1 6 ILE H . . 4.420 4.052 3.777 4.296 . 0 0 "[ . 1]" 1
63 1 4 LYS QG 1 6 ILE HA . . 4.680 4.301 4.130 4.509 . 0 0 "[ . 1]" 1
64 1 4 LYS QG 1 6 ILE HB . . 4.580 4.486 4.369 4.580 . 0 0 "[ . 1]" 1
65 1 4 LYS QG 1 6 ILE MD . . 3.290 2.475 1.995 3.033 . 0 0 "[ . 1]" 1
66 1 4 LYS QG 1 15 GLU QG . . 5.350 3.747 2.470 4.992 . 0 0 "[ . 1]" 1
67 1 5 LEU H 1 5 LEU HG . . 4.320 3.760 2.881 4.323 0.003 6 0 "[ . 1]" 1
68 1 5 LEU H 1 17 THR HA . . 4.480 3.709 3.369 4.140 . 0 0 "[ . 1]" 1
69 1 5 LEU H 1 17 THR MG . . 4.630 4.449 4.183 4.631 0.001 2 0 "[ . 1]" 1
70 1 5 LEU H 1 51 THR MG . . 4.950 4.835 4.711 4.950 . 0 0 "[ . 1]" 1
71 1 5 LEU HA 1 5 LEU HG . . 3.790 2.560 2.400 2.725 . 0 0 "[ . 1]" 1
72 1 5 LEU HA 1 52 PHE QB . . 3.940 2.156 1.988 2.362 . 0 0 "[ . 1]" 1
73 1 5 LEU HG 1 30 PHE HB2 . . 4.940 4.941 4.937 4.946 0.006 6 0 "[ . 1]" 1
74 1 5 LEU HG 1 30 PHE HB3 . . 4.310 3.322 3.201 3.464 . 0 0 "[ . 1]" 1
75 1 5 LEU HG 1 52 PHE HB2 . . 4.410 3.811 3.410 4.115 . 0 0 "[ . 1]" 1
76 1 5 LEU HG 1 52 PHE HB3 . . 4.410 2.641 2.045 2.897 . 0 0 "[ . 1]" 1
77 1 5 LEU HG 1 52 PHE QD . . 4.310 2.581 1.998 2.885 . 0 0 "[ . 1]" 1
78 1 5 LEU HG 1 52 PHE QE . . 4.780 4.425 3.905 4.782 0.002 8 0 "[ . 1]" 1
79 1 6 ILE H 1 6 ILE HB . . 4.080 2.683 2.612 2.781 . 0 0 "[ . 1]" 1
80 1 6 ILE H 1 6 ILE MG . . 4.070 3.869 3.839 3.909 . 0 0 "[ . 1]" 1
81 1 6 ILE HA 1 6 ILE MD . . 3.970 3.444 1.985 3.870 . 0 0 "[ . 1]" 1
82 1 6 ILE HA 1 6 ILE MG . . 3.350 2.320 2.260 2.379 . 0 0 "[ . 1]" 1
83 1 6 ILE HA 1 7 ILE H . . 3.450 2.171 2.139 2.191 . 0 0 "[ . 1]" 1
84 1 6 ILE HA 1 15 GLU HA . . 3.780 2.985 2.527 3.245 . 0 0 "[ . 1]" 1
85 1 6 ILE HA 1 15 GLU QB . . 4.360 3.822 2.411 4.203 . 0 0 "[ . 1]" 1
86 1 6 ILE HA 1 15 GLU QG . . 4.370 3.492 2.441 4.347 . 0 0 "[ . 1]" 1
87 1 6 ILE HA 1 16 THR H . . 4.700 4.348 3.912 4.678 . 0 0 "[ . 1]" 1
88 1 6 ILE HB 1 6 ILE MD . . 3.390 2.496 2.156 3.229 . 0 0 "[ . 1]" 1
89 1 6 ILE HB 1 7 ILE H . . 4.700 4.263 3.968 4.421 . 0 0 "[ . 1]" 1
90 1 6 ILE HB 1 53 THR HA . . 3.800 2.928 2.538 3.287 . 0 0 "[ . 1]" 1
91 1 6 ILE MD 1 15 GLU HA . . 5.500 4.526 2.435 5.298 . 0 0 "[ . 1]" 1
92 1 6 ILE MD 1 15 GLU QB . . 4.940 3.966 2.026 4.895 . 0 0 "[ . 1]" 1
93 1 6 ILE MD 1 15 GLU QG . . 5.040 3.483 1.898 4.551 . 0 0 "[ . 1]" 1
94 1 6 ILE QG 1 15 GLU QG . . 4.360 3.062 2.352 4.021 . 0 0 "[ . 1]" 1
95 1 6 ILE MG 1 7 ILE H . . 3.790 2.872 2.086 3.283 . 0 0 "[ . 1]" 1
96 1 6 ILE MG 1 8 ASN HB2 . . 5.380 4.173 3.479 4.735 . 0 0 "[ . 1]" 1
97 1 6 ILE MG 1 8 ASN HB3 . . 5.380 5.114 4.950 5.374 . 0 0 "[ . 1]" 1
98 1 6 ILE MG 1 15 GLU HA . . 4.330 4.139 3.783 4.324 . 0 0 "[ . 1]" 1
99 1 6 ILE MG 1 15 GLU QB . . 4.440 3.636 2.282 4.038 . 0 0 "[ . 1]" 1
100 1 6 ILE MG 1 15 GLU QG . . 4.480 3.291 2.171 4.314 . 0 0 "[ . 1]" 1
101 1 6 ILE MG 1 53 THR HA . . 4.330 4.111 3.841 4.327 . 0 0 "[ . 1]" 1
102 1 7 ILE H 1 12 LEU QD . . 4.530 4.473 4.372 4.530 0.000 10 0 "[ . 1]" 1
103 1 7 ILE H 1 14 GLY H . . 4.120 3.115 2.836 3.335 . 0 0 "[ . 1]" 1
104 1 7 ILE H 1 15 GLU HA . . 4.310 4.051 3.648 4.309 . 0 0 "[ . 1]" 1
105 1 7 ILE H 1 15 GLU QB . . 5.160 4.827 3.472 5.161 0.001 9 0 "[ . 1]" 1
106 1 7 ILE H 1 54 ILE MD . . 5.290 5.075 4.879 5.287 . 0 0 "[ . 1]" 1
107 1 7 ILE HA 1 7 ILE MD . . 4.520 3.440 3.325 3.855 . 0 0 "[ . 1]" 1
108 1 7 ILE HA 1 7 ILE QG . . 3.700 2.356 2.310 2.428 . 0 0 "[ . 1]" 1
109 1 7 ILE HA 1 7 ILE MG . . 3.340 2.317 2.269 2.366 . 0 0 "[ . 1]" 1
110 1 7 ILE HA 1 53 THR MG . . 5.050 4.353 3.888 4.662 . 0 0 "[ . 1]" 1
111 1 7 ILE HA 1 54 ILE H . . 4.460 3.180 2.711 3.638 . 0 0 "[ . 1]" 1
112 1 7 ILE HA 1 54 ILE HB . . 4.720 2.526 2.444 2.699 . 0 0 "[ . 1]" 1
113 1 7 ILE HA 1 54 ILE MG . . 4.040 4.013 3.979 4.041 0.001 6 0 "[ . 1]" 1
114 1 7 ILE HB 1 7 ILE MD . . 3.630 2.118 2.043 2.163 . 0 0 "[ . 1]" 1
115 1 7 ILE HB 1 12 LEU QD . . 3.700 2.538 2.373 2.622 . 0 0 "[ . 1]" 1
116 1 7 ILE HB 1 13 LYS HA . . 4.580 3.115 2.718 3.718 . 0 0 "[ . 1]" 1
