NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
451025 |
2rnz   |
11033 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rnz
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 783
_Distance_constraint_stats_list.Viol_count 609
_Distance_constraint_stats_list.Viol_total 190.753
_Distance_constraint_stats_list.Viol_max 0.218
_Distance_constraint_stats_list.Viol_rms 0.0064
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0006
_Distance_constraint_stats_list.Viol_average_violations_only 0.0157
_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 6 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 SER 0.012 0.012 4 0 "[ . 1 . 2]"
1 12 SER 0.013 0.012 4 0 "[ . 1 . 2]"
1 13 GLY 0.001 0.001 4 0 "[ . 1 . 2]"
1 14 LEU 0.195 0.067 19 0 "[ . 1 . 2]"
1 15 VAL 0.140 0.027 3 0 "[ . 1 . 2]"
1 16 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ARG 0.014 0.008 3 0 "[ . 1 . 2]"
1 18 GLY 0.123 0.089 15 0 "[ . 1 . 2]"
1 19 SER 0.139 0.089 15 0 "[ . 1 . 2]"
1 20 HIS 0.030 0.011 8 0 "[ . 1 . 2]"
1 21 MET 0.118 0.027 8 0 "[ . 1 . 2]"
1 22 SER 0.118 0.027 8 0 "[ . 1 . 2]"
1 23 VAL 1.091 0.126 13 0 "[ . 1 . 2]"
1 24 ASP 0.712 0.126 13 0 "[ . 1 . 2]"
1 25 ASP 0.141 0.074 14 0 "[ . 1 . 2]"
1 26 ILE 0.485 0.034 19 0 "[ . 1 . 2]"
1 27 ILE 0.103 0.020 11 0 "[ . 1 . 2]"
1 28 ILE 0.724 0.218 19 0 "[ . 1 . 2]"
1 29 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 CYS 0.007 0.004 13 0 "[ . 1 . 2]"
1 31 GLN 0.009 0.004 6 0 "[ . 1 . 2]"
1 32 CYS 0.057 0.016 14 0 "[ . 1 . 2]"
1 33 TRP 0.005 0.004 11 0 "[ . 1 . 2]"
1 34 VAL 0.031 0.005 5 0 "[ . 1 . 2]"
1 35 GLN 0.020 0.006 4 0 "[ . 1 . 2]"
1 36 LYS 0.000 0.000 18 0 "[ . 1 . 2]"
1 37 ASN 0.011 0.006 20 0 "[ . 1 . 2]"
1 38 ASP 0.003 0.003 5 0 "[ . 1 . 2]"
1 39 GLU 0.011 0.006 20 0 "[ . 1 . 2]"
1 40 GLU 0.020 0.006 4 0 "[ . 1 . 2]"
1 41 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 LEU 0.364 0.101 15 0 "[ . 1 . 2]"
1 43 ALA 0.316 0.101 15 0 "[ . 1 . 2]"
1 44 GLU 0.018 0.006 14 0 "[ . 1 . 2]"
1 45 ILE 0.230 0.020 11 0 "[ . 1 . 2]"
1 46 LEU 0.368 0.121 5 0 "[ . 1 . 2]"
1 47 SER 0.219 0.026 11 0 "[ . 1 . 2]"
1 48 ILE 0.203 0.032 13 0 "[ . 1 . 2]"
1 49 ASN 0.067 0.008 13 0 "[ . 1 . 2]"
1 50 THR 0.560 0.060 7 0 "[ . 1 . 2]"
1 51 ARG 0.425 0.043 8 0 "[ . 1 . 2]"
1 52 LYS 0.460 0.043 8 0 "[ . 1 . 2]"
1 53 ALA 1.906 0.160 6 0 "[ . 1 . 2]"
1 54 PRO 1.948 0.160 6 0 "[ . 1 . 2]"
1 55 PRO 0.771 0.060 7 0 "[ . 1 . 2]"
1 56 LYS 0.313 0.038 13 0 "[ . 1 . 2]"
1 57 PHE 0.241 0.032 13 0 "[ . 1 . 2]"
1 58 TYR 0.102 0.023 9 0 "[ . 1 . 2]"
1 59 VAL 0.178 0.022 11 0 "[ . 1 . 2]"
1 60 HIS 0.057 0.008 8 0 "[ . 1 . 2]"
1 61 TYR 0.008 0.004 7 0 "[ . 1 . 2]"
1 62 VAL 0.075 0.009 7 0 "[ . 1 . 2]"
1 66 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ARG 0.173 0.125 10 0 "[ . 1 . 2]"
1 68 LEU 0.041 0.028 10 0 "[ . 1 . 2]"
1 69 ASP 0.040 0.016 9 0 "[ . 1 . 2]"
1 70 GLU 0.115 0.024 9 0 "[ . 1 . 2]"
1 71 TRP 0.344 0.053 11 0 "[ . 1 . 2]"
1 72 ILE 0.178 0.024 10 0 "[ . 1 . 2]"
1 73 THR 0.024 0.010 15 0 "[ . 1 . 2]"
1 74 THR 0.265 0.022 10 0 "[ . 1 . 2]"
1 75 ASP 0.003 0.003 14 0 "[ . 1 . 2]"
1 76 ARG 0.260 0.081 18 0 "[ . 1 . 2]"
1 77 ILE 0.355 0.022 9 0 "[ . 1 . 2]"
1 78 ASN 0.040 0.006 1 0 "[ . 1 . 2]"
1 79 LEU 0.168 0.023 17 0 "[ . 1 . 2]"
1 80 ASP 0.016 0.005 8 0 "[ . 1 . 2]"
1 81 LYS 0.054 0.020 13 0 "[ . 1 . 2]"
1 82 GLU 0.088 0.029 15 0 "[ . 1 . 2]"
1 83 VAL 0.687 0.086 18 0 "[ . 1 . 2]"
1 84 LEU 0.022 0.009 15 0 "[ . 1 . 2]"
1 85 TYR 0.808 0.164 1 0 "[ . 1 . 2]"
1 86 PRO 0.181 0.164 1 0 "[ . 1 . 2]"
1 87 LYS 0.149 0.073 5 0 "[ . 1 . 2]"
1 88 LEU 0.064 0.031 16 0 "[ . 1 . 2]"
1 89 LYS 0.002 0.002 15 0 "[ . 1 . 2]"
1 90 ALA 0.010 0.007 19 0 "[ . 1 . 2]"
1 91 THR 0.003 0.003 19 0 "[ . 1 . 2]"
1 92 ASP 0.017 0.017 3 0 "[ . 1 . 2]"
1 93 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 6 HIS H 1 6 HIS QB . . 3.580 2.681 2.247 3.296 . 0 0 "[ . 1 . 2]" 1
2 1 11 SER HA 1 12 SER H . . 3.440 2.374 2.137 3.452 0.012 4 0 "[ . 1 . 2]" 1
3 1 12 SER H 1 12 SER QB . . 3.620 2.671 2.243 3.280 . 0 0 "[ . 1 . 2]" 1
4 1 12 SER HA 1 13 GLY H . . 2.670 2.383 2.142 2.671 0.001 4 0 "[ . 1 . 2]" 1
5 1 13 GLY H 1 13 GLY QA . . 2.720 2.333 2.228 2.502 . 0 0 "[ . 1 . 2]" 1
6 1 13 GLY QA 1 14 LEU H . . 2.400 2.216 2.108 2.394 . 0 0 "[ . 1 . 2]" 1
7 1 14 LEU H 1 14 LEU MD1 . . 5.500 3.675 2.617 4.439 . 0 0 "[ . 1 . 2]" 1
8 1 14 LEU H 1 14 LEU MD2 . . 5.500 4.156 3.261 4.568 . 0 0 "[ . 1 . 2]" 1
9 1 14 LEU HA 1 14 LEU QD . . 2.810 2.354 1.876 2.805 . 0 0 "[ . 1 . 2]" 1
10 1 14 LEU HA 1 14 LEU HG . . 3.570 2.848 2.356 3.637 0.067 19 0 "[ . 1 . 2]" 1
11 1 14 LEU QB 1 14 LEU QD . . 2.400 1.889 1.810 2.001 . 0 0 "[ . 1 . 2]" 1
12 1 14 LEU QB 1 15 VAL H . . 3.880 2.803 1.997 3.874 . 0 0 "[ . 1 . 2]" 1
13 1 14 LEU HB2 1 14 LEU MD1 . . 3.470 2.345 2.028 3.186 . 0 0 "[ . 1 . 2]" 1
14 1 14 LEU HB2 1 14 LEU MD2 . . 3.470 2.662 2.183 3.191 . 0 0 "[ . 1 . 2]" 1
15 1 14 LEU HB3 1 14 LEU MD1 . . 3.470 2.822 2.245 3.193 . 0 0 "[ . 1 . 2]" 1
16 1 14 LEU HB3 1 14 LEU MD2 . . 3.470 2.369 2.061 3.195 . 0 0 "[ . 1 . 2]" 1
17 1 14 LEU QD 1 15 VAL H . . 4.760 3.563 1.926 4.590 . 0 0 "[ . 1 . 2]" 1
18 1 14 LEU MD1 1 15 VAL H . . 5.500 3.988 1.940 5.488 . 0 0 "[ . 1 . 2]" 1
19 1 14 LEU MD2 1 15 VAL H . . 5.500 4.270 3.258 5.519 0.019 17 0 "[ . 1 . 2]" 1
20 1 15 VAL HA 1 15 VAL QG . . 3.010 2.208 2.042 2.335 . 0 0 "[ . 1 . 2]" 1
21 1 15 VAL HA 1 54 PRO HD2 . . 3.920 3.665 2.931 3.925 0.005 19 0 "[ . 1 . 2]" 1
22 1 15 VAL HA 1 54 PRO HD3 . . 2.640 2.335 1.980 2.592 . 0 0 "[ . 1 . 2]" 1
23 1 15 VAL HB 1 54 PRO HD2 . . 4.860 4.644 3.852 4.882 0.022 3 0 "[ . 1 . 2]" 1
24 1 15 VAL HB 1 54 PRO HD3 . . 4.970 3.025 2.466 3.757 . 0 0 "[ . 1 . 2]" 1
25 1 15 VAL QG 1 54 PRO QB . . 5.250 2.951 1.974 3.655 . 0 0 "[ . 1 . 2]" 1
26 1 15 VAL QG 1 54 PRO HD2 . . 5.440 3.402 2.172 4.597 . 0 0 "[ . 1 . 2]" 1
27 1 15 VAL QG 1 54 PRO HD3 . . 5.440 2.212 1.780 3.290 . 0 0 "[ . 1 . 2]" 1
28 1 15 VAL QG 1 55 PRO QD . . 4.630 4.348 3.509 4.657 0.027 3 0 "[ . 1 . 2]" 1
29 1 16 PRO QD 1 53 ALA MB . . 5.500 4.913 4.096 5.476 . 0 0 "[ . 1 . 2]" 1
30 1 16 PRO QD 1 54 PRO HA . . 5.100 4.303 3.543 5.097 . 0 0 "[ . 1 . 2]" 1
31 1 16 PRO QD 1 54 PRO HB2 . . 4.630 3.888 3.044 4.606 . 0 0 "[ . 1 . 2]" 1
32 1 16 PRO QD 1 54 PRO QB . . 4.070 2.633 1.933 3.539 . 0 0 "[ . 1 . 2]" 1
33 1 16 PRO QD 1 54 PRO HB3 . . 4.630 2.688 1.949 3.678 . 0 0 "[ . 1 . 2]" 1
34 1 16 PRO QD 1 54 PRO HG2 . . 3.710 3.573 3.431 3.693 . 0 0 "[ . 1 . 2]" 1
35 1 16 PRO QD 1 54 PRO HG3 . . 2.520 2.160 1.961 2.393 . 0 0 "[ . 1 . 2]" 1
36 1 17 ARG HA 1 17 ARG QB . . 2.560 2.370 2.177 2.500 . 0 0 "[ . 1 . 2]" 1
37 1 17 ARG HA 1 17 ARG QG . . 3.610 2.604 2.113 3.343 . 0 0 "[ . 1 . 2]" 1
38 1 17 ARG HA 1 18 GLY H . . 2.580 2.362 2.145 2.588 0.008 3 0 "[ . 1 . 2]" 1
39 1 18 GLY H 1 19 SER H . . 4.730 3.276 2.296 4.570 . 0 0 "[ . 1 . 2]" 1
40 1 18 GLY QA 1 19 SER H . . 2.550 2.358 2.110 2.639 0.089 15 0 "[ . 1 . 2]" 1
41 1 19 SER H 1 19 SER QB . . 3.220 2.680 2.215 3.175 . 0 0 "[ . 1 . 2]" 1
42 1 19 SER HA 1 20 HIS H . . 3.150 2.598 2.143 2.985 . 0 0 "[ . 1 . 2]" 1
43 1 19 SER QB 1 20 HIS H . . 3.790 3.367 1.940 3.801 0.011 8 0 "[ . 1 . 2]" 1
44 1 20 HIS H 1 20 HIS QB . . 3.610 2.627 2.218 3.244 . 0 0 "[ . 1 . 2]" 1
45 1 20 HIS HA 1 20 HIS QB . . 2.640 2.381 2.178 2.516 . 0 0 "[ . 1 . 2]" 1
46 1 20 HIS QB 1 21 MET H . . 4.360 2.748 1.932 4.016 . 0 0 "[ . 1 . 2]" 1
47 1 21 MET H 1 21 MET QB . . 3.000 2.568 2.241 3.016 0.016 8 0 "[ . 1 . 2]" 1
48 1 21 MET H 1 21 MET QG . . 3.260 2.723 1.931 3.261 0.001 18 0 "[ . 1 . 2]" 1
49 1 21 MET H 1 22 SER H . . 4.730 4.496 4.420 4.557 . 0 0 "[ . 1 . 2]" 1
50 1 21 MET HA 1 21 MET QB . . 2.650 2.348 2.173 2.494 . 0 0 "[ . 1 . 2]" 1
51 1 21 MET HA 1 21 MET QG . . 3.960 2.704 2.162 3.405 . 0 0 "[ . 1 . 2]" 1
52 1 21 MET HA 1 22 SER H . . 2.700 2.446 2.343 2.679 . 0 0 "[ . 1 . 2]" 1
53 1 21 MET HA 1 79 LEU QD . . 5.440 3.737 2.420 4.955 . 0 0 "[ . 1 . 2]" 1
54 1 21 MET HA 1 79 LEU HG . . 5.500 4.470 2.460 5.511 0.011 17 0 "[ . 1 . 2]" 1
55 1 21 MET HA 1 83 VAL QG . . 5.440 4.467 2.389 5.443 0.003 13 0 "[ . 1 . 2]" 1
56 1 21 MET QB 1 22 SER H . . 2.510 2.341 1.923 2.537 0.027 8 0 "[ . 1 . 2]" 1