117 1 7 ILE HB 1 14 GLY H . . 3.890 2.331 1.948 2.828 . 0 0 "[ . 1]" 1
118 1 7 ILE MD 1 7 ILE MG . . 3.240 3.084 2.608 3.149 . 0 0 "[ . 1]" 1
119 1 7 ILE MD 1 14 GLY H . . 4.520 2.558 2.226 3.283 . 0 0 "[ . 1]" 1
120 1 7 ILE MD 1 14 GLY QA . . 4.760 2.545 1.967 3.284 . 0 0 "[ . 1]" 1
121 1 7 ILE MD 1 15 GLU H . . 4.680 4.242 4.028 4.483 . 0 0 "[ . 1]" 1
122 1 7 ILE MD 1 15 GLU HA . . 4.440 3.723 3.106 4.370 . 0 0 "[ . 1]" 1
123 1 7 ILE MD 1 16 THR MG . . 4.320 4.046 3.892 4.111 . 0 0 "[ . 1]" 1
124 1 7 ILE QG 1 7 ILE MG . . 3.220 2.035 1.964 2.086 . 0 0 "[ . 1]" 1
125 1 7 ILE QG 1 12 LEU QD . . 3.120 2.854 2.676 3.053 . 0 0 "[ . 1]" 1
126 1 7 ILE QG 1 14 GLY H . . 5.100 4.185 3.825 4.771 . 0 0 "[ . 1]" 1
127 1 7 ILE MG 1 8 ASN H . . 4.140 3.065 2.678 3.371 . 0 0 "[ . 1]" 1
128 1 7 ILE MG 1 9 GLY H . . 4.290 3.245 2.753 4.025 . 0 0 "[ . 1]" 1
129 1 7 ILE MG 1 9 GLY QA . . 4.720 3.156 2.928 3.727 . 0 0 "[ . 1]" 1
130 1 7 ILE MG 1 13 LYS HA . . 4.090 3.565 3.054 4.026 . 0 0 "[ . 1]" 1
131 1 8 ASN H 1 53 THR MG . . 4.550 3.559 2.955 4.157 . 0 0 "[ . 1]" 1
132 1 8 ASN H 1 54 ILE H . . 4.500 2.983 2.743 3.451 . 0 0 "[ . 1]" 1
133 1 8 ASN H 1 55 THR HA . . 4.470 4.310 4.091 4.470 . 7 0 "[ . 1]" 1
134 1 8 ASN HA 1 9 GLY H . . 3.450 2.303 2.145 2.399 . 0 0 "[ . 1]" 1
135 1 8 ASN HA 1 13 LYS HD2 . . 4.380 3.432 2.455 4.287 . 0 0 "[ . 1]" 1
136 1 8 ASN HA 1 13 LYS HD3 . . 4.380 3.593 3.020 4.350 . 0 0 "[ . 1]" 1
137 1 8 ASN HA 1 13 LYS QE . . 4.920 3.314 1.988 4.878 . 0 0 "[ . 1]" 1
138 1 8 ASN HA 1 13 LYS QG . . 4.730 4.569 4.169 4.724 . 0 0 "[ . 1]" 1
139 1 8 ASN QB 1 53 THR MG . . 3.690 3.006 2.459 3.212 . 0 0 "[ . 1]" 1
140 1 8 ASN QB 1 55 THR HA . . 3.570 2.633 2.319 3.051 . 0 0 "[ . 1]" 1
141 1 8 ASN QB 1 55 THR MG . . 3.580 3.243 2.740 3.561 . 0 0 "[ . 1]" 1
142 1 8 ASN QB 1 56 GLU H . . 4.110 3.392 2.482 4.079 . 0 0 "[ . 1]" 1
143 1 8 ASN HB2 1 53 THR MG . . 4.340 3.087 2.516 3.310 . 0 0 "[ . 1]" 1
144 1 8 ASN HB2 1 55 THR HA . . 4.100 3.315 2.638 4.100 0.000 6 0 "[ . 1]" 1
145 1 8 ASN HB2 1 55 THR MG . . 4.190 3.928 3.368 4.190 . 0 0 "[ . 1]" 1
146 1 8 ASN HB3 1 53 THR MG . . 4.340 4.147 3.464 4.337 . 0 0 "[ . 1]" 1
147 1 8 ASN HB3 1 55 THR HA . . 4.100 3.103 2.344 4.050 . 0 0 "[ . 1]" 1
148 1 8 ASN HB3 1 55 THR MG . . 4.190 3.539 2.819 3.998 . 0 0 "[ . 1]" 1
149 1 8 ASN QD 1 53 THR MG . . 3.610 2.921 2.099 3.606 . 0 0 "[ . 1]" 1
150 1 8 ASN QD 1 55 THR MG . . 3.820 3.384 2.774 3.611 . 0 0 "[ . 1]" 1
151 1 9 GLY H 1 10 LYS H . . 4.550 4.407 4.237 4.530 . 0 0 "[ . 1]" 1
152 1 9 GLY H 1 13 LYS QD . . 4.260 2.426 2.080 3.055 . 0 0 "[ . 1]" 1
153 1 9 GLY QA 1 10 LYS QB . . 4.980 3.894 3.829 4.119 . 0 0 "[ . 1]" 1
154 1 9 GLY QA 1 11 THR H . . 4.400 3.305 3.103 3.707 . 0 0 "[ . 1]" 1
155 1 9 GLY QA 1 56 GLU QB . . 3.610 3.057 2.514 3.546 . 0 0 "[ . 1]" 1
156 1 10 LYS H 1 10 LYS QB . . 3.440 2.252 2.055 2.770 . 0 0 "[ . 1]" 1
157 1 10 LYS H 1 10 LYS QG . . 3.940 3.662 2.262 3.949 0.009 5 0 "[ . 1]" 1
158 1 10 LYS H 1 11 THR H . . 4.310 2.459 2.203 2.935 . 0 0 "[ . 1]" 1
159 1 10 LYS H 1 12 LEU H . . 4.610 4.029 3.588 4.498 . 0 0 "[ . 1]" 1
160 1 10 LYS H 1 56 GLU QB . . 4.710 4.306 3.634 4.709 . 0 0 "[ . 1]" 1
161 1 10 LYS HA 1 10 LYS QD . . 4.050 3.449 2.103 4.029 . 0 0 "[ . 1]" 1
162 1 10 LYS HA 1 10 LYS QE . . 4.290 3.707 2.279 4.270 . 0 0 "[ . 1]" 1
163 1 10 LYS HA 1 10 LYS QG . . 3.720 2.525 2.164 3.398 . 0 0 "[ . 1]" 1
164 1 10 LYS QB 1 11 THR H . . 3.970 2.885 2.344 3.572 . 0 0 "[ . 1]" 1
165 1 10 LYS QB 1 12 LEU H . . 5.500 4.881 4.491 5.446 . 0 0 "[ . 1]" 1
166 1 10 LYS QG 1 11 THR H . . 4.530 3.870 2.123 4.390 . 0 0 "[ . 1]" 1
167 1 11 THR H 1 11 THR MG . . 4.300 3.653 2.176 3.864 . 0 0 "[ . 1]" 1
168 1 11 THR H 1 12 LEU H . . 3.680 2.337 2.015 2.709 . 0 0 "[ . 1]" 1
169 1 11 THR HA 1 11 THR MG . . 3.600 2.290 2.133 2.383 . 0 0 "[ . 1]" 1
170 1 11 THR HB 1 12 LEU H . . 4.000 2.702 2.396 3.617 . 0 0 "[ . 1]" 1