57 1 21 MET QB 1 79 LEU MD1 . . 5.010 2.917 1.871 3.758 . 0 0 "[ . 1 . 2]" 1
58 1 21 MET QB 1 79 LEU QD . . 4.100 2.228 1.790 3.328 . 0 0 "[ . 1 . 2]" 1
59 1 21 MET QB 1 79 LEU MD2 . . 5.010 2.635 1.794 3.843 . 0 0 "[ . 1 . 2]" 1
60 1 21 MET QG 1 22 SER H . . 4.680 3.964 3.453 4.431 . 0 0 "[ . 1 . 2]" 1
61 1 21 MET QG 1 79 LEU QD . . 4.680 3.387 2.676 4.213 . 0 0 "[ . 1 . 2]" 1
62 1 21 MET QG 1 83 VAL MG1 . . 5.210 3.944 2.328 5.210 0.000 3 0 "[ . 1 . 2]" 1
63 1 21 MET QG 1 83 VAL QG . . 4.450 3.328 2.321 4.440 . 0 0 "[ . 1 . 2]" 1
64 1 21 MET QG 1 83 VAL MG2 . . 5.210 4.361 2.639 5.219 0.009 10 0 "[ . 1 . 2]" 1
65 1 22 SER H 1 22 SER QB . . 3.010 2.810 2.613 3.017 0.007 17 0 "[ . 1 . 2]" 1
66 1 22 SER HA 1 22 SER QB . . 2.650 2.306 2.182 2.478 . 0 0 "[ . 1 . 2]" 1
67 1 22 SER HA 1 23 VAL H . . 2.700 2.329 2.156 2.693 . 0 0 "[ . 1 . 2]" 1
68 1 22 SER HA 1 79 LEU MD1 . . 5.020 4.604 3.653 5.032 0.012 8 0 "[ . 1 . 2]" 1
69 1 22 SER HA 1 79 LEU QD . . 4.180 3.500 2.431 4.191 0.011 6 0 "[ . 1 . 2]" 1
70 1 22 SER HA 1 79 LEU MD2 . . 5.020 3.754 2.439 4.845 . 0 0 "[ . 1 . 2]" 1
71 1 22 SER QB 1 23 VAL H . . 3.300 2.825 1.965 3.213 . 0 0 "[ . 1 . 2]" 1
72 1 22 SER QB 1 24 ASP H . . 4.690 2.743 2.135 3.225 . 0 0 "[ . 1 . 2]" 1
73 1 23 VAL H 1 23 VAL HB . . 2.980 2.616 2.448 2.820 . 0 0 "[ . 1 . 2]" 1
74 1 23 VAL H 1 23 VAL QG . . 2.400 2.072 1.900 2.301 . 0 0 "[ . 1 . 2]" 1
75 1 23 VAL H 1 24 ASP H . . 2.710 2.468 2.298 2.713 0.003 20 0 "[ . 1 . 2]" 1
76 1 23 VAL H 1 79 LEU QD . . 4.200 3.876 2.834 4.213 0.013 10 0 "[ . 1 . 2]" 1
77 1 23 VAL HA 1 23 VAL MG1 . . 3.310 2.847 2.228 3.200 . 0 0 "[ . 1 . 2]" 1
78 1 23 VAL HA 1 23 VAL MG2 . . 3.310 2.333 2.192 2.598 . 0 0 "[ . 1 . 2]" 1
79 1 23 VAL HA 1 25 ASP H . . 5.430 3.460 3.315 3.716 . 0 0 "[ . 1 . 2]" 1
80 1 23 VAL HA 1 26 ILE HB . . 4.700 3.326 2.372 4.339 . 0 0 "[ . 1 . 2]" 1
81 1 23 VAL HA 1 26 ILE MD . . 3.360 2.393 1.947 3.221 . 0 0 "[ . 1 . 2]" 1
82 1 23 VAL HA 1 26 ILE QG . . 4.390 2.650 2.235 3.398 . 0 0 "[ . 1 . 2]" 1
83 1 23 VAL HA 1 79 LEU MD1 . . 4.690 3.447 2.455 4.244 . 0 0 "[ . 1 . 2]" 1
84 1 23 VAL HA 1 79 LEU QD . . 4.110 2.984 2.172 3.625 . 0 0 "[ . 1 . 2]" 1
85 1 23 VAL HA 1 79 LEU MD2 . . 4.690 3.519 2.421 4.680 . 0 0 "[ . 1 . 2]" 1
86 1 23 VAL HB 1 24 ASP H . . 4.250 3.692 2.681 4.268 0.018 8 0 "[ . 1 . 2]" 1
87 1 23 VAL HB 1 26 ILE HB . . 5.500 4.937 4.121 5.534 0.034 19 0 "[ . 1 . 2]" 1
88 1 23 VAL HB 1 26 ILE MD . . 4.680 3.961 3.209 4.682 0.002 16 0 "[ . 1 . 2]" 1
89 1 23 VAL HB 1 55 PRO HG2 . . 4.260 3.913 3.339 4.271 0.011 16 0 "[ . 1 . 2]" 1
90 1 23 VAL HB 1 55 PRO QG . . 3.490 3.441 3.226 3.518 0.028 9 0 "[ . 1 . 2]" 1
91 1 23 VAL HB 1 55 PRO HG3 . . 4.260 3.919 3.524 4.282 0.022 11 0 "[ . 1 . 2]" 1
92 1 23 VAL HB 1 79 LEU QD . . 4.710 4.457 3.831 4.733 0.023 17 0 "[ . 1 . 2]" 1
93 1 23 VAL QG 1 24 ASP H . . 3.240 2.861 2.239 3.366 0.126 13 0 "[ . 1 . 2]" 1
94 1 23 VAL QG 1 26 ILE MD . . 3.380 2.358 1.698 3.388 0.008 3 0 "[ . 1 . 2]" 1
95 1 23 VAL QG 1 55 PRO QB . . 5.280 3.642 2.886 4.682 . 0 0 "[ . 1 . 2]" 1
96 1 23 VAL QG 1 55 PRO QG . . 4.440 2.989 1.885 3.712 . 0 0 "[ . 1 . 2]" 1
97 1 23 VAL QG 1 79 LEU QD . . 5.370 3.297 1.807 4.286 . 0 0 "[ . 1 . 2]" 1
98 1 24 ASP H 1 24 ASP HB2 . . 2.900 2.391 2.232 2.622 . 0 0 "[ . 1 . 2]" 1
99 1 24 ASP H 1 24 ASP QB . . 2.340 2.224 2.159 2.272 . 0 0 "[ . 1 . 2]" 1
100 1 24 ASP H 1 24 ASP HB3 . . 2.900 2.696 2.442 2.875 . 0 0 "[ . 1 . 2]" 1
101 1 24 ASP H 1 25 ASP H . . 2.680 2.629 2.548 2.687 0.007 1 0 "[ . 1 . 2]" 1
102 1 24 ASP HA 1 26 ILE H . . 4.610 3.648 3.428 4.384 . 0 0 "[ . 1 . 2]" 1
103 1 25 ASP H 1 25 ASP QB . . 2.400 2.344 2.260 2.474 0.074 14 0 "[ . 1 . 2]" 1
104 1 25 ASP H 1 26 ILE H . . 2.690 2.564 2.109 2.701 0.011 5 0 "[ . 1 . 2]" 1
105 1 25 ASP H 1 26 ILE HB . . 4.720 4.493 4.353 4.671 . 0 0 "[ . 1 . 2]" 1
106 1 25 ASP HA 1 25 ASP QB . . 2.680 2.409 2.167 2.483 . 0 0 "[ . 1 . 2]" 1
107 1 25 ASP QB 1 26 ILE H . . 4.560 3.605 2.971 3.955 . 0 0 "[ . 1 . 2]" 1
108 1 26 ILE H 1 26 ILE HB . . 2.700 2.606 2.477 2.729 0.029 4 0 "[ . 1 . 2]" 1
109 1 26 ILE H 1 26 ILE QG . . 2.920 2.698 2.285 2.924 0.004 8 0 "[ . 1 . 2]" 1
110 1 26 ILE H 1 26 ILE MG . . 4.020 3.830 3.776 3.881 . 0 0 "[ . 1 . 2]" 1
111 1 26 ILE HA 1 26 ILE MD . . 4.130 3.815 3.792 3.847 . 0 0 "[ . 1 . 2]" 1
112 1 26 ILE HA 1 26 ILE QG . . 3.630 2.394 2.364 2.421 . 0 0 "[ . 1 . 2]" 1
113 1 26 ILE HA 1 26 ILE MG . . 3.330 2.376 2.309 2.417 . 0 0 "[ . 1 . 2]" 1
114 1 26 ILE HA 1 27 ILE H . . 2.400 2.193 2.143 2.229 . 0 0 "[ . 1 . 2]" 1
115 1 26 ILE HA 1 27 ILE MG . . 4.760 3.554 3.419 3.692 . 0 0 "[ . 1 . 2]" 1
116 1 26 ILE HB 1 26 ILE MD . . 3.550 2.396 2.289 2.448 . 0 0 "[ . 1 . 2]" 1
117 1 26 ILE HB 1 27 ILE H . . 4.320 4.053 3.937 4.217 . 0 0 "[ . 1 . 2]" 1
118 1 26 ILE MD 1 26 ILE MG . . 2.990 1.966 1.901 2.087 . 0 0 "[ . 1 . 2]" 1
119 1 26 ILE MD 1 30 CYS QB . . 5.340 5.168 4.578 5.344 0.004 13 0 "[ . 1 . 2]" 1
120 1 26 ILE MD 1 45 ILE MD . . 3.800 3.740 3.434 3.814 0.014 13 0 "[ . 1 . 2]" 1
121 1 26 ILE MD 1 45 ILE HG13 . . 3.930 3.928 3.880 3.945 0.015 13 0 "[ . 1 . 2]" 1
122 1 26 ILE MD 1 79 LEU QD . . 3.790 2.023 1.718 2.909 . 0 0 "[ . 1 . 2]" 1
123 1 26 ILE QG 1 45 ILE HG13 . . 5.250 4.827 4.252 5.265 0.015 9 0 "[ . 1 . 2]" 1
124 1 26 ILE QG 1 48 ILE MD . . 5.340 4.734 3.569 5.346 0.006 13 0 "[ . 1 . 2]" 1
125 1 26 ILE QG 1 79 LEU QD . . 5.280 2.469 1.789 3.750 . 0 0 "[ . 1 . 2]" 1
126 1 26 ILE MG 1 27 ILE H . . 2.720 2.306 1.975 2.651 . 0 0 "[ . 1 . 2]" 1
127 1 26 ILE MG 1 30 CYS QB . . 5.100 3.116 2.632 3.333 . 0 0 "[ . 1 . 2]" 1
128 1 26 ILE MG 1 45 ILE MD . . 3.460 3.324 2.773 3.472 0.012 17 0 "[ . 1 . 2]" 1
129 1 26 ILE MG 1 45 ILE HG12 . . 4.330 3.937 3.400 4.253 . 0 0 "[ . 1 . 2]" 1
130 1 26 ILE MG 1 45 ILE HG13 . . 3.140 2.574 2.207 2.847 . 0 0 "[ . 1 . 2]" 1
131 1 26 ILE MG 1 45 ILE MG . . 3.600 2.757 2.503 3.049 . 0 0 "[ . 1 . 2]" 1
132 1 26 ILE MG 1 48 ILE QG . . 4.810 3.702 3.021 4.779 . 0 0 "[ . 1 . 2]" 1
133 1 27 ILE H 1 27 ILE HG12 . . 3.340 2.200 2.077 2.363 . 0 0 "[ . 1 . 2]" 1
134 1 27 ILE H 1 27 ILE MG . . 2.850 2.682 2.331 2.855 0.005 16 0 "[ . 1 . 2]" 1
135 1 27 ILE H 1 30 CYS QB . . 4.880 3.047 2.535 3.784 . 0 0 "[ . 1 . 2]" 1
136 1 27 ILE H 1 45 ILE HG13 . . 5.500 5.051 4.148 5.520 0.020 11 0 "[ . 1 . 2]" 1
137 1 27 ILE HA 1 27 ILE HB . . 2.980 2.411 2.409 2.413 . 0 0 "[ . 1 . 2]" 1
138 1 27 ILE HA 1 27 ILE MD . . 4.690 4.169 4.158 4.181 . 0 0 "[ . 1 . 2]" 1
139 1 27 ILE HA 1 27 ILE MG . . 2.670 2.354 2.306 2.404 . 0 0 "[ . 1 . 2]" 1
140 1 27 ILE HA 1 28 ILE H . . 2.720 2.665 2.658 2.670 . 0 0 "[ . 1 . 2]" 1
141 1 27 ILE HB 1 27 ILE MD . . 3.060 2.391 2.355 2.454 . 0 0 "[ . 1 . 2]" 1
142 1 27 ILE HB 1 28 ILE H . . 2.400 1.955 1.947 1.968 . 0 0 "[ . 1 . 2]" 1
143 1 27 ILE MD 1 28 ILE HA . . 5.330 5.269 5.185 5.339 0.009 18 0 "[ . 1 . 2]" 1
144 1 27 ILE MD 1 28 ILE QG . . 5.340 5.143 4.875 5.331 . 0 0 "[ . 1 . 2]" 1
145 1 27 ILE HG13 1 28 ILE H . . 2.850 2.849 2.836 2.854 0.004 19 0 "[ . 1 . 2]" 1
146 1 27 ILE HG13 1 30 CYS H . . 4.340 3.864 3.370 4.330 . 0 0 "[ . 1 . 2]" 1
147 1 27 ILE HG13 1 30 CYS HB2 . . 5.500 2.240 1.999 2.705 . 0 0 "[ . 1 . 2]" 1
148 1 27 ILE HG13 1 30 CYS QB . . 4.820 2.227 1.991 2.679 . 0 0 "[ . 1 . 2]" 1
149 1 27 ILE HG13 1 30 CYS HB3 . . 5.500 3.942 3.712 4.333 . 0 0 "[ . 1 . 2]" 1
150 1 28 ILE H 1 28 ILE HB . . 2.750 2.636 2.500 2.709 . 0 0 "[ . 1 . 2]" 1
151 1 28 ILE H 1 28 ILE QG . . 3.600 2.188 2.064 2.327 . 0 0 "[ . 1 . 2]" 1
152 1 28 ILE HA 1 28 ILE MD . . 3.600 2.355 2.017 3.818 0.218 19 0 "[ . 1 . 2]" 1
153 1 28 ILE HA 1 28 ILE MG . . 3.160 2.231 2.146 2.405 . 0 0 "[ . 1 . 2]" 1
154 1 28 ILE HA 1 29 LYS H . . 2.400 2.259 2.187 2.319 . 0 0 "[ . 1 . 2]" 1
155 1 28 ILE HA 1 30 CYS H . . 3.800 3.497 3.230 3.786 . 0 0 "[ . 1 . 2]" 1
156 1 28 ILE HA 1 45 ILE HB . . 4.090 3.502 3.013 3.813 . 0 0 "[ . 1 . 2]" 1
157 1 28 ILE HA 1 45 ILE MG . . 3.170 2.770 2.389 3.088 . 0 0 "[ . 1 . 2]" 1
158 1 28 ILE HA 1 48 ILE MD . . 4.880 4.025 3.319 4.884 0.004 5 0 "[ . 1 . 2]" 1
159 1 28 ILE HA 1 48 ILE QG . . 5.180 4.343 3.780 5.035 . 0 0 "[ . 1 . 2]" 1
160 1 28 ILE HB 1 28 ILE MD . . 3.280 3.112 2.447 3.231 . 0 0 "[ . 1 . 2]" 1