171 1 11 THR HB 1 12 LEU QD . . 5.440 4.695 3.372 4.992 . 0 0 "[ . 1]" 1
172 1 11 THR MG 1 12 LEU H . . 3.900 3.630 3.466 3.844 . 0 0 "[ . 1]" 1
173 1 12 LEU H 1 12 LEU QD . . 4.330 3.711 3.350 3.930 . 0 0 "[ . 1]" 1
174 1 12 LEU H 1 13 LYS H . . 4.570 4.436 4.279 4.545 . 0 0 "[ . 1]" 1
175 1 12 LEU H 1 13 LYS QB . . 5.500 4.974 4.622 5.445 . 0 0 "[ . 1]" 1
176 1 12 LEU HA 1 12 LEU QD . . 4.250 3.076 2.808 3.356 . 0 0 "[ . 1]" 1
177 1 12 LEU HA 1 12 LEU HG . . 3.940 2.581 2.386 3.691 . 0 0 "[ . 1]" 1
178 1 12 LEU HA 1 13 LYS H . . 3.460 2.240 2.140 2.496 . 0 0 "[ . 1]" 1
179 1 12 LEU QD 1 13 LYS H . . 4.520 2.609 2.329 3.157 . 0 0 "[ . 1]" 1
180 1 12 LEU QD 1 14 GLY H . . 4.370 2.866 2.592 3.274 . 0 0 "[ . 1]" 1
181 1 12 LEU HG 1 13 LYS H . . 4.030 2.757 2.218 3.950 . 0 0 "[ . 1]" 1
182 1 13 LYS H 1 13 LYS QD . . 4.680 4.483 4.351 4.671 . 0 0 "[ . 1]" 1
183 1 13 LYS HA 1 13 LYS QG . . 3.920 2.498 2.415 2.635 . 0 0 "[ . 1]" 1
184 1 13 LYS HA 1 14 GLY H . . 3.450 2.155 2.145 2.172 . 0 0 "[ . 1]" 1
185 1 13 LYS QD 1 14 GLY H . . 4.230 3.683 3.257 4.078 . 0 0 "[ . 1]" 1
186 1 14 GLY QA 1 15 GLU H . . 3.060 2.187 2.119 2.280 . 0 0 "[ . 1]" 1
187 1 14 GLY QA 1 15 GLU HA . . 4.070 3.939 3.931 3.961 . 0 0 "[ . 1]" 1
188 1 14 GLY QA 1 16 THR MG . . 4.270 4.230 4.093 4.271 0.001 4 0 "[ . 1]" 1
189 1 14 GLY HA2 1 15 GLU H . . 3.500 2.318 2.153 2.676 . 0 0 "[ . 1]" 1
190 1 14 GLY HA2 1 15 GLU HA . . 4.660 4.477 4.401 4.636 . 0 0 "[ . 1]" 1
191 1 14 GLY HA3 1 15 GLU H . . 3.500 2.895 2.454 3.157 . 0 0 "[ . 1]" 1
192 1 14 GLY HA3 1 15 GLU HA . . 4.660 4.376 4.300 4.426 . 0 0 "[ . 1]" 1
193 1 15 GLU H 1 16 THR H . . 4.660 4.204 4.044 4.340 . 0 0 "[ . 1]" 1
194 1 15 GLU H 1 16 THR MG . . 3.890 3.583 3.030 3.890 0.000 8 0 "[ . 1]" 1
195 1 15 GLU HA 1 15 GLU QG . . 3.590 2.512 2.301 3.315 . 0 0 "[ . 1]" 1
196 1 15 GLU HA 1 16 THR H . . 3.360 2.164 2.141 2.220 . 0 0 "[ . 1]" 1
197 1 15 GLU QB 1 16 THR H . . 4.010 3.411 2.865 3.750 . 0 0 "[ . 1]" 1
198 1 16 THR H 1 16 THR MG . . 4.050 2.755 2.509 3.077 . 0 0 "[ . 1]" 1
199 1 16 THR HA 1 16 THR MG . . 3.710 2.789 2.302 3.195 . 0 0 "[ . 1]" 1
200 1 16 THR HB 1 17 THR H . . 3.920 3.208 2.096 3.883 . 0 0 "[ . 1]" 1
201 1 16 THR MG 1 17 THR H . . 4.360 3.850 3.709 3.941 . 0 0 "[ . 1]" 1
202 1 17 THR H 1 17 THR MG . . 4.330 4.002 3.911 4.055 . 0 0 "[ . 1]" 1
203 1 17 THR H 1 18 THR HA . . 5.090 4.996 4.910 5.091 0.001 10 0 "[ . 1]" 1
204 1 17 THR HA 1 17 THR MG . . 3.400 2.281 2.231 2.327 . 0 0 "[ . 1]" 1
205 1 17 THR HB 1 18 THR H . . 3.950 3.682 3.460 3.831 . 0 0 "[ . 1]" 1
206 1 17 THR HB 1 18 THR MG . . 5.500 5.297 5.098 5.498 . 0 0 "[ . 1]" 1
207 1 17 THR MG 1 18 THR H . . 4.000 2.052 1.930 2.141 . 0 0 "[ . 1]" 1
208 1 17 THR MG 1 18 THR HA . . 3.550 3.536 3.505 3.551 0.001 10 0 "[ . 1]" 1
209 1 18 THR H 1 18 THR MG . . 4.280 2.546 2.255 2.735 . 0 0 "[ . 1]" 1
210 1 18 THR H 1 30 PHE QE . . 4.360 3.704 3.058 4.046 . 0 0 "[ . 1]" 1
211 1 18 THR HA 1 19 GLU H . . 3.180 2.353 2.251 2.391 . 0 0 "[ . 1]" 1
212 1 18 THR HB 1 19 GLU H . . 4.170 3.826 3.729 3.968 . 0 0 "[ . 1]" 1
213 1 18 THR MG 1 19 GLU H . . 4.240 3.530 3.368 3.727 . 0 0 "[ . 1]" 1
214 1 18 THR MG 1 19 GLU HA . . 4.770 4.183 4.069 4.285 . 0 0 "[ . 1]" 1
215 1 18 THR MG 1 19 GLU QB . . 5.070 4.736 4.596 4.876 . 0 0 "[ . 1]" 1
216 1 18 THR MG 1 30 PHE QE . . 3.940 2.519 1.952 3.115 . 0 0 "[ . 1]" 1
217 1 19 GLU H 1 19 GLU QB . . 3.470 2.293 2.165 2.358 . 0 0 "[ . 1]" 1
218 1 19 GLU H 1 20 ALA H . . 4.780 4.589 4.552 4.608 . 0 0 "[ . 1]" 1
219 1 19 GLU HA 1 19 GLU QG . . 3.660 2.319 2.219 2.468 . 0 0 "[ . 1]" 1
220 1 19 GLU HA 1 20 ALA H . . 3.280 2.293 2.201 2.327 . 0 0 "[ . 1]" 1
221 1 20 ALA HA 1 21 VAL H . . 3.170 2.582 2.322 2.703 . 0 0 "[ . 1]" 1
222 1 20 ALA HA 1 21 VAL QG . . 4.600 3.734 3.371 4.100 . 0 0 "[ . 1]" 1
223 1 20 ALA HA 1 26 ALA MB . . 5.000 4.217 4.000 4.378 . 0 0 "[ . 1]" 1
224 1 20 ALA MB 1 21 VAL H . . 3.450 2.170 1.933 2.653 . 0 0 "[ . 1]" 1