161 1 28 ILE HB 1 29 LYS H . . 4.480 3.754 3.554 3.948 . 0 0 "[ . 1 . 2]" 1
162 1 28 ILE MD 1 28 ILE MG . . 2.560 2.033 1.891 2.159 . 0 0 "[ . 1 . 2]" 1
163 1 28 ILE MD 1 47 SER H . . 5.500 4.775 3.995 5.514 0.014 16 0 "[ . 1 . 2]" 1
164 1 28 ILE MD 1 47 SER HA . . 4.260 2.856 2.070 3.388 . 0 0 "[ . 1 . 2]" 1
165 1 28 ILE MD 1 47 SER QB . . 5.340 4.396 3.434 5.056 . 0 0 "[ . 1 . 2]" 1
166 1 28 ILE QG 1 28 ILE MG . . 2.970 2.261 2.198 2.393 . 0 0 "[ . 1 . 2]" 1
167 1 28 ILE QG 1 48 ILE MD . . 5.340 4.140 2.411 5.343 0.003 8 0 "[ . 1 . 2]" 1
168 1 28 ILE HG12 1 28 ILE MG . . 3.510 3.078 2.442 3.201 . 0 0 "[ . 1 . 2]" 1
169 1 28 ILE HG13 1 28 ILE MG . . 3.510 2.425 2.241 3.200 . 0 0 "[ . 1 . 2]" 1
170 1 28 ILE MG 1 29 LYS H . . 3.800 1.993 1.895 2.260 . 0 0 "[ . 1 . 2]" 1
171 1 28 ILE MG 1 29 LYS QB . . 5.030 3.436 2.719 3.622 . 0 0 "[ . 1 . 2]" 1
172 1 28 ILE MG 1 29 LYS QD . . 3.920 3.295 2.483 3.906 . 0 0 "[ . 1 . 2]" 1
173 1 28 ILE MG 1 29 LYS QE . . 4.790 3.792 2.660 4.739 . 0 0 "[ . 1 . 2]" 1
174 1 28 ILE MG 1 29 LYS QG . . 2.400 1.983 1.871 2.333 . 0 0 "[ . 1 . 2]" 1
175 1 28 ILE MG 1 30 CYS H . . 4.990 4.242 4.067 4.452 . 0 0 "[ . 1 . 2]" 1
176 1 28 ILE MG 1 47 SER H . . 5.500 4.608 4.126 4.943 . 0 0 "[ . 1 . 2]" 1
177 1 28 ILE MG 1 47 SER HA . . 3.540 3.492 3.157 3.566 0.026 11 0 "[ . 1 . 2]" 1
178 1 28 ILE MG 1 47 SER QB . . 5.340 4.642 3.759 5.119 . 0 0 "[ . 1 . 2]" 1
179 1 28 ILE MG 1 48 ILE QG . . 5.340 4.480 3.732 5.135 . 0 0 "[ . 1 . 2]" 1
180 1 29 LYS H 1 29 LYS HA . . 2.470 2.275 2.274 2.275 . 0 0 "[ . 1 . 2]" 1
181 1 29 LYS H 1 30 CYS H . . 3.580 2.664 2.612 2.776 . 0 0 "[ . 1 . 2]" 1
182 1 29 LYS H 1 45 ILE HB . . 4.050 3.296 2.616 3.651 . 0 0 "[ . 1 . 2]" 1
183 1 29 LYS H 1 45 ILE MG . . 4.020 3.380 3.074 3.594 . 0 0 "[ . 1 . 2]" 1
184 1 29 LYS HA 1 29 LYS HD2 . . 4.990 4.106 2.046 4.907 . 0 0 "[ . 1 . 2]" 1
185 1 29 LYS HA 1 29 LYS QD . . 4.360 3.528 2.035 4.178 . 0 0 "[ . 1 . 2]" 1
186 1 29 LYS HA 1 29 LYS HD3 . . 4.990 4.049 2.240 4.581 . 0 0 "[ . 1 . 2]" 1
187 1 29 LYS HA 1 29 LYS QG . . 3.410 2.551 2.297 3.044 . 0 0 "[ . 1 . 2]" 1
188 1 29 LYS HA 1 44 GLU QG . . 3.940 2.831 2.123 3.186 . 0 0 "[ . 1 . 2]" 1
189 1 29 LYS QB 1 44 GLU QG . . 5.180 4.099 3.368 4.505 . 0 0 "[ . 1 . 2]" 1
190 1 29 LYS HD2 1 29 LYS QG . . 2.590 2.317 2.157 2.475 . 0 0 "[ . 1 . 2]" 1
191 1 29 LYS HD3 1 29 LYS QG . . 2.590 2.322 2.155 2.468 . 0 0 "[ . 1 . 2]" 1
192 1 29 LYS QE 1 29 LYS QG . . 3.070 2.202 2.046 2.641 . 0 0 "[ . 1 . 2]" 1
193 1 30 CYS H 1 30 CYS HB2 . . 3.500 2.541 2.302 2.761 . 0 0 "[ . 1 . 2]" 1
194 1 30 CYS H 1 30 CYS QB . . 2.790 2.372 2.221 2.527 . 0 0 "[ . 1 . 2]" 1
195 1 30 CYS H 1 30 CYS HB3 . . 3.500 2.862 2.711 3.223 . 0 0 "[ . 1 . 2]" 1
196 1 30 CYS H 1 45 ILE HB . . 4.410 2.308 2.039 2.599 . 0 0 "[ . 1 . 2]" 1
197 1 30 CYS HA 1 31 GLN H . . 2.940 2.352 2.252 2.414 . 0 0 "[ . 1 . 2]" 1
198 1 30 CYS QB 1 31 GLN H . . 4.250 3.192 2.927 3.461 . 0 0 "[ . 1 . 2]" 1
199 1 30 CYS QB 1 45 ILE HG13 . . 5.340 3.282 2.674 3.779 . 0 0 "[ . 1 . 2]" 1
200 1 31 GLN H 1 31 GLN QB . . 3.460 2.647 2.269 2.768 . 0 0 "[ . 1 . 2]" 1
201 1 31 GLN H 1 31 GLN QG . . 4.300 2.258 1.939 3.938 . 0 0 "[ . 1 . 2]" 1
202 1 31 GLN HA 1 32 CYS H . . 2.400 2.145 2.139 2.178 . 0 0 "[ . 1 . 2]" 1
203 1 31 GLN HA 1 44 GLU HA . . 3.060 2.543 2.368 2.741 . 0 0 "[ . 1 . 2]" 1
204 1 31 GLN HA 1 45 ILE H . . 4.560 3.852 3.631 4.064 . 0 0 "[ . 1 . 2]" 1
205 1 31 GLN QB 1 32 CYS H . . 3.800 3.335 3.037 3.804 0.004 6 0 "[ . 1 . 2]" 1
206 1 31 GLN QB 1 42 LEU QD . . 3.840 2.619 2.071 3.493 . 0 0 "[ . 1 . 2]" 1
207 1 31 GLN QB 1 42 LEU HG . . 5.340 4.351 3.433 5.339 . 0 0 "[ . 1 . 2]" 1
208 1 31 GLN HG2 1 32 CYS HA . . 4.880 4.672 3.850 4.880 . 12 0 "[ . 1 . 2]" 1
209 1 31 GLN HG3 1 32 CYS HA . . 4.880 4.550 4.184 4.884 0.004 20 0 "[ . 1 . 2]" 1
210 1 32 CYS H 1 42 LEU QD . . 4.240 2.763 2.169 3.061 . 0 0 "[ . 1 . 2]" 1
211 1 32 CYS H 1 43 ALA H . . 4.730 3.621 3.366 3.799 . 0 0 "[ . 1 . 2]" 1
212 1 32 CYS H 1 43 ALA MB . . 5.190 4.336 4.045 4.512 . 0 0 "[ . 1 . 2]" 1
213 1 32 CYS H 1 44 GLU HA . . 3.730 2.715 2.445 2.915 . 0 0 "[ . 1 . 2]" 1
214 1 32 CYS HA 1 32 CYS QB . . 2.610 2.424 2.181 2.540 . 0 0 "[ . 1 . 2]" 1
215 1 32 CYS HA 1 33 TRP H . . 2.620 2.160 2.140 2.216 . 0 0 "[ . 1 . 2]" 1
216 1 32 CYS HA 1 42 LEU QD . . 5.010 3.908 3.439 4.494 . 0 0 "[ . 1 . 2]" 1
217 1 32 CYS HA 1 77 ILE MG . . 5.130 4.569 4.030 4.949 . 0 0 "[ . 1 . 2]" 1
218 1 32 CYS QB 1 33 TRP H . . 3.440 3.311 2.916 3.444 0.004 11 0 "[ . 1 . 2]" 1
219 1 32 CYS QB 1 77 ILE MD . . 5.280 3.899 3.254 4.439 . 0 0 "[ . 1 . 2]" 1
220 1 32 CYS QB 1 77 ILE MG . . 2.940 2.713 2.233 2.956 0.016 14 0 "[ . 1 . 2]" 1
221 1 33 TRP H 1 33 TRP QB . . 3.060 2.196 2.156 2.254 . 0 0 "[ . 1 . 2]" 1
222 1 33 TRP HA 1 33 TRP HZ3 . . 5.430 5.116 4.521 5.427 . 0 0 "[ . 1 . 2]" 1
223 1 33 TRP HA 1 34 VAL H . . 2.400 2.158 2.143 2.179 . 0 0 "[ . 1 . 2]" 1
224 1 33 TRP HA 1 42 LEU HA . . 3.000 2.466 2.199 2.872 . 0 0 "[ . 1 . 2]" 1
225 1 33 TRP HA 1 42 LEU QD . . 4.820 2.355 1.949 3.436 . 0 0 "[ . 1 . 2]" 1
226 1 33 TRP HE1 1 42 LEU QD . . 5.250 3.310 2.406 4.327 . 0 0 "[ . 1 . 2]" 1
227 1 33 TRP HZ2 1 42 LEU QD . . 4.700 3.377 2.423 4.090 . 0 0 "[ . 1 . 2]" 1
228 1 33 TRP HZ3 1 41 ARG H . . 4.900 4.446 4.056 4.824 . 0 0 "[ . 1 . 2]" 1
229 1 33 TRP HZ3 1 41 ARG HA . . 4.290 3.925 3.264 4.278 . 0 0 "[ . 1 . 2]" 1
230 1 34 VAL H 1 34 VAL HB . . 3.090 2.567 2.526 2.631 . 0 0 "[ . 1 . 2]" 1
231 1 34 VAL H 1 34 VAL MG1 . . 4.320 3.816 3.803 3.833 . 0 0 "[ . 1 . 2]" 1
232 1 34 VAL H 1 34 VAL QG . . 3.450 2.483 2.319 2.618 . 0 0 "[ . 1 . 2]" 1
233 1 34 VAL H 1 34 VAL MG2 . . 4.320 2.517 2.339 2.668 . 0 0 "[ . 1 . 2]" 1
234 1 34 VAL H 1 41 ARG H . . 4.110 3.839 3.616 4.026 . 0 0 "[ . 1 . 2]" 1
235 1 34 VAL H 1 42 LEU HA . . 4.480 2.311 2.053 2.699 . 0 0 "[ . 1 . 2]" 1
236 1 34 VAL H 1 43 ALA H . . 5.150 3.571 3.309 3.789 . 0 0 "[ . 1 . 2]" 1
237 1 34 VAL HA 1 34 VAL MG1 . . 3.260 2.311 2.235 2.380 . 0 0 "[ . 1 . 2]" 1
238 1 34 VAL HA 1 34 VAL QG . . 2.770 2.073 2.043 2.134 . 0 0 "[ . 1 . 2]" 1
239 1 34 VAL HA 1 34 VAL MG2 . . 3.260 2.345 2.277 2.423 . 0 0 "[ . 1 . 2]" 1
240 1 34 VAL HA 1 35 GLN H . . 2.400 2.147 2.143 2.148 . 0 0 "[ . 1 . 2]" 1
241 1 34 VAL HA 1 77 ILE HA . . 3.600 3.544 3.189 3.605 0.005 5 0 "[ . 1 . 2]" 1
242 1 34 VAL HA 1 77 ILE MG . . 5.450 4.344 3.461 4.769 . 0 0 "[ . 1 . 2]" 1
243 1 34 VAL HB 1 41 ARG H . . 4.720 3.281 2.995 3.582 . 0 0 "[ . 1 . 2]" 1
244 1 34 VAL HB 1 43 ALA MB . . 4.500 4.113 3.577 4.505 0.005 15 0 "[ . 1 . 2]" 1
245 1 34 VAL QG 1 35 GLN H . . 3.570 2.853 2.717 2.957 . 0 0 "[ . 1 . 2]" 1
246 1 34 VAL QG 1 41 ARG H . . 4.990 3.671 3.423 3.874 . 0 0 "[ . 1 . 2]" 1
247 1 34 VAL QG 1 41 ARG QB . . 5.080 2.916 2.519 3.914 . 0 0 "[ . 1 . 2]" 1
248 1 34 VAL QG 1 42 LEU H . . 5.150 4.104 3.778 4.588 . 0 0 "[ . 1 . 2]" 1
249 1 34 VAL QG 1 42 LEU HA . . 4.780 2.940 2.287 3.720 . 0 0 "[ . 1 . 2]" 1
250 1 34 VAL QG 1 43 ALA HA . . 5.440 4.135 3.544 5.026 . 0 0 "[ . 1 . 2]" 1
251 1 34 VAL QG 1 43 ALA MB . . 3.890 2.176 1.821 2.735 . 0 0 "[ . 1 . 2]" 1
252 1 34 VAL QG 1 76 ARG QB . . 4.880 3.258 2.237 4.102 . 0 0 "[ . 1 . 2]" 1
253 1 34 VAL QG 1 76 ARG QD . . 5.280 4.228 2.379 5.284 0.004 9 0 "[ . 1 . 2]" 1
254 1 34 VAL QG 1 77 ILE HA . . 4.110 3.479 3.048 3.863 . 0 0 "[ . 1 . 2]" 1
255 1 34 VAL QG 1 77 ILE QG . . 5.400 3.140 2.522 3.633 . 0 0 "[ . 1 . 2]" 1
256 1 34 VAL MG1 1 35 GLN H . . 4.720 2.908 2.753 3.021 . 0 0 "[ . 1 . 2]" 1
257 1 34 VAL MG1 1 77 ILE HA . . 4.720 3.945 3.539 4.291 . 0 0 "[ . 1 . 2]" 1
258 1 34 VAL MG2 1 35 GLN H . . 4.720 4.152 4.092 4.212 . 0 0 "[ . 1 . 2]" 1
259 1 34 VAL MG2 1 77 ILE HA . . 4.720 3.921 3.221 4.400 . 0 0 "[ . 1 . 2]" 1
260 1 35 GLN H 1 35 GLN QB . . 2.670 2.308 2.173 2.662 . 0 0 "[ . 1 . 2]" 1
261 1 35 GLN H 1 35 GLN QG . . 4.120 3.557 1.970 4.021 . 0 0 "[ . 1 . 2]" 1
262 1 35 GLN H 1 77 ILE HA . . 4.630 4.121 3.412 4.627 . 0 0 "[ . 1 . 2]" 1
263 1 35 GLN HA 1 36 LYS H . . 2.400 2.177 2.146 2.259 . 0 0 "[ . 1 . 2]" 1
264 1 35 GLN HA 1 40 GLU HA . . 3.270 3.168 2.888 3.276 0.006 4 0 "[ . 1 . 2]" 1
265 1 35 GLN HA 1 40 GLU HG2 . . 4.790 3.960 2.964 4.789 . 0 0 "[ . 1 . 2]" 1