225 1 20 ALA MB 1 21 VAL QG . . 3.880 3.133 2.861 3.488 . 0 0 "[ . 1]" 1
226 1 20 ALA MB 1 22 ASP H . . 3.180 2.655 2.474 2.748 . 0 0 "[ . 1]" 1
227 1 20 ALA MB 1 25 THR HB . . 3.620 3.371 3.027 3.615 . 0 0 "[ . 1]" 1
228 1 20 ALA MB 1 26 ALA H . . 3.610 3.325 3.018 3.590 . 0 0 "[ . 1]" 1
229 1 20 ALA MB 1 26 ALA HA . . 3.790 2.929 2.637 3.133 . 0 0 "[ . 1]" 1
230 1 20 ALA MB 1 26 ALA MB . . 3.360 1.849 1.739 2.009 . 0 0 "[ . 1]" 1
231 1 20 ALA MB 1 29 VAL QG . . 4.300 3.973 3.455 4.300 0.000 3 0 "[ . 1]" 1
232 1 20 ALA MB 1 30 PHE QE . . 4.610 3.733 3.093 4.433 . 0 0 "[ . 1]" 1
233 1 21 VAL H 1 21 VAL HB . . 3.680 3.033 2.580 3.659 . 0 0 "[ . 1]" 1
234 1 21 VAL H 1 21 VAL QG . . 3.070 1.971 1.844 2.171 . 0 0 "[ . 1]" 1
235 1 21 VAL H 1 22 ASP H . . 3.480 2.569 2.173 2.917 . 0 0 "[ . 1]" 1
236 1 21 VAL HB 1 22 ASP H . . 3.930 3.419 2.327 3.960 0.030 7 0 "[ . 1]" 1
237 1 21 VAL QG 1 22 ASP H . . 3.110 2.335 1.921 3.110 . 0 0 "[ . 1]" 1
238 1 21 VAL QG 1 22 ASP HA . . 4.620 3.889 3.582 4.168 . 0 0 "[ . 1]" 1
239 1 21 VAL QG 1 22 ASP QB . . 4.570 2.586 2.339 3.061 . 0 0 "[ . 1]" 1
240 1 21 VAL QG 1 25 THR H . . 4.530 4.212 3.947 4.531 0.001 10 0 "[ . 1]" 1
241 1 21 VAL QG 1 25 THR HB . . 4.390 2.525 2.028 3.061 . 0 0 "[ . 1]" 1
242 1 22 ASP H 1 22 ASP QB . . 3.550 2.836 2.665 3.312 . 0 0 "[ . 1]" 1
243 1 22 ASP H 1 25 THR HA . . 5.500 5.165 4.832 5.303 . 0 0 "[ . 1]" 1
244 1 22 ASP H 1 25 THR HB . . 3.370 2.421 1.977 3.366 . 0 0 "[ . 1]" 1
245 1 22 ASP HA 1 23 ALA H . . 3.360 2.485 2.328 2.637 . 0 0 "[ . 1]" 1
246 1 22 ASP HA 1 23 ALA MB . . 4.900 4.164 4.050 4.278 . 0 0 "[ . 1]" 1
247 1 22 ASP QB 1 23 ALA H . . 3.180 2.537 1.938 3.180 . 0 0 "[ . 1]" 1
248 1 22 ASP QB 1 24 ALA H . . 3.610 2.941 2.550 3.514 . 0 0 "[ . 1]" 1
249 1 23 ALA H 1 23 ALA MB . . 3.430 2.129 2.043 2.246 . 0 0 "[ . 1]" 1
250 1 23 ALA H 1 24 ALA H . . 3.980 2.705 2.509 2.902 . 0 0 "[ . 1]" 1
251 1 23 ALA HA 1 25 THR H . . 4.610 4.280 3.982 4.587 . 0 0 "[ . 1]" 1
252 1 23 ALA HA 1 26 ALA MB . . 3.580 3.085 2.784 3.410 . 0 0 "[ . 1]" 1
253 1 23 ALA HA 1 27 GLU QB . . 4.790 4.521 4.205 4.771 . 0 0 "[ . 1]" 1
254 1 23 ALA MB 1 24 ALA HA . . 4.510 3.768 3.674 3.921 . 0 0 "[ . 1]" 1
255 1 23 ALA MB 1 27 GLU QB . . 4.330 4.110 3.869 4.332 0.002 8 0 "[ . 1]" 1
256 1 24 ALA H 1 24 ALA MB . . 2.970 2.150 2.025 2.252 . 0 0 "[ . 1]" 1
257 1 24 ALA H 1 26 ALA H . . 4.410 4.120 3.931 4.283 . 0 0 "[ . 1]" 1
258 1 24 ALA HA 1 27 GLU H . . 4.150 3.411 3.097 3.690 . 0 0 "[ . 1]" 1
259 1 24 ALA HA 1 27 GLU QB . . 4.090 2.834 2.093 3.560 . 0 0 "[ . 1]" 1
260 1 24 ALA MB 1 25 THR H . . 3.470 2.792 2.530 3.007 . 0 0 "[ . 1]" 1
261 1 25 THR H 1 25 THR HB . . 3.800 2.778 2.491 3.530 . 0 0 "[ . 1]" 1
262 1 25 THR H 1 26 ALA H . . 3.650 2.509 2.341 2.795 . 0 0 "[ . 1]" 1
263 1 25 THR H 1 26 ALA MB . . 4.590 4.186 3.992 4.438 . 0 0 "[ . 1]" 1
264 1 25 THR HA 1 25 THR MG . . 2.910 2.242 1.979 2.341 . 0 0 "[ . 1]" 1
265 1 25 THR HA 1 28 LYS QB . . 4.290 3.991 3.520 4.274 . 0 0 "[ . 1]" 1
266 1 25 THR HA 1 28 LYS QD . . 3.910 2.742 2.009 3.919 0.009 8 0 "[ . 1]" 1
267 1 25 THR HA 1 28 LYS QE . . 4.150 2.942 2.192 4.138 . 0 0 "[ . 1]" 1
268 1 25 THR HA 1 28 LYS HG2 . . 4.300 2.307 1.997 2.492 . 0 0 "[ . 1]" 1
269 1 25 THR HA 1 28 LYS QG . . 3.770 2.266 1.932 2.457 . 0 0 "[ . 1]" 1
270 1 25 THR HA 1 28 LYS HG3 . . 4.300 3.385 2.574 3.747 . 0 0 "[ . 1]" 1
271 1 25 THR HB 1 26 ALA H . . 3.750 2.893 2.442 3.464 . 0 0 "[ . 1]" 1
272 1 26 ALA H 1 26 ALA MB . . 3.450 2.161 2.094 2.256 . 0 0 "[ . 1]" 1
273 1 26 ALA H 1 27 GLU H . . 3.890 2.383 2.347 2.620 . 0 0 "[ . 1]" 1
274 1 26 ALA HA 1 29 VAL H . . 4.340 3.445 3.206 3.746 . 0 0 "[ . 1]" 1
275 1 26 ALA HA 1 29 VAL HB . . 4.050 2.829 2.561 3.230 . 0 0 "[ . 1]" 1
276 1 26 ALA HA 1 29 VAL MG1 . . 4.580 4.205 3.889 4.526 . 0 0 "[ . 1]" 1
277 1 26 ALA HA 1 29 VAL QG . . 3.790 2.999 2.541 3.435 . 0 0 "[ . 1]" 1