266 1 35 GLN HA 1 40 GLU QG . . 4.210 3.192 2.891 3.664 . 0 0 "[ . 1 . 2]" 1
267 1 35 GLN HA 1 40 GLU HG3 . . 4.790 3.861 2.952 4.793 0.003 17 0 "[ . 1 . 2]" 1
268 1 35 GLN HA 1 41 ARG H . . 4.180 3.701 3.564 3.880 . 0 0 "[ . 1 . 2]" 1
269 1 35 GLN QB 1 35 GLN QG . . 2.360 2.075 2.018 2.086 . 0 0 "[ . 1 . 2]" 1
270 1 35 GLN QG 1 36 LYS H . . 4.170 3.634 3.256 4.170 0.000 18 0 "[ . 1 . 2]" 1
271 1 36 LYS H 1 36 LYS QB . . 2.590 2.259 2.097 2.585 . 0 0 "[ . 1 . 2]" 1
272 1 36 LYS H 1 40 GLU HA . . 4.040 2.623 2.345 3.176 . 0 0 "[ . 1 . 2]" 1
273 1 36 LYS H 1 40 GLU QG . . 3.720 3.561 3.304 3.719 . 0 0 "[ . 1 . 2]" 1
274 1 36 LYS HA 1 36 LYS QB . . 2.580 2.473 2.304 2.526 . 0 0 "[ . 1 . 2]" 1
275 1 36 LYS HA 1 36 LYS QD . . 3.590 2.450 1.978 3.567 . 0 0 "[ . 1 . 2]" 1
276 1 36 LYS HA 1 37 ASN H . . 2.550 2.422 2.420 2.426 . 0 0 "[ . 1 . 2]" 1
277 1 36 LYS QG 1 37 ASN H . . 4.430 2.806 1.972 4.357 . 0 0 "[ . 1 . 2]" 1
278 1 37 ASN H 1 37 ASN HA . . 2.850 2.756 2.751 2.759 . 0 0 "[ . 1 . 2]" 1
279 1 37 ASN H 1 38 ASP H . . 4.460 2.981 2.882 3.065 . 0 0 "[ . 1 . 2]" 1
280 1 37 ASN HA 1 37 ASN QB . . 2.640 2.402 2.313 2.470 . 0 0 "[ . 1 . 2]" 1
281 1 37 ASN QB 1 37 ASN QD . . 3.080 2.170 2.064 2.427 . 0 0 "[ . 1 . 2]" 1
282 1 37 ASN QB 1 38 ASP H . . 2.400 2.239 2.026 2.403 0.003 5 0 "[ . 1 . 2]" 1
283 1 37 ASN QB 1 39 GLU H . . 4.270 4.115 3.948 4.276 0.006 20 0 "[ . 1 . 2]" 1
284 1 38 ASP H 1 39 GLU H . . 2.530 2.243 2.133 2.314 . 0 0 "[ . 1 . 2]" 1
285 1 38 ASP HA 1 38 ASP QB . . 2.620 2.394 2.176 2.483 . 0 0 "[ . 1 . 2]" 1
286 1 39 GLU H 1 39 GLU QB . . 2.880 2.657 2.606 2.805 . 0 0 "[ . 1 . 2]" 1
287 1 39 GLU H 1 39 GLU QG . . 3.510 3.316 2.878 3.513 0.003 5 0 "[ . 1 . 2]" 1
288 1 39 GLU HA 1 39 GLU QG . . 3.580 2.497 2.170 2.819 . 0 0 "[ . 1 . 2]" 1
289 1 39 GLU HA 1 40 GLU H . . 2.700 2.549 2.425 2.628 . 0 0 "[ . 1 . 2]" 1
290 1 39 GLU QB 1 39 GLU QG . . 2.240 2.051 1.984 2.086 . 0 0 "[ . 1 . 2]" 1
291 1 39 GLU QB 1 40 GLU H . . 2.390 2.115 1.954 2.391 0.001 19 0 "[ . 1 . 2]" 1
292 1 40 GLU H 1 40 GLU QG . . 5.140 3.773 3.318 4.187 . 0 0 "[ . 1 . 2]" 1
293 1 40 GLU HA 1 40 GLU QB . . 2.610 2.473 2.394 2.537 . 0 0 "[ . 1 . 2]" 1
294 1 40 GLU HA 1 41 ARG H . . 2.400 2.144 2.138 2.156 . 0 0 "[ . 1 . 2]" 1
295 1 40 GLU QB 1 41 ARG H . . 3.890 3.414 3.176 3.718 . 0 0 "[ . 1 . 2]" 1
296 1 41 ARG HA 1 41 ARG QD . . 4.830 3.213 2.007 4.423 . 0 0 "[ . 1 . 2]" 1
297 1 41 ARG HA 1 41 ARG QG . . 3.620 2.508 2.101 3.430 . 0 0 "[ . 1 . 2]" 1
298 1 41 ARG QB 1 41 ARG QD . . 2.950 2.241 2.078 2.833 . 0 0 "[ . 1 . 2]" 1
299 1 42 LEU H 1 42 LEU HG . . 5.500 4.498 4.234 5.021 . 0 0 "[ . 1 . 2]" 1
300 1 42 LEU HA 1 42 LEU QD . . 2.930 2.370 1.921 2.939 0.009 7 0 "[ . 1 . 2]" 1
301 1 42 LEU HA 1 43 ALA H . . 2.400 2.190 2.149 2.244 . 0 0 "[ . 1 . 2]" 1
302 1 42 LEU QB 1 42 LEU QD . . 2.850 1.879 1.804 1.945 . 0 0 "[ . 1 . 2]" 1
303 1 42 LEU QB 1 62 VAL QG . . 5.280 4.259 3.093 4.907 . 0 0 "[ . 1 . 2]" 1
304 1 42 LEU QD 1 43 ALA H . . 5.320 2.211 1.873 2.658 . 0 0 "[ . 1 . 2]" 1
305 1 42 LEU QD 1 43 ALA MB . . 4.210 3.801 3.420 4.211 0.001 2 0 "[ . 1 . 2]" 1
306 1 42 LEU QD 1 44 GLU HA . . 5.440 4.024 3.590 4.580 . 0 0 "[ . 1 . 2]" 1
307 1 42 LEU QD 1 62 VAL QG . . 3.590 3.234 2.295 3.599 0.009 7 0 "[ . 1 . 2]" 1
308 1 42 LEU MD1 1 62 VAL MG1 . . 5.500 4.869 2.929 5.505 0.005 7 0 "[ . 1 . 2]" 1
309 1 42 LEU MD1 1 62 VAL MG2 . . 5.500 4.836 2.535 5.506 0.006 5 0 "[ . 1 . 2]" 1
310 1 42 LEU MD2 1 62 VAL MG1 . . 5.500 4.242 2.346 5.191 . 0 0 "[ . 1 . 2]" 1
311 1 42 LEU MD2 1 62 VAL MG2 . . 5.500 4.046 3.334 5.255 . 0 0 "[ . 1 . 2]" 1
312 1 42 LEU HG 1 43 ALA HA . . 5.500 4.211 3.404 5.601 0.101 15 0 "[ . 1 . 2]" 1
313 1 43 ALA H 1 43 ALA MB . . 2.830 2.590 2.532 2.646 . 0 0 "[ . 1 . 2]" 1
314 1 43 ALA HA 1 44 GLU H . . 2.550 2.426 2.259 2.530 . 0 0 "[ . 1 . 2]" 1
315 1 43 ALA HA 1 61 TYR HA . . 3.560 3.338 3.066 3.564 0.004 7 0 "[ . 1 . 2]" 1
316 1 43 ALA HA 1 62 VAL MG1 . . 5.500 4.317 3.730 5.100 . 0 0 "[ . 1 . 2]" 1
317 1 43 ALA HA 1 62 VAL QG . . 4.500 3.933 3.479 4.500 . 0 0 "[ . 1 . 2]" 1
318 1 43 ALA HA 1 62 VAL MG2 . . 5.500 4.603 3.870 5.507 0.007 9 0 "[ . 1 . 2]" 1
319 1 43 ALA MB 1 44 GLU H . . 2.820 2.418 2.122 2.733 . 0 0 "[ . 1 . 2]" 1
320 1 43 ALA MB 1 59 VAL HA . . 4.560 3.367 3.085 3.776 . 0 0 "[ . 1 . 2]" 1
321 1 43 ALA MB 1 59 VAL HB . . 2.860 2.227 2.012 2.480 . 0 0 "[ . 1 . 2]" 1
322 1 43 ALA MB 1 59 VAL MG1 . . 3.640 2.776 2.453 3.179 . 0 0 "[ . 1 . 2]" 1
323 1 43 ALA MB 1 59 VAL MG2 . . 3.730 3.439 3.006 3.690 . 0 0 "[ . 1 . 2]" 1
324 1 43 ALA MB 1 61 TYR HA . . 5.140 3.661 2.842 4.401 . 0 0 "[ . 1 . 2]" 1
325 1 44 GLU H 1 44 GLU HB2 . . 3.300 2.625 2.416 2.894 . 0 0 "[ . 1 . 2]" 1
326 1 44 GLU H 1 44 GLU HB3 . . 3.030 2.893 2.719 3.031 0.001 13 0 "[ . 1 . 2]" 1
327 1 44 GLU H 1 60 HIS H . . 4.460 2.420 2.116 2.855 . 0 0 "[ . 1 . 2]" 1
328 1 44 GLU HA 1 44 GLU QG . . 3.060 2.316 2.209 2.643 . 0 0 "[ . 1 . 2]" 1
329 1 44 GLU HA 1 45 ILE H . . 2.440 2.365 2.302 2.420 . 0 0 "[ . 1 . 2]" 1
330 1 44 GLU HA 1 45 ILE HG12 . . 5.240 3.516 3.384 3.579 . 0 0 "[ . 1 . 2]" 1
331 1 44 GLU HB2 1 60 HIS H . . 5.150 4.436 4.100 4.735 . 0 0 "[ . 1 . 2]" 1
332 1 44 GLU HB3 1 46 LEU QD . . 3.490 3.324 2.887 3.493 0.003 19 0 "[ . 1 . 2]" 1
333 1 44 GLU HB3 1 60 HIS H . . 4.790 3.676 3.428 3.847 . 0 0 "[ . 1 . 2]" 1
334 1 44 GLU HB3 1 60 HIS HB2 . . 4.810 4.123 2.982 4.816 0.006 14 0 "[ . 1 . 2]" 1
335 1 44 GLU HB3 1 60 HIS QB . . 4.170 2.569 2.101 3.139 . 0 0 "[ . 1 . 2]" 1
336 1 44 GLU HB3 1 60 HIS HB3 . . 4.810 2.599 2.112 3.181 . 0 0 "[ . 1 . 2]" 1
337 1 44 GLU QG 1 45 ILE H . . 4.080 2.061 1.921 2.246 . 0 0 "[ . 1 . 2]" 1
338 1 44 GLU HG2 1 45 ILE H . . 4.840 2.441 1.958 3.914 . 0 0 "[ . 1 . 2]" 1
339 1 44 GLU HG3 1 45 ILE H . . 4.840 2.795 1.950 3.359 . 0 0 "[ . 1 . 2]" 1
340 1 45 ILE H 1 45 ILE HB . . 2.820 2.559 2.526 2.651 . 0 0 "[ . 1 . 2]" 1
341 1 45 ILE H 1 45 ILE MD . . 4.170 3.531 3.379 3.649 . 0 0 "[ . 1 . 2]" 1
342 1 45 ILE H 1 45 ILE HG12 . . 2.970 2.506 2.309 2.608 . 0 0 "[ . 1 . 2]" 1
343 1 45 ILE H 1 45 ILE HG13 . . 4.740 3.886 3.765 3.954 . 0 0 "[ . 1 . 2]" 1
344 1 45 ILE H 1 45 ILE MG . . 4.190 3.812 3.802 3.835 . 0 0 "[ . 1 . 2]" 1
345 1 45 ILE HA 1 45 ILE MD . . 3.250 2.048 1.962 2.129 . 0 0 "[ . 1 . 2]" 1
346 1 45 ILE HA 1 45 ILE MG . . 3.450 2.305 2.192 2.386 . 0 0 "[ . 1 . 2]" 1
347 1 45 ILE HA 1 46 LEU H . . 2.500 2.152 2.140 2.190 . 0 0 "[ . 1 . 2]" 1
348 1 45 ILE HA 1 47 SER H . . 4.790 4.364 3.595 4.724 . 0 0 "[ . 1 . 2]" 1
349 1 45 ILE HA 1 59 VAL HA . . 5.500 3.112 2.879 3.242 . 0 0 "[ . 1 . 2]" 1
350 1 45 ILE HA 1 59 VAL MG1 . . 4.230 3.998 3.452 4.243 0.013 15 0 "[ . 1 . 2]" 1
351 1 45 ILE MD 1 45 ILE MG . . 2.830 2.030 1.939 2.120 . 0 0 "[ . 1 . 2]" 1
352 1 45 ILE MD 1 46 LEU H . . 4.920 3.584 3.409 3.778 . 0 0 "[ . 1 . 2]" 1
353 1 45 ILE MD 1 57 PHE HB2 . . 4.540 3.170 2.384 3.994 . 0 0 "[ . 1 . 2]" 1
354 1 45 ILE MD 1 57 PHE HB3 . . 4.590 2.528 1.991 3.360 . 0 0 "[ . 1 . 2]" 1
355 1 45 ILE MD 1 57 PHE QD . . 5.240 3.651 3.010 4.353 . 0 0 "[ . 1 . 2]" 1
356 1 45 ILE MD 1 59 VAL MG1 . . 3.060 2.686 2.295 3.041 . 0 0 "[ . 1 . 2]" 1
357 1 45 ILE HG12 1 45 ILE MG . . 3.650 3.192 3.183 3.201 . 0 0 "[ . 1 . 2]" 1
358 1 45 ILE HG13 1 45 ILE MG . . 2.960 2.312 2.240 2.396 . 0 0 "[ . 1 . 2]" 1
359 1 45 ILE MG 1 46 LEU H . . 4.770 2.508 2.271 2.802 . 0 0 "[ . 1 . 2]" 1
360 1 45 ILE MG 1 47 SER H . . 3.650 3.286 2.468 3.654 0.004 7 0 "[ . 1 . 2]" 1
361 1 45 ILE MG 1 48 ILE MD . . 3.540 2.597 1.782 3.372 . 0 0 "[ . 1 . 2]" 1
362 1 45 ILE MG 1 48 ILE QG . . 3.820 2.650 2.226 3.163 . 0 0 "[ . 1 . 2]" 1
363 1 45 ILE MG 1 57 PHE HB2 . . 5.050 4.235 3.623 5.016 . 0 0 "[ . 1 . 2]" 1
364 1 45 ILE MG 1 57 PHE HB3 . . 5.110 2.899 2.313 3.579 . 0 0 "[ . 1 . 2]" 1
365 1 45 ILE MG 1 57 PHE QD . . 4.580 3.432 2.134 4.248 . 0 0 "[ . 1 . 2]" 1
366 1 45 ILE MG 1 58 TYR H . . 4.190 3.361 2.996 3.933 . 0 0 "[ . 1 . 2]" 1
367 1 46 LEU H 1 46 LEU HG . . 4.390 3.039 2.320 4.266 . 0 0 "[ . 1 . 2]" 1
368 1 46 LEU H 1 47 SER H . . 2.590 2.442 2.084 2.606 0.016 10 0 "[ . 1 . 2]" 1
369 1 46 LEU H 1 59 VAL HA . . 4.120 3.896 3.598 4.117 . 0 0 "[ . 1 . 2]" 1