278 1 26 ALA HA 1 29 VAL MG2 . . 4.580 3.076 2.568 3.573 . 0 0 "[ . 1]" 1
279 1 26 ALA MB 1 27 GLU H . . 3.920 2.879 2.760 2.955 . 0 0 "[ . 1]" 1
280 1 26 ALA MB 1 27 GLU HA . . 4.550 3.809 3.764 3.871 . 0 0 "[ . 1]" 1
281 1 26 ALA MB 1 27 GLU QB . . 4.580 3.968 3.786 4.120 . 0 0 "[ . 1]" 1
282 1 26 ALA MB 1 29 VAL HB . . 5.060 4.147 3.852 4.550 . 0 0 "[ . 1]" 1
283 1 26 ALA MB 1 30 PHE QE . . 3.690 3.185 2.759 3.639 . 0 0 "[ . 1]" 1
284 1 27 GLU H 1 27 GLU HB2 . . 3.840 3.029 2.511 3.627 . 0 0 "[ . 1]" 1
285 1 27 GLU H 1 27 GLU QB . . 3.320 2.319 2.228 2.482 . 0 0 "[ . 1]" 1
286 1 27 GLU H 1 27 GLU HB3 . . 3.840 2.452 2.364 2.557 . 0 0 "[ . 1]" 1
287 1 27 GLU H 1 28 LYS H . . 3.800 2.542 2.353 2.790 . 0 0 "[ . 1]" 1
288 1 27 GLU HA 1 27 GLU QG . . 3.780 2.875 2.394 3.326 . 0 0 "[ . 1]" 1
289 1 27 GLU HA 1 45 TYR QD . . 5.500 5.368 4.383 5.501 0.001 9 0 "[ . 1]" 1
290 1 27 GLU QB 1 45 TYR QD . . 5.260 4.287 3.844 4.866 . 0 0 "[ . 1]" 1
291 1 28 LYS H 1 28 LYS QB . . 3.260 2.557 2.414 2.657 . 0 0 "[ . 1]" 1
292 1 28 LYS H 1 28 LYS QD . . 4.070 3.849 3.636 4.080 0.010 10 0 "[ . 1]" 1
293 1 28 LYS H 1 28 LYS QG . . 4.030 2.062 1.927 2.363 . 0 0 "[ . 1]" 1
294 1 28 LYS H 1 29 VAL H . . 3.860 2.522 2.405 2.745 . 0 0 "[ . 1]" 1
295 1 28 LYS HA 1 31 LYS H . . 4.340 3.784 3.554 3.969 . 0 0 "[ . 1]" 1
296 1 28 LYS HA 1 31 LYS QB . . 3.610 2.835 2.533 3.159 . 0 0 "[ . 1]" 1
297 1 28 LYS HA 1 31 LYS QD . . 4.560 3.697 2.207 4.560 0.000 2 0 "[ . 1]" 1
298 1 28 LYS QB 1 28 LYS QE . . 3.740 2.948 2.013 3.634 . 0 0 "[ . 1]" 1
299 1 28 LYS QE 1 28 LYS QG . . 3.420 2.196 2.051 2.402 . 0 0 "[ . 1]" 1
300 1 28 LYS QG 1 29 VAL H . . 4.400 2.228 2.030 2.410 . 0 0 "[ . 1]" 1
301 1 29 VAL H 1 29 VAL HB . . 3.400 2.509 2.488 2.541 . 0 0 "[ . 1]" 1
302 1 29 VAL H 1 29 VAL QG . . 3.450 2.269 2.189 2.334 . 0 0 "[ . 1]" 1
303 1 29 VAL H 1 30 PHE H . . 3.740 2.527 2.340 2.757 . 0 0 "[ . 1]" 1
304 1 29 VAL HA 1 29 VAL MG1 . . 3.610 2.313 2.292 2.355 . 0 0 "[ . 1]" 1
305 1 29 VAL HA 1 29 VAL QG . . 3.060 2.100 2.079 2.130 . 0 0 "[ . 1]" 1
306 1 29 VAL HA 1 29 VAL MG2 . . 3.610 2.409 2.363 2.432 . 0 0 "[ . 1]" 1
307 1 29 VAL HA 1 32 GLN HB2 . . 5.020 4.091 3.314 4.588 . 0 0 "[ . 1]" 1
308 1 29 VAL HA 1 32 GLN QB . . 4.360 3.419 3.122 4.106 . 0 0 "[ . 1]" 1
309 1 29 VAL HA 1 32 GLN HB3 . . 5.020 3.882 3.224 4.969 . 0 0 "[ . 1]" 1
310 1 29 VAL HB 1 30 PHE H . . 4.000 2.425 2.231 2.599 . 0 0 "[ . 1]" 1
311 1 29 VAL HB 1 30 PHE HA . . 5.410 4.212 4.170 4.256 . 0 0 "[ . 1]" 1
312 1 29 VAL QG 1 30 PHE H . . 3.990 3.127 2.987 3.233 . 0 0 "[ . 1]" 1
313 1 29 VAL QG 1 33 TYR H . . 4.490 4.118 3.917 4.325 . 0 0 "[ . 1]" 1
314 1 29 VAL QG 1 33 TYR QD . . 3.820 2.725 2.489 2.999 . 0 0 "[ . 1]" 1
315 1 29 VAL QG 1 33 TYR QE . . 3.790 2.232 1.935 3.147 . 0 0 "[ . 1]" 1
316 1 30 PHE H 1 30 PHE HB2 . . 4.190 2.214 2.166 2.256 . 0 0 "[ . 1]" 1
317 1 30 PHE H 1 30 PHE HB3 . . 3.840 3.512 3.479 3.534 . 0 0 "[ . 1]" 1
318 1 30 PHE H 1 31 LYS H . . 4.060 2.645 2.562 2.694 . 0 0 "[ . 1]" 1
319 1 30 PHE HB3 1 31 LYS H . . 4.300 3.683 3.596 3.849 . 0 0 "[ . 1]" 1
320 1 31 LYS H 1 31 LYS QB . . 3.540 2.227 2.132 2.283 . 0 0 "[ . 1]" 1
321 1 31 LYS H 1 31 LYS QD . . 5.160 4.213 3.682 4.551 . 0 0 "[ . 1]" 1
322 1 31 LYS H 1 31 LYS HG2 . . 4.800 4.170 2.704 4.483 . 0 0 "[ . 1]" 1
323 1 31 LYS H 1 31 LYS QG . . 4.120 3.651 2.602 4.037 . 0 0 "[ . 1]" 1
324 1 31 LYS H 1 31 LYS HG3 . . 4.800 4.143 3.020 4.633 . 0 0 "[ . 1]" 1
325 1 31 LYS H 1 32 GLN H . . 3.950 2.585 2.493 2.698 . 0 0 "[ . 1]" 1
326 1 31 LYS HA 1 31 LYS QD . . 4.220 3.724 2.674 4.156 . 0 0 "[ . 1]" 1
327 1 31 LYS HA 1 35 ASN QB . . 5.090 4.891 4.810 4.929 . 0 0 "[ . 1]" 1
328 1 31 LYS QB 1 32 GLN H . . 3.810 2.737 2.575 2.895 . 0 0 "[ . 1]" 1
329 1 31 LYS QG 1 32 GLN H . . 4.490 4.093 3.507 4.463 . 0 0 "[ . 1]" 1
330 1 32 GLN H 1 32 GLN QB . . 3.190 2.257 2.207 2.286 . 0 0 "[ . 1]" 1
331 1 32 GLN H 1 32 GLN QE . . 4.080 4.084 4.068 4.095 0.015 1 0 "[ . 1]" 1