370 1 46 LEU H 1 59 VAL MG1 . . 5.160 5.029 4.475 5.174 0.014 7 0 "[ . 1 . 2]" 1
371 1 46 LEU H 1 60 HIS H . . 4.890 4.762 4.472 4.898 0.008 8 0 "[ . 1 . 2]" 1
372 1 46 LEU HA 1 46 LEU QD . . 2.810 2.094 1.944 2.931 0.121 5 0 "[ . 1 . 2]" 1
373 1 46 LEU QB 1 46 LEU QD . . 2.790 1.931 1.834 2.058 . 0 0 "[ . 1 . 2]" 1
374 1 46 LEU QB 1 47 SER H . . 4.330 2.218 1.926 2.902 . 0 0 "[ . 1 . 2]" 1
375 1 46 LEU QD 1 58 TYR QD . . 4.690 3.100 2.371 3.603 . 0 0 "[ . 1 . 2]" 1
376 1 46 LEU QD 1 58 TYR QE . . 4.380 3.745 2.168 4.401 0.021 5 0 "[ . 1 . 2]" 1
377 1 46 LEU QD 1 59 VAL HA . . 5.400 4.421 2.614 4.959 . 0 0 "[ . 1 . 2]" 1
378 1 46 LEU QD 1 60 HIS H . . 4.460 3.940 2.638 4.370 . 0 0 "[ . 1 . 2]" 1
379 1 46 LEU QD 1 60 HIS HA . . 4.860 3.533 2.839 3.876 . 0 0 "[ . 1 . 2]" 1
380 1 46 LEU QD 1 60 HIS QB . . 3.130 1.919 1.728 2.044 . 0 0 "[ . 1 . 2]" 1
381 1 46 LEU MD1 1 60 HIS H . . 5.500 4.496 2.651 5.508 0.008 14 0 "[ . 1 . 2]" 1
382 1 46 LEU MD1 1 60 HIS HB2 . . 4.620 2.234 1.884 3.851 . 0 0 "[ . 1 . 2]" 1
383 1 46 LEU MD1 1 60 HIS HB3 . . 4.620 3.265 2.091 3.955 . 0 0 "[ . 1 . 2]" 1
384 1 46 LEU MD2 1 60 HIS H . . 5.500 4.688 2.824 5.196 . 0 0 "[ . 1 . 2]" 1
385 1 46 LEU MD2 1 60 HIS HB2 . . 4.620 2.934 1.982 3.700 . 0 0 "[ . 1 . 2]" 1
386 1 46 LEU MD2 1 60 HIS HB3 . . 4.620 3.023 1.903 3.785 . 0 0 "[ . 1 . 2]" 1
387 1 46 LEU HG 1 59 VAL HA . . 5.500 4.655 3.904 5.521 0.021 14 0 "[ . 1 . 2]" 1
388 1 47 SER H 1 58 TYR H . . 3.880 3.134 2.877 3.393 . 0 0 "[ . 1 . 2]" 1
389 1 47 SER H 1 58 TYR HB2 . . 4.050 2.559 1.946 3.405 . 0 0 "[ . 1 . 2]" 1
390 1 47 SER H 1 58 TYR QB . . 3.500 1.930 1.847 2.344 . 0 0 "[ . 1 . 2]" 1
391 1 47 SER H 1 58 TYR HB3 . . 4.050 2.073 1.937 2.944 . 0 0 "[ . 1 . 2]" 1
392 1 47 SER H 1 58 TYR QD . . 4.810 3.770 2.983 4.350 . 0 0 "[ . 1 . 2]" 1
393 1 47 SER HA 1 48 ILE H . . 2.550 2.429 2.304 2.553 0.003 12 0 "[ . 1 . 2]" 1
394 1 47 SER QB 1 58 TYR H . . 4.890 4.110 3.409 4.489 . 0 0 "[ . 1 . 2]" 1
395 1 47 SER QB 1 58 TYR QB . . 3.700 2.701 2.208 3.581 . 0 0 "[ . 1 . 2]" 1
396 1 47 SER HB2 1 58 TYR HB2 . . 4.860 3.644 2.455 4.494 . 0 0 "[ . 1 . 2]" 1
397 1 47 SER HB2 1 58 TYR HB3 . . 4.860 4.087 3.000 4.850 . 0 0 "[ . 1 . 2]" 1
398 1 47 SER HB3 1 58 TYR HB2 . . 4.860 3.287 2.309 4.692 . 0 0 "[ . 1 . 2]" 1
399 1 47 SER HB3 1 58 TYR HB3 . . 4.860 4.087 2.782 4.860 . 0 0 "[ . 1 . 2]" 1
400 1 48 ILE H 1 48 ILE HB . . 3.020 2.836 2.699 2.910 . 0 0 "[ . 1 . 2]" 1
401 1 48 ILE H 1 48 ILE QG . . 4.160 2.820 2.619 3.008 . 0 0 "[ . 1 . 2]" 1
402 1 48 ILE H 1 48 ILE MG . . 4.070 3.928 3.871 3.960 . 0 0 "[ . 1 . 2]" 1
403 1 48 ILE HA 1 48 ILE MG . . 3.240 2.319 2.147 2.386 . 0 0 "[ . 1 . 2]" 1
404 1 48 ILE HA 1 49 ASN H . . 2.400 2.190 2.140 2.307 . 0 0 "[ . 1 . 2]" 1
405 1 48 ILE HA 1 57 PHE HA . . 3.670 2.443 2.193 2.665 . 0 0 "[ . 1 . 2]" 1
406 1 48 ILE HA 1 57 PHE HB3 . . 5.130 4.159 3.279 4.529 . 0 0 "[ . 1 . 2]" 1
407 1 48 ILE HA 1 57 PHE QD . . 3.910 3.439 2.207 3.917 0.007 3 0 "[ . 1 . 2]" 1
408 1 48 ILE HB 1 48 ILE MD . . 3.330 2.540 2.344 3.215 . 0 0 "[ . 1 . 2]" 1
409 1 48 ILE MD 1 48 ILE MG . . 2.720 2.059 1.914 2.214 . 0 0 "[ . 1 . 2]" 1
410 1 48 ILE MD 1 50 THR MG . . 5.500 4.697 4.310 5.412 . 0 0 "[ . 1 . 2]" 1
411 1 48 ILE MD 1 57 PHE HB2 . . 5.500 5.123 3.759 5.519 0.019 11 0 "[ . 1 . 2]" 1
412 1 48 ILE QG 1 48 ILE MG . . 3.210 2.281 2.159 2.351 . 0 0 "[ . 1 . 2]" 1
413 1 48 ILE QG 1 57 PHE HA . . 5.340 3.406 2.800 4.589 . 0 0 "[ . 1 . 2]" 1
414 1 48 ILE QG 1 57 PHE HB3 . . 5.340 3.447 2.882 4.651 . 0 0 "[ . 1 . 2]" 1
415 1 48 ILE QG 1 57 PHE QD . . 3.240 2.387 1.983 3.272 0.032 13 0 "[ . 1 . 2]" 1
416 1 48 ILE MG 1 49 ASN H . . 2.880 2.292 1.950 2.663 . 0 0 "[ . 1 . 2]" 1
417 1 48 ILE MG 1 50 THR MG . . 2.910 2.755 2.488 2.914 0.004 8 0 "[ . 1 . 2]" 1
418 1 48 ILE MG 1 55 PRO QB . . 4.580 3.090 2.572 3.792 . 0 0 "[ . 1 . 2]" 1
419 1 48 ILE MG 1 56 LYS H . . 5.010 3.880 3.295 4.708 . 0 0 "[ . 1 . 2]" 1
420 1 48 ILE MG 1 57 PHE HA . . 4.930 3.212 2.846 3.794 . 0 0 "[ . 1 . 2]" 1
421 1 49 ASN H 1 50 THR H . . 4.890 4.450 4.264 4.549 . 0 0 "[ . 1 . 2]" 1
422 1 49 ASN H 1 56 LYS H . . 4.300 3.405 3.011 3.907 . 0 0 "[ . 1 . 2]" 1
423 1 49 ASN HA 1 50 THR H . . 2.400 2.184 2.139 2.291 . 0 0 "[ . 1 . 2]" 1
424 1 49 ASN HA 1 51 ARG H . . 4.060 3.965 3.791 4.064 0.004 13 0 "[ . 1 . 2]" 1
425 1 49 ASN QB 1 56 LYS QB . . 4.240 2.498 1.969 4.019 . 0 0 "[ . 1 . 2]" 1
426 1 49 ASN QB 1 56 LYS QG . . 4.760 3.568 1.961 4.760 . 0 0 "[ . 1 . 2]" 1
427 1 49 ASN HB2 1 71 TRP HZ3 . . 5.500 4.453 2.029 5.508 0.008 14 0 "[ . 1 . 2]" 1
428 1 49 ASN HB3 1 71 TRP HZ3 . . 5.500 4.849 2.612 5.508 0.008 13 0 "[ . 1 . 2]" 1
429 1 49 ASN QD 1 56 LYS H . . 5.340 4.964 2.078 5.343 0.003 3 0 "[ . 1 . 2]" 1
430 1 50 THR H 1 50 THR MG . . 3.210 2.978 2.495 3.216 0.006 3 0 "[ . 1 . 2]" 1
431 1 50 THR H 1 51 ARG H . . 2.910 2.630 2.186 2.927 0.017 15 0 "[ . 1 . 2]" 1
432 1 50 THR HA 1 50 THR MG . . 2.840 2.286 2.177 2.403 . 0 0 "[ . 1 . 2]" 1
433 1 50 THR HA 1 51 ARG H . . 2.970 2.869 2.757 3.005 0.035 7 0 "[ . 1 . 2]" 1
434 1 50 THR HA 1 55 PRO HA . . 4.370 3.445 2.908 4.055 . 0 0 "[ . 1 . 2]" 1
435 1 50 THR HA 1 55 PRO QB . . 3.600 2.675 1.964 3.660 0.060 7 0 "[ . 1 . 2]" 1
436 1 50 THR MG 1 55 PRO QB . . 3.450 2.918 2.291 3.460 0.010 8 0 "[ . 1 . 2]" 1
437 1 50 THR MG 1 56 LYS H . . 5.220 4.721 4.322 5.151 . 0 0 "[ . 1 . 2]" 1
438 1 51 ARG H 1 51 ARG HB2 . . 3.290 2.554 2.276 2.949 . 0 0 "[ . 1 . 2]" 1
439 1 51 ARG H 1 51 ARG QB . . 2.790 2.305 2.226 2.388 . 0 0 "[ . 1 . 2]" 1
440 1 51 ARG H 1 51 ARG HB3 . . 3.290 2.683 2.404 3.149 . 0 0 "[ . 1 . 2]" 1
441 1 51 ARG H 1 52 LYS H . . 2.550 2.377 2.116 2.593 0.043 8 0 "[ . 1 . 2]" 1
442 1 51 ARG HA 1 51 ARG QD . . 4.710 3.544 2.291 4.264 . 0 0 "[ . 1 . 2]" 1
443 1 51 ARG QB 1 51 ARG QD . . 2.940 2.215 2.013 2.605 . 0 0 "[ . 1 . 2]" 1
444 1 51 ARG QB 1 51 ARG QG . . 2.180 2.059 2.012 2.087 . 0 0 "[ . 1 . 2]" 1
445 1 51 ARG HB2 1 51 ARG QD . . 3.600 2.568 2.086 3.450 . 0 0 "[ . 1 . 2]" 1
446 1 51 ARG HB3 1 51 ARG QD . . 3.600 2.661 2.035 3.513 . 0 0 "[ . 1 . 2]" 1
447 1 52 LYS H 1 52 LYS QB . . 2.720 2.521 2.247 2.760 0.040 8 0 "[ . 1 . 2]" 1
448 1 52 LYS H 1 52 LYS QG . . 3.680 3.078 2.251 3.692 0.012 13 0 "[ . 1 . 2]" 1
449 1 52 LYS HA 1 52 LYS HD2 . . 4.920 3.598 2.023 4.880 . 0 0 "[ . 1 . 2]" 1
450 1 52 LYS HA 1 52 LYS HD3 . . 4.920 3.550 2.006 4.877 . 0 0 "[ . 1 . 2]" 1
451 1 52 LYS HA 1 52 LYS QG . . 3.920 2.616 2.188 3.346 . 0 0 "[ . 1 . 2]" 1
452 1 52 LYS HA 1 53 ALA H . . 2.700 2.451 2.312 2.651 . 0 0 "[ . 1 . 2]" 1
453 1 52 LYS HA 1 53 ALA HA . . 4.620 4.451 4.364 4.514 . 0 0 "[ . 1 . 2]" 1
454 1 52 LYS QB 1 53 ALA H . . 2.590 2.340 2.014 2.612 0.022 3 0 "[ . 1 . 2]" 1
455 1 53 ALA H 1 53 ALA MB . . 2.700 2.434 2.200 2.564 . 0 0 "[ . 1 . 2]" 1
456 1 53 ALA HA 1 54 PRO HA . . 2.740 2.087 1.905 2.416 . 0 0 "[ . 1 . 2]" 1
457 1 53 ALA HA 1 54 PRO HB2 . . 5.260 4.304 4.247 4.417 . 0 0 "[ . 1 . 2]" 1
458 1 53 ALA HA 1 54 PRO QB . . 4.500 3.812 3.732 3.977 . 0 0 "[ . 1 . 2]" 1
459 1 53 ALA HA 1 54 PRO HB3 . . 5.260 4.259 4.119 4.516 . 0 0 "[ . 1 . 2]" 1
460 1 53 ALA HA 1 54 PRO HD2 . . 4.810 4.456 4.405 4.498 . 0 0 "[ . 1 . 2]" 1
461 1 53 ALA HA 1 54 PRO HG2 . . 5.500 4.806 4.752 4.851 . 0 0 "[ . 1 . 2]" 1
462 1 53 ALA HA 1 55 PRO QD . . 4.340 3.068 2.991 3.198 . 0 0 "[ . 1 . 2]" 1
463 1 53 ALA HA 1 55 PRO QG . . 5.350 4.823 4.789 4.869 . 0 0 "[ . 1 . 2]" 1
464 1 53 ALA MB 1 54 PRO HA . . 3.230 2.710 2.007 3.129 . 0 0 "[ . 1 . 2]" 1
465 1 53 ALA MB 1 54 PRO QB . . 5.220 4.043 3.465 4.388 . 0 0 "[ . 1 . 2]" 1
466 1 53 ALA MB 1 54 PRO HD2 . . 5.500 4.510 4.389 4.575 . 0 0 "[ . 1 . 2]" 1
467 1 53 ALA MB 1 54 PRO HD3 . . 5.240 4.014 3.783 4.166 . 0 0 "[ . 1 . 2]" 1
468 1 53 ALA MB 1 54 PRO HG2 . . 5.500 5.338 4.965 5.547 0.047 6 0 "[ . 1 . 2]" 1
469 1 53 ALA MB 1 54 PRO HG3 . . 5.500 5.405 4.975 5.660 0.160 6 0 "[ . 1 . 2]" 1
470 1 53 ALA MB 1 55 PRO HD2 . . 5.500 4.628 3.816 5.082 . 0 0 "[ . 1 . 2]" 1
471 1 53 ALA MB 1 55 PRO QD . . 4.730 3.544 2.771 3.978 . 0 0 "[ . 1 . 2]" 1
472 1 53 ALA MB 1 55 PRO HD3 . . 5.500 3.683 2.845 4.155 . 0 0 "[ . 1 . 2]" 1