332 1 32 GLN H 1 33 TYR H . . 3.660 2.296 2.279 2.417 . 0 0 "[ . 1]" 1
333 1 32 GLN QB 1 32 GLN QE . . 3.880 2.179 1.902 3.423 . 0 0 "[ . 1]" 1
334 1 32 GLN QB 1 33 TYR H . . 3.810 3.014 2.994 3.035 . 0 0 "[ . 1]" 1
335 1 33 TYR H 1 34 PHE H . . 3.660 2.991 2.960 3.002 . 0 0 "[ . 1]" 1
336 1 33 TYR H 1 34 PHE QD . . 4.490 4.202 4.149 4.216 . 0 0 "[ . 1]" 1
337 1 33 TYR H 1 35 ASN H . . 4.210 3.770 3.749 3.775 . 0 0 "[ . 1]" 1
338 1 33 TYR HA 1 33 TYR QD . . 3.800 2.444 2.299 2.533 . 0 0 "[ . 1]" 1
339 1 33 TYR HA 1 34 PHE HA . . 4.850 4.681 4.670 4.690 . 0 0 "[ . 1]" 1
340 1 33 TYR HA 1 35 ASN QB . . 5.500 4.833 4.824 4.856 . 0 0 "[ . 1]" 1
341 1 34 PHE HB2 1 52 PHE QD . . 5.500 5.502 5.501 5.508 0.008 9 0 "[ . 1]" 1
342 1 34 PHE HB2 1 54 ILE MD . . 4.910 2.649 2.341 3.025 . 0 0 "[ . 1]" 1
343 1 34 PHE HB3 1 52 PHE QD . . 4.670 4.331 4.146 4.586 . 0 0 "[ . 1]" 1
344 1 34 PHE HB3 1 54 ILE MD . . 4.600 2.907 2.405 3.381 . 0 0 "[ . 1]" 1
345 1 34 PHE QD 1 39 ILE MD . . 4.990 3.796 2.665 4.938 . 0 0 "[ . 1]" 1
346 1 35 ASN H 1 36 ASP H . . 3.870 2.800 2.710 2.863 . 0 0 "[ . 1]" 1
347 1 36 ASP H 1 36 ASP QB . . 3.310 2.259 2.177 2.416 . 0 0 "[ . 1]" 1
348 1 36 ASP H 1 37 ASN H . . 4.070 2.593 2.355 2.772 . 0 0 "[ . 1]" 1
349 1 37 ASN H 1 37 ASN QB . . 3.690 2.337 2.161 2.547 . 0 0 "[ . 1]" 1
350 1 37 ASN QB 1 38 GLY H . . 4.280 3.067 3.060 3.100 . 0 0 "[ . 1]" 1
351 1 37 ASN QB 1 39 ILE H . . 4.570 2.937 2.485 3.236 . 0 0 "[ . 1]" 1
352 1 37 ASN QB 1 39 ILE MD . . 4.720 2.480 2.097 3.960 . 0 0 "[ . 1]" 1
353 1 39 ILE H 1 39 ILE HB . . 3.660 2.516 2.472 2.549 . 0 0 "[ . 1]" 1
354 1 39 ILE H 1 39 ILE HG12 . . 4.600 3.461 2.111 4.512 . 0 0 "[ . 1]" 1
355 1 39 ILE H 1 39 ILE QG . . 3.890 2.411 2.071 3.964 0.074 7 0 "[ . 1]" 1
356 1 39 ILE H 1 39 ILE HG13 . . 4.600 2.765 2.085 4.391 . 0 0 "[ . 1]" 1
357 1 39 ILE H 1 39 ILE MG . . 4.130 3.615 2.166 3.789 . 0 0 "[ . 1]" 1
358 1 39 ILE H 1 40 ASP H . . 4.680 4.476 4.311 4.627 . 0 0 "[ . 1]" 1
359 1 39 ILE HA 1 39 ILE MD . . 4.120 3.507 2.017 3.883 . 0 0 "[ . 1]" 1
360 1 39 ILE HA 1 39 ILE HG12 . . 4.240 2.787 2.629 3.111 . 0 0 "[ . 1]" 1
361 1 39 ILE HA 1 39 ILE QG . . 3.640 2.540 2.317 2.960 . 0 0 "[ . 1]" 1
362 1 39 ILE HA 1 39 ILE HG13 . . 4.240 2.985 2.422 3.711 . 0 0 "[ . 1]" 1
363 1 39 ILE HA 1 40 ASP H . . 3.270 2.165 2.140 2.250 . 0 0 "[ . 1]" 1
364 1 39 ILE HB 1 39 ILE MD . . 3.680 2.510 2.253 3.224 . 0 0 "[ . 1]" 1
365 1 39 ILE HB 1 40 ASP H . . 4.400 4.216 4.020 4.377 . 0 0 "[ . 1]" 1
366 1 39 ILE MD 1 54 ILE MD . . 4.240 2.888 2.187 4.115 . 0 0 "[ . 1]" 1
367 1 39 ILE MD 1 56 GLU QG . . 5.330 4.719 3.905 5.320 . 0 0 "[ . 1]" 1
368 1 39 ILE QG 1 39 ILE MG . . 3.230 2.247 2.207 2.283 . 0 0 "[ . 1]" 1
369 1 39 ILE QG 1 56 GLU QG . . 4.880 4.743 4.041 4.880 0.000 6 0 "[ . 1]" 1
370 1 39 ILE MG 1 40 ASP H . . 4.030 2.771 2.255 3.591 . 0 0 "[ . 1]" 1
371 1 39 ILE MG 1 40 ASP HA . . 4.380 3.907 3.752 4.113 . 0 0 "[ . 1]" 1
372 1 39 ILE MG 1 40 ASP QB . . 5.340 4.346 3.996 4.979 . 0 0 "[ . 1]" 1
373 1 39 ILE MG 1 41 GLY H . . 4.420 4.272 4.130 4.409 . 0 0 "[ . 1]" 1
374 1 39 ILE MG 1 41 GLY HA2 . . 5.430 5.149 5.034 5.434 0.004 7 0 "[ . 1]" 1
375 1 39 ILE MG 1 43 TRP HD1 . . 5.500 5.456 5.378 5.495 . 0 0 "[ . 1]" 1
376 1 39 ILE MG 1 54 ILE MD . . 3.990 2.581 2.356 2.895 . 0 0 "[ . 1]" 1
377 1 39 ILE MG 1 54 ILE QG . . 4.630 4.084 3.740 4.350 . 0 0 "[ . 1]" 1
378 1 39 ILE MG 1 54 ILE MG . . 3.660 2.123 1.809 2.670 . 0 0 "[ . 1]" 1
379 1 40 ASP H 1 40 ASP HB2 . . 3.820 2.902 2.328 3.706 . 0 0 "[ . 1]" 1
380 1 40 ASP H 1 40 ASP HB3 . . 3.820 2.977 2.445 3.674 . 0 0 "[ . 1]" 1
381 1 40 ASP H 1 41 GLY H . . 4.530 4.453 4.387 4.516 . 0 0 "[ . 1]" 1
382 1 40 ASP HA 1 41 GLY H . . 3.090 2.157 2.148 2.181 . 0 0 "[ . 1]" 1
383 1 40 ASP HA 1 43 TRP HD1 . . 4.980 4.698 4.525 4.978 . 0 0 "[ . 1]" 1
384 1 40 ASP QB 1 41 GLY H . . 3.820 3.464 3.154 3.779 . 0 0 "[ . 1]" 1
385 1 40 ASP HB2 1 41 GLY H . . 4.490 4.057 3.249 4.385 . 0 0 "[ . 1]" 1
386 1 40 ASP HB3 1 41 GLY H . . 4.490 3.903 3.263 4.316 . 0 0 "[ . 1]" 1
387 1 41 GLY HA2 1 54 ILE MG . . 4.550 4.321 3.822 4.506 . 0 0 "[ . 1]" 1
388 1 41 GLY HA2 1 56 GLU HA . . 4.090 2.938 2.318 3.371 . 0 0 "[ . 1]" 1
389 1 41 GLY HA2 1 56 GLU QG . . 4.740 4.085 3.525 4.604 . 0 0 "[ . 1]" 1
390 1 41 GLY HA3 1 42 GLU H . . 3.520 2.335 2.221 2.616 . 0 0 "[ . 1]" 1
391 1 41 GLY HA3 1 54 ILE MD . . 5.500 5.422 4.993 5.502 0.002 5 0 "[ . 1]" 1
392 1 41 GLY HA3 1 54 ILE MG . . 4.910 2.938 2.461 3.152 . 0 0 "[ . 1]" 1
393 1 41 GLY HA3 1 56 GLU QG . . 4.640 3.112 2.152 3.941 . 0 0 "[ . 1]" 1
394 1 42 GLU H 1 43 TRP H . . 4.590 4.140 4.038 4.328 . 0 0 "[ . 1]" 1
395 1 42 GLU H 1 55 THR HA . . 4.640 4.385 4.365 4.392 . 0 0 "[ . 1]" 1
396 1 42 GLU HB2 1 43 TRP H . . 4.670 4.545 4.491 4.618 . 0 0 "[ . 1]" 1
397 1 42 GLU HB2 1 55 THR H . . 4.610 4.101 3.827 4.230 . 0 0 "[ . 1]" 1
398 1 42 GLU HB2 1 55 THR HB . . 4.130 3.189 2.552 3.683 . 0 0 "[ . 1]" 1
399 1 42 GLU HB2 1 55 THR MG . . 4.830 4.556 3.985 4.831 0.001 7 0 "[ . 1]" 1
400 1 42 GLU HB3 1 55 THR HA . . 4.450 4.416 4.364 4.451 0.001 5 0 "[ . 1]" 1
401 1 42 GLU HB3 1 55 THR HB . . 4.740 2.326 2.064 3.087 . 0 0 "[ . 1]" 1
402 1 42 GLU HB3 1 55 THR MG . . 4.900 3.842 3.572 4.118 . 0 0 "[ . 1]" 1
403 1 42 GLU QG 1 44 THR MG . . 4.510 3.557 3.027 4.478 . 0 0 "[ . 1]" 1
404 1 43 TRP H 1 43 TRP QB . . 3.730 2.809 2.718 2.946 . 0 0 "[ . 1]" 1
405 1 43 TRP H 1 43 TRP HD1 . . 3.890 2.466 2.383 2.551 . 0 0 "[ . 1]" 1
406 1 43 TRP HA 1 43 TRP HD1 . . 4.550 4.344 4.245 4.410 . 0 0 "[ . 1]" 1
407 1 43 TRP HA 1 44 THR H . . 3.170 2.147 2.139 2.156 . 0 0 "[ . 1]" 1
408 1 43 TRP HA 1 54 ILE HA . . 3.820 2.621 2.369 3.122 . 0 0 "[ . 1]" 1
409 1 43 TRP HA 1 54 ILE QG . . 4.840 2.413 2.128 2.657 . 0 0 "[ . 1]" 1
410 1 43 TRP HA 1 54 ILE MG . . 4.850 3.183 2.787 3.550 . 0 0 "[ . 1]" 1
411 1 43 TRP HA 1 55 THR H . . 4.420 3.925 3.715 4.184 . 0 0 "[ . 1]" 1
412 1 43 TRP QB 1 44 THR H . . 3.810 3.229 3.152 3.360 . 0 0 "[ . 1]" 1
413 1 43 TRP QB 1 54 ILE MD . . 5.080 3.034 2.811 3.302 . 0 0 "[ . 1]" 1
414 1 43 TRP HD1 1 54 ILE MD . . 5.190 5.066 4.790 5.190 . 0 0 "[ . 1]" 1
415 1 43 TRP HD1 1 54 ILE MG . . 4.330 4.181 3.725 4.330 0.000 5 0 "[ . 1]" 1
416 1 44 THR H 1 54 ILE HA . . 4.230 3.708 3.458 3.956 . 0 0 "[ . 1]" 1
417 1 44 THR HA 1 44 THR MG . . 3.550 2.061 1.996 2.163 . 0 0 "[ . 1]" 1
418 1 44 THR HA 1 45 TYR H . . 3.030 2.378 2.187 2.513 . 0 0 "[ . 1]" 1
419 1 44 THR HB 1 45 TYR H . . 3.340 2.770 2.202 3.341 0.001 2 0 "[ . 1]" 1
420 1 44 THR MG 1 45 TYR H . . 3.790 2.850 1.895 3.416 . 0 0 "[ . 1]" 1
421 1 45 TYR H 1 45 TYR HB2 . . 3.780 3.527 2.332 3.679 . 0 0 "[ . 1]" 1
422 1 45 TYR H 1 45 TYR QB . . 3.110 2.888 2.303 3.000 . 0 0 "[ . 1]" 1
423 1 45 TYR H 1 45 TYR HB3 . . 3.780 3.163 3.013 3.568 . 0 0 "[ . 1]" 1
424 1 45 TYR H 1 46 ASP H . . 4.550 4.386 4.275 4.448 . 0 0 "[ . 1]" 1
425 1 45 TYR HA 1 46 ASP H . . 3.420 2.147 2.138 2.174 . 0 0 "[ . 1]" 1
426 1 45 TYR HA 1 52 PHE H . . 4.930 4.739 4.419 4.930 . 0 0 "[ . 1]" 1
427 1 45 TYR HA 1 52 PHE HA . . 3.750 2.363 2.030 2.697 . 0 0 "[ . 1]" 1
428 1 45 TYR QB 1 46 ASP H . . 4.380 3.234 3.043 3.385 . 0 0 "[ . 1]" 1
429 1 45 TYR QB 1 52 PHE HA . . 4.700 3.723 2.976 4.311 . 0 0 "[ . 1]" 1
430 1 46 ASP H 1 46 ASP HB2 . . 3.800 2.375 2.177 2.555 . 0 0 "[ . 1]" 1
431 1 46 ASP H 1 46 ASP QB . . 3.320 2.303 2.156 2.506 . 0 0 "[ . 1]" 1
432 1 46 ASP H 1 46 ASP HB3 . . 3.800 3.258 2.692 3.620 . 0 0 "[ . 1]" 1
433 1 46 ASP H 1 51 THR H . . 4.140 3.480 2.740 3.802 . 0 0 "[ . 1]" 1
434 1 46 ASP H 1 52 PHE HA . . 4.000 3.018 2.746 3.358 . 0 0 "[ . 1]" 1
435 1 46 ASP HA 1 47 ASP H . . 3.120 2.164 2.139 2.206 . 0 0 "[ . 1]" 1
436 1 46 ASP QB 1 47 ASP H . . 4.060 3.555 3.182 3.940 . 0 0 "[ . 1]" 1
437 1 46 ASP QB 1 51 THR H . . 3.840 2.333 1.928 2.997 . 0 0 "[ . 1]" 1