473 1 54 PRO HA 1 55 PRO HD2 . . 3.530 2.515 2.424 2.541 . 0 0 "[ . 1 . 2]" 1
474 1 54 PRO HA 1 55 PRO HD3 . . 3.530 2.357 2.315 2.371 . 0 0 "[ . 1 . 2]" 1
475 1 54 PRO QB 1 55 PRO QD . . 3.840 2.034 1.986 2.199 . 0 0 "[ . 1 . 2]" 1
476 1 54 PRO QB 1 74 THR MG . . 4.180 2.708 1.985 3.474 . 0 0 "[ . 1 . 2]" 1
477 1 54 PRO HB2 1 74 THR MG . . 4.780 2.864 2.049 3.686 . 0 0 "[ . 1 . 2]" 1
478 1 54 PRO HB3 1 74 THR MG . . 4.780 3.368 2.661 4.247 . 0 0 "[ . 1 . 2]" 1
479 1 54 PRO HD3 1 74 THR MG . . 5.500 4.835 3.994 5.311 . 0 0 "[ . 1 . 2]" 1
480 1 54 PRO HG2 1 74 THR HB . . 5.500 5.108 4.279 5.492 . 0 0 "[ . 1 . 2]" 1
481 1 54 PRO HG2 1 74 THR MG . . 4.520 3.256 2.258 3.812 . 0 0 "[ . 1 . 2]" 1
482 1 54 PRO HG3 1 74 THR HB . . 5.500 5.250 4.524 5.522 0.022 10 0 "[ . 1 . 2]" 1
483 1 55 PRO HA 1 56 LYS H . . 2.550 2.325 2.233 2.555 0.005 12 0 "[ . 1 . 2]" 1
484 1 55 PRO QB 1 56 LYS H . . 2.920 2.727 2.211 2.957 0.037 5 0 "[ . 1 . 2]" 1
485 1 56 LYS H 1 56 LYS QE . . 4.920 3.732 2.239 4.907 . 0 0 "[ . 1 . 2]" 1
486 1 56 LYS HA 1 56 LYS QD . . 4.760 3.424 2.125 4.223 . 0 0 "[ . 1 . 2]" 1
487 1 56 LYS HA 1 56 LYS QG . . 3.430 2.601 2.047 3.428 . 0 0 "[ . 1 . 2]" 1
488 1 56 LYS HA 1 57 PHE H . . 2.550 2.425 2.296 2.551 0.001 18 0 "[ . 1 . 2]" 1
489 1 56 LYS HA 1 71 TRP HE3 . . 5.310 4.677 4.150 5.076 . 0 0 "[ . 1 . 2]" 1
490 1 56 LYS HA 1 73 THR HA . . 3.760 2.483 2.143 2.987 . 0 0 "[ . 1 . 2]" 1
491 1 56 LYS QB 1 57 PHE H . . 3.520 2.399 2.106 2.710 . 0 0 "[ . 1 . 2]" 1
492 1 56 LYS QB 1 71 TRP QB . . 4.670 3.301 2.724 3.759 . 0 0 "[ . 1 . 2]" 1
493 1 56 LYS HB2 1 57 PHE H . . 4.040 3.466 2.135 4.044 0.004 11 0 "[ . 1 . 2]" 1
494 1 56 LYS HB2 1 71 TRP HE3 . . 4.120 3.048 2.310 3.685 . 0 0 "[ . 1 . 2]" 1
495 1 56 LYS HB3 1 57 PHE H . . 4.040 2.571 2.123 3.488 . 0 0 "[ . 1 . 2]" 1
496 1 56 LYS HB3 1 71 TRP HE3 . . 4.120 2.440 1.991 3.467 . 0 0 "[ . 1 . 2]" 1
497 1 56 LYS QD 1 71 TRP HE3 . . 5.090 3.574 2.562 4.473 . 0 0 "[ . 1 . 2]" 1
498 1 56 LYS QD 1 73 THR HA . . 5.470 4.274 1.956 5.474 0.004 13 0 "[ . 1 . 2]" 1
499 1 56 LYS QE 1 71 TRP HE3 . . 5.130 3.911 2.192 5.121 . 0 0 "[ . 1 . 2]" 1
500 1 56 LYS QE 1 71 TRP HZ3 . . 3.930 3.308 1.981 3.968 0.038 13 0 "[ . 1 . 2]" 1
501 1 56 LYS QE 1 73 THR MG . . 4.700 3.732 1.969 4.710 0.010 15 0 "[ . 1 . 2]" 1
502 1 56 LYS HE2 1 73 THR MG . . 5.500 4.217 1.983 5.504 0.004 17 0 "[ . 1 . 2]" 1
503 1 56 LYS HE3 1 73 THR MG . . 5.500 4.424 2.803 5.484 . 0 0 "[ . 1 . 2]" 1
504 1 56 LYS QG 1 73 THR HA . . 5.340 3.616 1.999 4.899 . 0 0 "[ . 1 . 2]" 1
505 1 57 PHE H 1 57 PHE HB2 . . 3.280 2.933 2.730 3.010 . 0 0 "[ . 1 . 2]" 1
506 1 57 PHE H 1 57 PHE QD . . 4.040 3.064 2.729 3.536 . 0 0 "[ . 1 . 2]" 1
507 1 57 PHE H 1 71 TRP HE3 . . 4.260 3.931 2.967 4.269 0.009 11 0 "[ . 1 . 2]" 1
508 1 57 PHE H 1 72 ILE H . . 4.450 3.134 2.434 3.538 . 0 0 "[ . 1 . 2]" 1
509 1 57 PHE H 1 72 ILE QG . . 4.690 3.794 3.172 4.258 . 0 0 "[ . 1 . 2]" 1
510 1 57 PHE HA 1 58 TYR H . . 2.400 2.209 2.149 2.330 . 0 0 "[ . 1 . 2]" 1
511 1 57 PHE HB2 1 58 TYR H . . 4.380 3.890 3.538 4.087 . 0 0 "[ . 1 . 2]" 1
512 1 57 PHE HB2 1 59 VAL MG1 . . 4.390 3.568 3.291 4.115 . 0 0 "[ . 1 . 2]" 1
513 1 57 PHE HB2 1 72 ILE H . . 4.680 4.232 3.645 4.631 . 0 0 "[ . 1 . 2]" 1
514 1 57 PHE HB2 1 72 ILE MD . . 5.030 4.523 2.976 5.042 0.012 19 0 "[ . 1 . 2]" 1
515 1 57 PHE HB2 1 72 ILE QG . . 4.370 3.568 2.246 4.063 . 0 0 "[ . 1 . 2]" 1
516 1 57 PHE HB3 1 58 TYR H . . 4.090 3.049 2.689 3.331 . 0 0 "[ . 1 . 2]" 1
517 1 57 PHE HB3 1 59 VAL MG1 . . 4.680 4.236 3.883 4.650 . 0 0 "[ . 1 . 2]" 1
518 1 57 PHE HB3 1 72 ILE QG . . 5.340 4.998 3.769 5.357 0.017 9 0 "[ . 1 . 2]" 1
519 1 58 TYR H 1 58 TYR QB . . 3.190 2.223 2.095 2.329 . 0 0 "[ . 1 . 2]" 1
520 1 58 TYR HA 1 58 TYR QE . . 5.200 4.333 4.205 4.441 . 0 0 "[ . 1 . 2]" 1
521 1 58 TYR HA 1 59 VAL H . . 2.400 2.144 2.138 2.160 . 0 0 "[ . 1 . 2]" 1
522 1 58 TYR HA 1 71 TRP HA . . 2.870 2.087 1.976 2.474 . 0 0 "[ . 1 . 2]" 1
523 1 58 TYR HA 1 71 TRP HB2 . . 5.260 3.563 2.761 5.267 0.007 15 0 "[ . 1 . 2]" 1
524 1 58 TYR HA 1 71 TRP QB . . 4.590 2.955 2.184 4.350 . 0 0 "[ . 1 . 2]" 1
525 1 58 TYR HA 1 71 TRP HB3 . . 5.260 3.186 2.253 4.646 . 0 0 "[ . 1 . 2]" 1
526 1 58 TYR HA 1 71 TRP HE3 . . 5.360 5.033 3.972 5.383 0.023 9 0 "[ . 1 . 2]" 1
527 1 58 TYR HA 1 72 ILE H . . 4.100 3.405 3.118 3.749 . 0 0 "[ . 1 . 2]" 1
528 1 58 TYR QE 1 70 GLU HA . . 2.930 2.263 2.003 2.933 0.003 5 0 "[ . 1 . 2]" 1
529 1 58 TYR QE 1 70 GLU QB . . 4.600 4.061 3.816 4.583 . 0 0 "[ . 1 . 2]" 1
530 1 58 TYR QE 1 71 TRP H . . 4.250 3.912 3.068 4.261 0.011 15 0 "[ . 1 . 2]" 1
531 1 59 VAL H 1 59 VAL MG1 . . 4.730 2.675 2.589 2.777 . 0 0 "[ . 1 . 2]" 1
532 1 59 VAL H 1 59 VAL MG2 . . 2.550 1.970 1.902 2.127 . 0 0 "[ . 1 . 2]" 1
533 1 59 VAL H 1 70 GLU H . . 4.170 3.951 3.491 4.177 0.007 7 0 "[ . 1 . 2]" 1
534 1 59 VAL H 1 71 TRP HA . . 3.570 2.570 2.104 3.398 . 0 0 "[ . 1 . 2]" 1
535 1 59 VAL H 1 72 ILE QG . . 5.100 3.489 3.189 3.808 . 0 0 "[ . 1 . 2]" 1
536 1 59 VAL HA 1 59 VAL MG1 . . 3.120 2.249 2.170 2.357 . 0 0 "[ . 1 . 2]" 1
537 1 59 VAL HA 1 60 HIS H . . 2.400 2.222 2.181 2.290 . 0 0 "[ . 1 . 2]" 1
538 1 59 VAL HA 1 72 ILE MD . . 5.500 5.039 4.613 5.489 . 0 0 "[ . 1 . 2]" 1
539 1 59 VAL HA 1 72 ILE QG . . 5.340 4.789 4.446 5.270 . 0 0 "[ . 1 . 2]" 1
540 1 59 VAL HB 1 60 HIS H . . 3.210 2.902 2.673 3.071 . 0 0 "[ . 1 . 2]" 1
541 1 59 VAL MG1 1 60 HIS H . . 4.400 3.752 3.641 3.826 . 0 0 "[ . 1 . 2]" 1
542 1 59 VAL MG1 1 72 ILE MD . . 2.860 2.026 1.848 2.438 . 0 0 "[ . 1 . 2]" 1
543 1 59 VAL MG1 1 72 ILE HG12 . . 4.780 2.046 1.888 2.551 . 0 0 "[ . 1 . 2]" 1
544 1 59 VAL MG1 1 72 ILE HG13 . . 4.780 2.726 2.347 3.302 . 0 0 "[ . 1 . 2]" 1
545 1 59 VAL MG1 1 77 ILE MD . . 3.520 2.379 1.949 3.186 . 0 0 "[ . 1 . 2]" 1
546 1 59 VAL MG2 1 60 HIS H . . 4.090 3.852 3.736 3.957 . 0 0 "[ . 1 . 2]" 1
547 1 59 VAL MG2 1 70 GLU H . . 3.710 2.351 1.880 3.095 . 0 0 "[ . 1 . 2]" 1
548 1 59 VAL MG2 1 70 GLU QB . . 5.010 3.898 3.258 4.247 . 0 0 "[ . 1 . 2]" 1
549 1 59 VAL MG2 1 70 GLU QG . . 4.620 2.812 2.213 4.133 . 0 0 "[ . 1 . 2]" 1
550 1 59 VAL MG2 1 72 ILE HB . . 4.730 4.617 4.175 4.752 0.022 11 0 "[ . 1 . 2]" 1
551 1 59 VAL MG2 1 72 ILE MD . . 3.440 2.778 1.941 3.314 . 0 0 "[ . 1 . 2]" 1
552 1 59 VAL MG2 1 72 ILE HG12 . . 4.970 2.276 1.927 2.473 . 0 0 "[ . 1 . 2]" 1
553 1 59 VAL MG2 1 72 ILE QG . . 4.370 2.256 1.916 2.449 . 0 0 "[ . 1 . 2]" 1
554 1 59 VAL MG2 1 72 ILE HG13 . . 4.970 3.722 3.382 3.952 . 0 0 "[ . 1 . 2]" 1
555 1 59 VAL MG2 1 72 ILE MG . . 3.010 2.697 2.236 3.023 0.013 13 0 "[ . 1 . 2]" 1
556 1 60 HIS H 1 60 HIS QB . . 3.220 2.567 2.468 2.690 . 0 0 "[ . 1 . 2]" 1
557 1 60 HIS HA 1 61 TYR H . . 3.440 2.259 2.160 2.379 . 0 0 "[ . 1 . 2]" 1
558 1 60 HIS HA 1 69 ASP HA . . 4.480 2.581 2.000 3.539 . 0 0 "[ . 1 . 2]" 1
559 1 60 HIS HD2 1 62 VAL HA . . 5.500 4.524 2.935 5.503 0.003 14 0 "[ . 1 . 2]" 1
560 1 60 HIS HD2 1 62 VAL QG . . 5.440 4.272 2.484 5.443 0.003 11 0 "[ . 1 . 2]" 1
561 1 62 VAL HA 1 62 VAL MG1 . . 3.240 2.306 2.117 3.197 . 0 0 "[ . 1 . 2]" 1
562 1 62 VAL HA 1 62 VAL MG2 . . 3.240 3.142 2.264 3.202 . 0 0 "[ . 1 . 2]" 1
563 1 66 LYS HA 1 66 LYS QD . . 4.910 3.939 2.016 4.492 . 0 0 "[ . 1 . 2]" 1
564 1 66 LYS QB 1 66 LYS QD . . 3.440 2.191 2.009 2.430 . 0 0 "[ . 1 . 2]" 1
565 1 66 LYS QB 1 66 LYS QE . . 4.320 2.789 1.956 3.803 . 0 0 "[ . 1 . 2]" 1
566 1 66 LYS QE 1 66 LYS QG . . 3.370 2.245 2.066 2.515 . 0 0 "[ . 1 . 2]" 1
567 1 67 ARG H 1 67 ARG QB . . 3.660 2.493 2.220 2.930 . 0 0 "[ . 1 . 2]" 1
568 1 67 ARG H 1 68 LEU H . . 4.240 2.607 2.027 3.133 . 0 0 "[ . 1 . 2]" 1
569 1 67 ARG HA 1 67 ARG HB2 . . 2.880 2.436 2.350 2.534 . 0 0 "[ . 1 . 2]" 1
570 1 67 ARG HA 1 67 ARG QB . . 2.450 2.183 2.175 2.271 . 0 0 "[ . 1 . 2]" 1
571 1 67 ARG HA 1 67 ARG HB3 . . 2.880 2.485 2.369 3.005 0.125 10 0 "[ . 1 . 2]" 1
572 1 67 ARG HA 1 67 ARG HD2 . . 5.500 4.903 3.925 5.501 0.001 14 0 "[ . 1 . 2]" 1
573 1 67 ARG HA 1 67 ARG QD . . 4.740 4.287 3.802 4.549 . 0 0 "[ . 1 . 2]" 1
574 1 67 ARG HA 1 67 ARG HD3 . . 5.500 4.938 3.959 5.507 0.007 13 0 "[ . 1 . 2]" 1
575 1 67 ARG HA 1 68 LEU QD . . 5.440 5.186 4.398 5.445 0.005 2 0 "[ . 1 . 2]" 1
576 1 67 ARG QB 1 67 ARG QG . . 2.310 2.068 2.022 2.087 . 0 0 "[ . 1 . 2]" 1
577 1 67 ARG QG 1 68 LEU H . . 2.430 2.277 2.068 2.458 0.028 10 0 "[ . 1 . 2]" 1
578 1 67 ARG QG 1 68 LEU HA . . 4.140 3.418 3.015 3.724 . 0 0 "[ . 1 . 2]" 1
579 1 68 LEU H 1 68 LEU QB . . 2.720 2.194 2.051 2.542 . 0 0 "[ . 1 . 2]" 1
580 1 68 LEU H 1 68 LEU QD . . 4.380 3.115 1.979 3.631 . 0 0 "[ . 1 . 2]" 1
581 1 68 LEU H 1 69 ASP H . . 2.790 2.529 2.198 2.731 . 0 0 "[ . 1 . 2]" 1
582 1 68 LEU HA 1 68 LEU QD . . 2.860 2.094 1.924 2.521 . 0 0 "[ . 1 . 2]" 1
583 1 68 LEU QB 1 69 ASP H . . 4.120 2.909 2.539 3.676 . 0 0 "[ . 1 . 2]" 1
584 1 68 LEU QD 1 69 ASP QB . . 5.280 5.038 4.175 5.281 0.001 7 0 "[ . 1 . 2]" 1
585 1 69 ASP H 1 69 ASP HA . . 2.880 2.806 2.759 2.887 0.007 9 0 "[ . 1 . 2]" 1
586 1 69 ASP H 1 69 ASP HB2 . . 2.850 2.549 2.246 2.813 . 0 0 "[ . 1 . 2]" 1
587 1 69 ASP H 1 69 ASP QB . . 2.390 2.231 2.168 2.286 . 0 0 "[ . 1 . 2]" 1
588 1 69 ASP H 1 69 ASP HB3 . . 2.850 2.545 2.293 2.857 0.007 20 0 "[ . 1 . 2]" 1
589 1 69 ASP HA 1 70 GLU H . . 2.400 2.229 2.146 2.416 0.016 9 0 "[ . 1 . 2]" 1
590 1 70 GLU H 1 70 GLU QB . . 3.230 3.028 2.790 3.165 . 0 0 "[ . 1 . 2]" 1
591 1 70 GLU HA 1 70 GLU QB . . 2.670 2.198 2.176 2.324 . 0 0 "[ . 1 . 2]" 1
592 1 70 GLU HA 1 71 TRP H . . 2.700 2.638 2.452 2.724 0.024 9 0 "[ . 1 . 2]" 1
593 1 70 GLU QB 1 71 TRP H . . 2.400 2.039 1.939 2.330 . 0 0 "[ . 1 . 2]" 1
594 1 70 GLU QG 1 72 ILE MG . . 4.610 2.977 2.244 4.634 0.024 10 0 "[ . 1 . 2]" 1
595 1 71 TRP H 1 71 TRP QB . . 3.010 2.774 2.304 3.063 0.053 11 0 "[ . 1 . 2]" 1
596 1 71 TRP H 1 71 TRP HD1 . . 4.070 2.235 1.946 2.763 . 0 0 "[ . 1 . 2]" 1
597 1 71 TRP HA 1 71 TRP HE3 . . 4.650 4.320 3.218 4.639 . 0 0 "[ . 1 . 2]" 1
598 1 71 TRP HA 1 72 ILE H . . 2.590 2.204 2.163 2.280 . 0 0 "[ . 1 . 2]" 1
599 1 71 TRP QB 1 71 TRP HD1 . . 3.390 2.760 2.617 2.834 . 0 0 "[ . 1 . 2]" 1
600 1 71 TRP QB 1 72 ILE H . . 4.220 2.961 2.700 3.114 . 0 0 "[ . 1 . 2]" 1
601 1 71 TRP HE3 1 72 ILE H . . 4.470 4.087 3.278 4.321 . 0 0 "[ . 1 . 2]" 1
602 1 72 ILE H 1 72 ILE MD . . 4.330 3.988 3.876 4.147 . 0 0 "[ . 1 . 2]" 1
603 1 72 ILE H 1 72 ILE HG12 . . 4.390 2.566 2.271 3.081 . 0 0 "[ . 1 . 2]" 1
604 1 72 ILE H 1 72 ILE QG . . 3.830 2.306 2.176 2.487 . 0 0 "[ . 1 . 2]" 1
605 1 72 ILE H 1 72 ILE HG13 . . 4.390 2.710 2.433 3.119 . 0 0 "[ . 1 . 2]" 1
606 1 72 ILE H 1 72 ILE MG . . 4.230 3.166 2.970 3.385 . 0 0 "[ . 1 . 2]" 1
607 1 72 ILE H 1 77 ILE MD . . 5.130 4.087 3.383 5.132 0.002 4 0 "[ . 1 . 2]" 1
608 1 72 ILE HA 1 72 ILE HB . . 2.880 2.499 2.446 2.543 . 0 0 "[ . 1 . 2]" 1
609 1 72 ILE HA 1 72 ILE MD . . 4.670 4.154 4.072 4.182 . 0 0 "[ . 1 . 2]" 1
610 1 72 ILE HA 1 72 ILE MG . . 2.910 2.243 2.118 2.360 . 0 0 "[ . 1 . 2]" 1
611 1 72 ILE HA 1 73 THR H . . 2.700 2.551 2.395 2.626 . 0 0 "[ . 1 . 2]" 1
612 1 72 ILE HA 1 73 THR MG . . 4.690 3.455 3.337 3.660 . 0 0 "[ . 1 . 2]" 1
613 1 72 ILE HB 1 72 ILE MD . . 2.820 2.316 2.186 2.409 . 0 0 "[ . 1 . 2]" 1
614 1 72 ILE HB 1 73 THR H . . 2.400 2.070 1.943 2.398 . 0 0 "[ . 1 . 2]" 1
615 1 72 ILE HB 1 76 ARG QB . . 5.180 3.018 2.191 5.129 . 0 0 "[ . 1 . 2]" 1
616 1 72 ILE HB 1 76 ARG QD . . 5.340 4.263 2.074 5.343 0.003 8 0 "[ . 1 . 2]" 1
617 1 72 ILE MD 1 72 ILE MG . . 2.790 2.178 1.928 2.494 . 0 0 "[ . 1 . 2]" 1
618 1 72 ILE MD 1 73 THR H . . 4.210 3.740 3.048 4.182 . 0 0 "[ . 1 . 2]" 1
619 1 72 ILE MD 1 76 ARG H . . 4.090 3.835 3.510 4.096 0.006 14 0 "[ . 1 . 2]" 1
620 1 72 ILE MD 1 76 ARG QB . . 4.840 2.082 1.844 3.794 . 0 0 "[ . 1 . 2]" 1
621 1 72 ILE MD 1 76 ARG HG2 . . 4.980 4.083 2.326 4.567 . 0 0 "[ . 1 . 2]" 1
622 1 72 ILE MD 1 76 ARG QG . . 4.370 3.250 2.063 3.841 . 0 0 "[ . 1 . 2]" 1
623 1 72 ILE MD 1 76 ARG HG3 . . 4.980 3.434 2.306 4.211 . 0 0 "[ . 1 . 2]" 1
624 1 72 ILE MD 1 77 ILE MD . . 2.620 2.282 1.819 2.634 0.014 5 0 "[ . 1 . 2]" 1
625 1 72 ILE MD 1 77 ILE QG . . 4.090 1.931 1.793 2.343 . 0 0 "[ . 1 . 2]" 1
626 1 72 ILE QG 1 77 ILE MD . . 4.490 2.215 1.873 3.003 . 0 0 "[ . 1 . 2]" 1
627 1 72 ILE MG 1 73 THR H . . 5.390 3.472 3.339 3.654 . 0 0 "[ . 1 . 2]" 1
628 1 72 ILE MG 1 76 ARG QB . . 5.500 3.568 2.775 5.133 . 0 0 "[ . 1 . 2]" 1
629 1 72 ILE MG 1 76 ARG QD . . 5.340 3.851 2.382 4.822 . 0 0 "[ . 1 . 2]" 1
630 1 73 THR H 1 73 THR MG . . 2.970 2.590 2.391 2.970 . 0 0 "[ . 1 . 2]" 1
631 1 73 THR HA 1 73 THR HB . . 2.960 2.427 2.378 2.481 . 0 0 "[ . 1 . 2]" 1
632 1 73 THR HA 1 73 THR MG . . 2.710 2.372 2.234 2.448 . 0 0 "[ . 1 . 2]" 1
633 1 73 THR HA 1 74 THR H . . 2.700 2.634 2.461 2.688 . 0 0 "[ . 1 . 2]" 1
634 1 73 THR HB 1 74 THR H . . 2.810 2.006 1.948 2.257 . 0 0 "[ . 1 . 2]" 1
635 1 73 THR HB 1 75 ASP H . . 3.120 2.916 2.697 3.112 . 0 0 "[ . 1 . 2]" 1
636 1 73 THR MG 1 75 ASP QB . . 5.090 4.073 3.896 4.194 . 0 0 "[ . 1 . 2]" 1
637 1 74 THR H 1 74 THR HB . . 3.130 2.575 2.443 2.742 . 0 0 "[ . 1 . 2]" 1
638 1 74 THR H 1 74 THR MG . . 2.800 2.142 1.934 2.255 . 0 0 "[ . 1 . 2]" 1
639 1 74 THR H 1 75 ASP H . . 3.170 2.510 2.346 2.717 . 0 0 "[ . 1 . 2]" 1
640 1 74 THR HA 1 74 THR MG . . 3.400 3.198 3.189 3.205 . 0 0 "[ . 1 . 2]" 1
641 1 74 THR HA 1 77 ILE HB . . 5.140 2.243 1.998 2.578 . 0 0 "[ . 1 . 2]" 1
642 1 74 THR HA 1 77 ILE MD . . 3.490 3.230 2.425 3.498 0.008 10 0 "[ . 1 . 2]" 1
643 1 74 THR HA 1 77 ILE QG . . 4.720 3.657 3.114 4.071 . 0 0 "[ . 1 . 2]" 1
644 1 74 THR HA 1 77 ILE MG . . 5.500 3.745 3.580 4.060 . 0 0 "[ . 1 . 2]" 1
645 1 74 THR HB 1 75 ASP H . . 4.510 4.115 3.991 4.371 . 0 0 "[ . 1 . 2]" 1
646 1 74 THR HB 1 77 ILE MD . . 5.250 4.748 4.225 5.103 . 0 0 "[ . 1 . 2]" 1
647 1 74 THR MG 1 75 ASP H . . 4.080 2.353 2.122 2.999 . 0 0 "[ . 1 . 2]" 1
648 1 74 THR MG 1 77 ILE MD . . 5.490 5.273 4.838 5.504 0.014 8 0 "[ . 1 . 2]" 1
649 1 74 THR MG 1 77 ILE MG . . 5.500 5.492 5.273 5.520 0.020 14 0 "[ . 1 . 2]" 1
650 1 75 ASP H 1 75 ASP QB . . 2.400 2.239 2.156 2.387 . 0 0 "[ . 1 . 2]" 1
651 1 75 ASP H 1 76 ARG H . . 2.780 2.720 2.635 2.783 0.003 14 0 "[ . 1 . 2]" 1
652 1 75 ASP H 1 77 ILE H . . 4.560 3.895 3.748 4.028 . 0 0 "[ . 1 . 2]" 1
653 1 75 ASP H 1 77 ILE HB . . 5.500 5.253 5.038 5.473 . 0 0 "[ . 1 . 2]" 1
654 1 75 ASP HA 1 75 ASP QB . . 2.580 2.411 2.280 2.484 . 0 0 "[ . 1 . 2]" 1
655 1 75 ASP QB 1 76 ARG H . . 4.680 2.866 2.397 3.010 . 0 0 "[ . 1 . 2]" 1
656 1 76 ARG H 1 76 ARG QB . . 3.160 2.514 2.409 2.768 . 0 0 "[ . 1 . 2]" 1
657 1 76 ARG H 1 76 ARG QD . . 4.950 4.252 3.512 4.549 . 0 0 "[ . 1 . 2]" 1
658 1 76 ARG H 1 76 ARG QG . . 2.680 2.576 2.022 2.687 0.007 15 0 "[ . 1 . 2]" 1
659 1 76 ARG H 1 77 ILE QG . . 4.730 3.722 3.460 4.040 . 0 0 "[ . 1 . 2]" 1
660 1 76 ARG HA 1 76 ARG HD2 . . 5.070 4.083 2.036 5.148 0.078 18 0 "[ . 1 . 2]" 1
661 1 76 ARG HA 1 76 ARG QD . . 4.260 3.235 2.025 4.231 . 0 0 "[ . 1 . 2]" 1
662 1 76 ARG HA 1 76 ARG HD3 . . 5.070 3.560 2.775 4.774 . 0 0 "[ . 1 . 2]" 1
663 1 76 ARG HA 1 76 ARG QG . . 3.340 2.759 2.437 3.421 0.081 18 0 "[ . 1 . 2]" 1
664 1 76 ARG QB 1 77 ILE H . . 4.300 3.030 2.870 3.666 . 0 0 "[ . 1 . 2]" 1
665 1 76 ARG HE 1 77 ILE H . . 5.500 5.243 4.812 5.522 0.022 9 0 "[ . 1 . 2]" 1
666 1 76 ARG QG 1 77 ILE H . . 4.260 4.069 2.382 4.239 . 0 0 "[ . 1 . 2]" 1
667 1 77 ILE H 1 77 ILE HB . . 2.700 2.533 2.517 2.542 . 0 0 "[ . 1 . 2]" 1
668 1 77 ILE H 1 77 ILE MD . . 4.080 3.660 3.454 3.852 . 0 0 "[ . 1 . 2]" 1
669 1 77 ILE H 1 77 ILE QG . . 2.630 2.524 2.494 2.624 . 0 0 "[ . 1 . 2]" 1
670 1 77 ILE HA 1 77 ILE MD . . 4.780 3.865 3.820 3.884 . 0 0 "[ . 1 . 2]" 1
671 1 77 ILE HA 1 77 ILE MG . . 2.710 2.342 2.300 2.393 . 0 0 "[ . 1 . 2]" 1
672 1 77 ILE HA 1 78 ASN H . . 2.400 2.165 2.139 2.230 . 0 0 "[ . 1 . 2]" 1
673 1 77 ILE HB 1 77 ILE MD . . 3.310 2.330 2.196 2.447 . 0 0 "[ . 1 . 2]" 1
674 1 77 ILE HB 1 78 ASN H . . 4.360 4.187 3.932 4.306 . 0 0 "[ . 1 . 2]" 1
675 1 77 ILE MD 1 77 ILE MG . . 2.770 2.151 1.929 2.343 . 0 0 "[ . 1 . 2]" 1
676 1 77 ILE QG 1 78 ASN H . . 4.220 4.143 3.996 4.223 0.003 15 0 "[ . 1 . 2]" 1
677 1 77 ILE MG 1 78 ASN H . . 2.630 2.459 1.964 2.636 0.006 1 0 "[ . 1 . 2]" 1
678 1 77 ILE MG 1 79 LEU H . . 4.900 4.045 2.854 4.894 . 0 0 "[ . 1 . 2]" 1
679 1 78 ASN H 1 78 ASN HB2 . . 3.050 2.686 2.218 3.049 . 0 0 "[ . 1 . 2]" 1
680 1 78 ASN H 1 78 ASN QB . . 2.580 2.389 2.154 2.582 0.002 5 0 "[ . 1 . 2]" 1