438 1 46 ASP QB 1 51 THR HB . . 3.760 2.770 2.015 3.712 . 0 0 "[ . 1]" 1
439 1 46 ASP HB2 1 51 THR HB . . 4.490 3.098 2.037 4.491 0.001 8 0 "[ . 1]" 1
440 1 46 ASP HB3 1 51 THR HB . . 4.490 3.578 2.640 4.490 . 0 0 "[ . 1]" 1
441 1 47 ASP H 1 47 ASP HB2 . . 3.630 2.948 2.276 3.601 . 0 0 "[ . 1]" 1
442 1 47 ASP H 1 47 ASP QB . . 3.140 2.371 2.186 2.776 . 0 0 "[ . 1]" 1
443 1 47 ASP H 1 47 ASP HB3 . . 3.630 2.616 2.304 2.887 . 0 0 "[ . 1]" 1
444 1 47 ASP H 1 48 ALA H . . 4.290 2.527 2.275 2.671 . 0 0 "[ . 1]" 1
445 1 47 ASP H 1 48 ALA MB . . 4.390 4.175 3.887 4.279 . 0 0 "[ . 1]" 1
446 1 47 ASP HA 1 50 LYS QD . . 4.820 3.490 2.146 4.653 . 0 0 "[ . 1]" 1
447 1 47 ASP QB 1 48 ALA H . . 3.640 3.223 2.941 3.616 . 0 0 "[ . 1]" 1
448 1 48 ALA H 1 48 ALA MB . . 2.930 2.173 2.034 2.231 . 0 0 "[ . 1]" 1
449 1 48 ALA H 1 49 THR H . . 3.490 3.101 2.701 3.224 . 0 0 "[ . 1]" 1
450 1 48 ALA H 1 49 THR MG . . 4.930 4.714 3.865 4.931 0.001 7 0 "[ . 1]" 1
451 1 48 ALA H 1 50 LYS H . . 4.240 3.761 3.620 3.937 . 0 0 "[ . 1]" 1
452 1 48 ALA HA 1 49 THR MG . . 4.810 4.176 3.818 4.817 0.007 8 0 "[ . 1]" 1
453 1 48 ALA MB 1 49 THR H . . 3.810 2.170 1.922 2.752 . 0 0 "[ . 1]" 1
454 1 48 ALA MB 1 49 THR HB . . 4.870 4.522 3.623 4.779 . 0 0 "[ . 1]" 1
455 1 48 ALA MB 1 49 THR MG . . 3.160 2.509 2.226 3.099 . 0 0 "[ . 1]" 1
456 1 48 ALA MB 1 50 LYS H . . 4.440 3.967 3.824 4.231 . 0 0 "[ . 1]" 1
457 1 49 THR H 1 49 THR HB . . 3.860 3.694 3.259 3.860 0.000 9 0 "[ . 1]" 1
458 1 49 THR H 1 49 THR MG . . 3.830 2.454 1.979 2.674 . 0 0 "[ . 1]" 1
459 1 49 THR H 1 50 LYS H . . 3.390 2.407 1.897 2.581 . 0 0 "[ . 1]" 1
460 1 49 THR H 1 51 THR H . . 3.410 3.276 3.113 3.412 0.002 8 0 "[ . 1]" 1
461 1 49 THR HA 1 49 THR MG . . 3.550 2.608 2.442 3.195 . 0 0 "[ . 1]" 1
462 1 50 LYS H 1 50 LYS QD . . 4.700 2.760 2.226 3.598 . 0 0 "[ . 1]" 1
463 1 50 LYS H 1 51 THR H . . 3.520 2.801 2.615 2.932 . 0 0 "[ . 1]" 1
464 1 50 LYS HA 1 50 LYS QD . . 4.000 2.711 2.032 3.385 . 0 0 "[ . 1]" 1
465 1 50 LYS HA 1 51 THR H . . 3.410 2.794 2.626 2.933 . 0 0 "[ . 1]" 1
466 1 50 LYS QB 1 51 THR H . . 4.240 3.847 3.772 3.904 . 0 0 "[ . 1]" 1
467 1 50 LYS QB 1 51 THR HA . . 4.290 4.264 4.226 4.291 0.001 7 0 "[ . 1]" 1
468 1 51 THR H 1 51 THR HB . . 3.420 2.594 2.503 2.744 . 0 0 "[ . 1]" 1
469 1 51 THR H 1 51 THR MG . . 3.890 3.832 3.794 3.873 . 0 0 "[ . 1]" 1
470 1 51 THR HA 1 51 THR MG . . 3.510 2.290 2.139 2.337 . 0 0 "[ . 1]" 1
471 1 51 THR MG 1 52 PHE H . . 4.010 2.498 2.061 2.873 . 0 0 "[ . 1]" 1
472 1 52 PHE QB 1 53 THR H . . 4.300 3.757 3.594 3.865 . 0 0 "[ . 1]" 1
473 1 53 THR H 1 53 THR HB . . 4.130 2.877 2.762 3.008 . 0 0 "[ . 1]" 1
474 1 53 THR H 1 53 THR MG . . 4.360 3.939 3.910 3.988 . 0 0 "[ . 1]" 1
475 1 53 THR HA 1 53 THR MG . . 3.440 2.214 2.120 2.363 . 0 0 "[ . 1]" 1
476 1 53 THR HA 1 54 ILE HA . . 4.960 4.415 4.379 4.444 . 0 0 "[ . 1]" 1
477 1 53 THR MG 1 54 ILE H . . 4.000 2.259 2.050 2.699 . 0 0 "[ . 1]" 1
478 1 53 THR MG 1 55 THR HA . . 5.110 4.303 4.036 4.695 . 0 0 "[ . 1]" 1
479 1 54 ILE H 1 54 ILE HB . . 4.190 2.677 2.515 2.760 . 0 0 "[ . 1]" 1
480 1 54 ILE H 1 54 ILE MG . . 4.110 3.861 3.791 3.894 . 0 0 "[ . 1]" 1
481 1 54 ILE HA 1 54 ILE MD . . 4.220 3.839 3.816 3.855 . 0 0 "[ . 1]" 1
482 1 54 ILE HA 1 55 THR H . . 3.330 2.184 2.140 2.228 . 0 0 "[ . 1]" 1
483 1 55 THR H 1 55 THR HB . . 3.830 3.002 2.807 3.418 . 0 0 "[ . 1]" 1
484 1 55 THR H 1 55 THR MG . . 4.360 3.801 3.614 3.956 . 0 0 "[ . 1]" 1
485 1 55 THR H 1 56 GLU H . . 4.340 4.120 3.914 4.282 . 0 0 "[ . 1]" 1
486 1 55 THR HA 1 55 THR MG . . 3.350 2.130 1.964 2.237 . 0 0 "[ . 1]" 1
487 1 55 THR HA 1 56 GLU H . . 3.160 2.185 2.155 2.196 . 0 0 "[ . 1]" 1
488 1 55 THR MG 1 56 GLU H . . 3.810 3.365 3.115 3.611 . 0 0 "[ . 1]" 1
489 1 56 GLU H 1 56 GLU QB . . 3.510 2.381 2.241 2.601 . 0 0 "[ . 1]" 1
490 1 56 GLU HA 1 56 GLU QG . . 3.700 2.454 2.202 3.178 . 0 0 "[ . 1]" 1
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