681 1 78 ASN H 1 78 ASN HB3 . . 3.050 2.745 2.293 2.985 . 0 0 "[ . 1 . 2]" 1
682 1 78 ASN H 1 79 LEU H . . 5.290 4.273 3.689 4.622 . 0 0 "[ . 1 . 2]" 1
683 1 78 ASN HA 1 79 LEU H . . 2.400 2.214 2.140 2.404 0.004 20 0 "[ . 1 . 2]" 1
684 1 78 ASN HA 1 79 LEU QD . . 5.440 4.179 3.144 5.380 . 0 0 "[ . 1 . 2]" 1
685 1 79 LEU H 1 79 LEU QB . . 2.670 2.200 2.062 2.412 . 0 0 "[ . 1 . 2]" 1
686 1 79 LEU H 1 79 LEU MD1 . . 5.200 3.754 1.935 4.213 . 0 0 "[ . 1 . 2]" 1
687 1 79 LEU H 1 79 LEU QD . . 4.320 2.800 1.931 3.804 . 0 0 "[ . 1 . 2]" 1
688 1 79 LEU H 1 79 LEU MD2 . . 5.200 3.270 1.965 4.413 . 0 0 "[ . 1 . 2]" 1
689 1 79 LEU HA 1 79 LEU QD . . 2.690 2.155 1.879 2.699 0.009 17 0 "[ . 1 . 2]" 1
690 1 79 LEU QB 1 79 LEU QD . . 2.470 1.947 1.781 2.076 . 0 0 "[ . 1 . 2]" 1
691 1 79 LEU HB2 1 80 ASP H . . 5.460 3.872 2.372 4.640 . 0 0 "[ . 1 . 2]" 1
692 1 79 LEU HB3 1 80 ASP H . . 5.460 2.992 2.047 4.407 . 0 0 "[ . 1 . 2]" 1
693 1 79 LEU QD 1 80 ASP H . . 4.300 3.264 2.219 4.304 0.004 20 0 "[ . 1 . 2]" 1
694 1 79 LEU MD1 1 80 ASP H . . 5.310 3.550 2.232 4.551 . 0 0 "[ . 1 . 2]" 1
695 1 79 LEU MD2 1 80 ASP H . . 5.310 4.284 2.503 5.314 0.004 20 0 "[ . 1 . 2]" 1
696 1 80 ASP H 1 80 ASP QB . . 2.700 2.469 2.289 2.684 . 0 0 "[ . 1 . 2]" 1
697 1 80 ASP H 1 81 LYS H . . 2.700 2.477 1.904 2.705 0.005 8 0 "[ . 1 . 2]" 1
698 1 80 ASP HA 1 80 ASP QB . . 2.730 2.400 2.280 2.468 . 0 0 "[ . 1 . 2]" 1
699 1 80 ASP QB 1 81 LYS H . . 4.160 3.057 1.948 3.898 . 0 0 "[ . 1 . 2]" 1
700 1 81 LYS H 1 81 LYS QB . . 2.740 2.357 2.099 2.710 . 0 0 "[ . 1 . 2]" 1
701 1 81 LYS H 1 81 LYS QG . . 4.540 3.088 2.240 4.232 . 0 0 "[ . 1 . 2]" 1
702 1 81 LYS HA 1 81 LYS QD . . 4.690 3.026 1.994 4.390 . 0 0 "[ . 1 . 2]" 1
703 1 81 LYS HA 1 81 LYS QG . . 3.510 2.570 2.087 3.342 . 0 0 "[ . 1 . 2]" 1
704 1 81 LYS HA 1 82 GLU H . . 2.700 2.483 2.354 2.702 0.002 9 0 "[ . 1 . 2]" 1
705 1 81 LYS HA 1 82 GLU HB3 . . 4.680 4.501 4.183 4.700 0.020 13 0 "[ . 1 . 2]" 1
706 1 81 LYS QB 1 82 GLU H . . 2.510 2.384 1.960 2.524 0.014 15 0 "[ . 1 . 2]" 1
707 1 81 LYS QD 1 82 GLU H . . 4.720 3.627 2.383 4.506 . 0 0 "[ . 1 . 2]" 1
708 1 81 LYS QD 1 82 GLU QG . . 5.340 4.472 3.344 5.321 . 0 0 "[ . 1 . 2]" 1
709 1 81 LYS HD2 1 82 GLU H . . 5.500 4.290 2.877 5.500 . 0 0 "[ . 1 . 2]" 1
710 1 81 LYS HD3 1 82 GLU H . . 5.500 4.126 2.467 5.312 . 0 0 "[ . 1 . 2]" 1
711 1 81 LYS QG 1 82 GLU H . . 5.090 3.399 1.941 4.242 . 0 0 "[ . 1 . 2]" 1
712 1 82 GLU H 1 82 GLU HB3 . . 3.000 2.643 2.329 3.029 0.029 15 0 "[ . 1 . 2]" 1
713 1 82 GLU H 1 82 GLU QG . . 3.070 2.373 1.935 2.773 . 0 0 "[ . 1 . 2]" 1
714 1 82 GLU H 1 83 VAL H . . 4.690 4.524 3.851 4.643 . 0 0 "[ . 1 . 2]" 1
715 1 82 GLU HA 1 82 GLU HB2 . . 2.850 2.408 2.360 2.509 . 0 0 "[ . 1 . 2]" 1
716 1 82 GLU HA 1 82 GLU HB3 . . 2.990 2.490 2.389 2.545 . 0 0 "[ . 1 . 2]" 1
717 1 82 GLU HA 1 82 GLU QG . . 3.850 3.348 3.320 3.434 . 0 0 "[ . 1 . 2]" 1
718 1 82 GLU HA 1 83 VAL H . . 2.400 2.257 2.148 2.407 0.007 19 0 "[ . 1 . 2]" 1
719 1 82 GLU HB2 1 82 GLU QG . . 2.530 2.240 2.140 2.490 . 0 0 "[ . 1 . 2]" 1
720 1 82 GLU QG 1 84 LEU QD . . 4.460 4.005 2.269 4.462 0.002 5 0 "[ . 1 . 2]" 1
721 1 82 GLU QG 1 84 LEU HG . . 5.150 4.411 2.853 5.150 . 1 0 "[ . 1 . 2]" 1
722 1 83 VAL H 1 83 VAL MG1 . . 4.170 2.960 1.928 3.888 . 0 0 "[ . 1 . 2]" 1
723 1 83 VAL H 1 83 VAL QG . . 3.650 2.195 1.908 2.994 . 0 0 "[ . 1 . 2]" 1
724 1 83 VAL H 1 83 VAL MG2 . . 4.170 2.686 1.914 3.803 . 0 0 "[ . 1 . 2]" 1
725 1 83 VAL HA 1 83 VAL MG1 . . 3.230 2.556 2.267 3.203 . 0 0 "[ . 1 . 2]" 1
726 1 83 VAL HA 1 83 VAL MG2 . . 3.230 2.721 2.225 3.203 . 0 0 "[ . 1 . 2]" 1
727 1 83 VAL HA 1 84 LEU H . . 2.400 2.270 2.141 2.409 0.009 15 0 "[ . 1 . 2]" 1
728 1 83 VAL HB 1 85 TYR QE . . 4.750 3.227 1.978 4.796 0.046 3 0 "[ . 1 . 2]" 1
729 1 83 VAL QG 1 85 TYR QB . . 3.650 3.238 2.829 3.651 0.001 16 0 "[ . 1 . 2]" 1
730 1 83 VAL QG 1 85 TYR QD . . 2.530 2.021 1.879 2.503 . 0 0 "[ . 1 . 2]" 1
731 1 83 VAL QG 1 85 TYR QE . . 2.450 2.295 1.982 2.469 0.019 19 0 "[ . 1 . 2]" 1
732 1 83 VAL QG 1 86 PRO QD . . 5.280 5.044 4.365 5.288 0.008 15 0 "[ . 1 . 2]" 1
733 1 83 VAL MG1 1 85 TYR QD . . 3.880 2.905 1.882 3.881 0.001 10 0 "[ . 1 . 2]" 1
734 1 83 VAL MG1 1 85 TYR QE . . 3.190 2.636 2.006 3.129 . 0 0 "[ . 1 . 2]" 1
735 1 83 VAL MG2 1 85 TYR QD . . 3.880 2.819 1.900 3.966 0.086 18 0 "[ . 1 . 2]" 1
736 1 83 VAL MG2 1 85 TYR QE . . 3.190 2.684 2.208 3.090 . 0 0 "[ . 1 . 2]" 1
737 1 84 LEU H 1 84 LEU HB2 . . 2.600 2.440 2.204 2.604 0.004 1 0 "[ . 1 . 2]" 1
738 1 84 LEU H 1 84 LEU QD . . 4.010 3.594 3.174 3.828 . 0 0 "[ . 1 . 2]" 1
739 1 84 LEU H 1 85 TYR HA . . 5.440 4.930 4.649 5.345 . 0 0 "[ . 1 . 2]" 1
740 1 84 LEU HA 1 84 LEU QD . . 2.930 2.393 1.997 2.907 . 0 0 "[ . 1 . 2]" 1
741 1 84 LEU HA 1 85 TYR H . . 2.400 2.214 2.140 2.255 . 0 0 "[ . 1 . 2]" 1
742 1 84 LEU HB3 1 84 LEU MD1 . . 3.250 2.524 2.267 2.835 . 0 0 "[ . 1 . 2]" 1
743 1 84 LEU HB3 1 84 LEU MD2 . . 3.250 2.172 1.972 2.347 . 0 0 "[ . 1 . 2]" 1
744 1 84 LEU HB3 1 85 TYR H . . 4.090 3.949 3.478 4.086 . 0 0 "[ . 1 . 2]" 1
745 1 84 LEU QD 1 86 PRO HA . . 5.350 4.920 3.150 5.354 0.004 5 0 "[ . 1 . 2]" 1
746 1 84 LEU QD 1 86 PRO HB3 . . 4.960 4.515 2.724 4.961 0.001 1 0 "[ . 1 . 2]" 1
747 1 85 TYR H 1 85 TYR QB . . 3.310 2.500 2.309 3.106 . 0 0 "[ . 1 . 2]" 1
748 1 85 TYR H 1 85 TYR QD . . 4.360 3.262 2.797 3.918 . 0 0 "[ . 1 . 2]" 1
749 1 85 TYR H 1 86 PRO HA . . 5.030 4.797 4.646 5.194 0.164 1 0 "[ . 1 . 2]" 1
750 1 85 TYR H 1 86 PRO QD . . 4.610 3.553 3.428 4.355 . 0 0 "[ . 1 . 2]" 1
751 1 85 TYR HA 1 86 PRO HD2 . . 3.480 1.987 1.960 2.493 . 0 0 "[ . 1 . 2]" 1
752 1 85 TYR HA 1 86 PRO HD3 . . 3.480 2.691 2.339 2.713 . 0 0 "[ . 1 . 2]" 1
753 1 85 TYR QB 1 86 PRO QD . . 4.240 3.580 1.990 3.719 . 0 0 "[ . 1 . 2]" 1
754 1 86 PRO HA 1 87 LYS H . . 2.550 2.270 2.150 2.474 . 0 0 "[ . 1 . 2]" 1
755 1 87 LYS H 1 87 LYS QB . . 2.940 2.605 2.166 2.940 . 16 0 "[ . 1 . 2]" 1
756 1 87 LYS HA 1 87 LYS QD . . 3.680 3.161 1.990 3.753 0.073 5 0 "[ . 1 . 2]" 1
757 1 87 LYS HA 1 88 LEU H . . 2.550 2.286 2.143 2.581 0.031 16 0 "[ . 1 . 2]" 1
758 1 87 LYS HA 1 88 LEU QD . . 5.090 4.122 3.220 5.018 . 0 0 "[ . 1 . 2]" 1
759 1 87 LYS QG 1 88 LEU H . . 4.100 3.253 2.081 4.130 0.030 16 0 "[ . 1 . 2]" 1
760 1 88 LEU HA 1 88 LEU MD1 . . 4.580 3.197 1.982 4.075 . 0 0 "[ . 1 . 2]" 1
761 1 88 LEU HA 1 88 LEU QD . . 3.450 2.493 1.949 3.392 . 0 0 "[ . 1 . 2]" 1
762 1 88 LEU HA 1 88 LEU MD2 . . 4.580 3.037 2.053 4.056 . 0 0 "[ . 1 . 2]" 1
763 1 88 LEU HA 1 88 LEU HG . . 3.980 3.063 2.216 3.681 . 0 0 "[ . 1 . 2]" 1
764 1 88 LEU HA 1 89 LYS H . . 2.550 2.397 2.186 2.552 0.002 15 0 "[ . 1 . 2]" 1
765 1 88 LEU QB 1 88 LEU QD . . 2.500 1.879 1.729 2.017 . 0 0 "[ . 1 . 2]" 1
766 1 88 LEU QB 1 89 LYS H . . 3.110 2.588 2.151 3.051 . 0 0 "[ . 1 . 2]" 1
767 1 89 LYS HA 1 89 LYS QD . . 5.010 3.258 2.072 4.389 . 0 0 "[ . 1 . 2]" 1
768 1 89 LYS HA 1 89 LYS QG . . 3.880 2.566 2.186 3.343 . 0 0 "[ . 1 . 2]" 1
769 1 89 LYS HA 1 90 ALA H . . 2.700 2.237 2.140 2.566 . 0 0 "[ . 1 . 2]" 1
770 1 89 LYS HB2 1 89 LYS QD . . 3.540 2.681 2.074 3.471 . 0 0 "[ . 1 . 2]" 1
771 1 89 LYS HB3 1 89 LYS QD . . 3.540 2.644 2.086 3.290 . 0 0 "[ . 1 . 2]" 1
772 1 89 LYS QE 1 89 LYS QG . . 3.340 2.198 2.068 2.508 . 0 0 "[ . 1 . 2]" 1
773 1 90 ALA H 1 90 ALA MB . . 2.550 2.257 2.023 2.557 0.007 19 0 "[ . 1 . 2]" 1
774 1 90 ALA HA 1 91 THR H . . 2.550 2.280 2.141 2.553 0.003 19 0 "[ . 1 . 2]" 1
775 1 90 ALA MB 1 91 THR H . . 3.310 2.779 2.132 3.274 . 0 0 "[ . 1 . 2]" 1
776 1 91 THR H 1 91 THR MG . . 4.760 3.152 1.980 4.005 . 0 0 "[ . 1 . 2]" 1
777 1 91 THR HA 1 91 THR MG . . 3.650 2.380 2.038 3.201 . 0 0 "[ . 1 . 2]" 1
778 1 91 THR HA 1 92 ASP H . . 2.400 2.257 2.142 2.399 . 0 0 "[ . 1 . 2]" 1
779 1 92 ASP H 1 92 ASP QB . . 2.840 2.537 2.177 2.857 0.017 3 0 "[ . 1 . 2]" 1
780 1 92 ASP HA 1 93 GLU H . . 3.010 2.417 2.140 2.866 . 0 0 "[ . 1 . 2]" 1
781 1 93 GLU H 1 93 GLU QB . . 3.540 2.708 2.221 3.288 . 0 0 "[ . 1 . 2]" 1
782 1 93 GLU HA 1 94 ASP H . . 3.100 2.344 2.160 2.725 . 0 0 "[ . 1 . 2]" 1
783 1 93 GLU QB 1 93 GLU QG . . 2.370 2.035 1.990 2.086 . 0 0 "[ . 1 . 2]" 1
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