NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
585908 |
2mpm   |
19989 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mpm
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 1063
_Distance_constraint_stats_list.Viol_count 2285
_Distance_constraint_stats_list.Viol_total 1917.507
_Distance_constraint_stats_list.Viol_max 0.268
_Distance_constraint_stats_list.Viol_rms 0.0175
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0045
_Distance_constraint_stats_list.Viol_average_violations_only 0.0420
_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 GLY 0.310 0.052 10 0 "[ . 1 . 2]"
1 2 PRO 0.310 0.052 10 0 "[ . 1 . 2]"
1 3 ALA 0.093 0.039 14 0 "[ . 1 . 2]"
1 4 SER 0.283 0.069 12 0 "[ . 1 . 2]"
1 5 VAL 0.461 0.085 17 0 "[ . 1 . 2]"
1 6 PRO 0.355 0.085 17 0 "[ . 1 . 2]"
1 12 ASN 1.777 0.134 18 0 "[ . 1 . 2]"
1 13 LEU 5.058 0.202 9 0 "[ . 1 . 2]"
1 14 ALA 1.284 0.268 13 0 "[ . 1 . 2]"
1 15 ASN 2.740 0.182 13 0 "[ . 1 . 2]"
1 16 ARG 0.658 0.144 16 0 "[ . 1 . 2]"
1 17 LYS 0.941 0.222 20 0 "[ . 1 . 2]"
1 18 ILE 4.733 0.136 19 0 "[ . 1 . 2]"
1 19 PRO 5.234 0.136 19 0 "[ . 1 . 2]"
1 20 LEU 4.806 0.091 20 0 "[ . 1 . 2]"
1 21 GLN 2.023 0.107 13 0 "[ . 1 . 2]"
1 22 ARG 5.126 0.118 19 0 "[ . 1 . 2]"
1 23 LEU 4.983 0.202 14 0 "[ . 1 . 2]"
1 24 GLU 2.842 0.236 12 0 "[ . 1 . 2]"
1 25 SER 1.519 0.236 12 0 "[ . 1 . 2]"
1 26 TYR 7.440 0.148 15 0 "[ . 1 . 2]"
1 27 ARG 2.450 0.145 17 0 "[ . 1 . 2]"
1 28 ARG 3.310 0.118 19 0 "[ . 1 . 2]"
1 29 ILE 7.456 0.191 15 0 "[ . 1 . 2]"
1 30 THR 0.934 0.071 12 0 "[ . 1 . 2]"
1 34 CYS 1.650 0.192 7 0 "[ . 1 . 2]"
1 35 PRO 2.151 0.246 1 0 "[ . 1 . 2]"
1 36 GLN 1.607 0.246 1 0 "[ . 1 . 2]"
1 37 LYS 0.963 0.071 12 0 "[ . 1 . 2]"
1 38 ALA 3.737 0.181 1 0 "[ . 1 . 2]"
1 39 VAL 6.857 0.148 15 0 "[ . 1 . 2]"
1 40 ILE 4.074 0.185 8 0 "[ . 1 . 2]"
1 41 PHE 9.007 0.239 20 0 "[ . 1 . 2]"
1 42 LYS 1.620 0.107 7 0 "[ . 1 . 2]"
1 43 THR 3.760 0.125 8 0 "[ . 1 . 2]"
1 44 LYS 0.204 0.070 10 0 "[ . 1 . 2]"
1 45 LEU 1.905 0.124 16 0 "[ . 1 . 2]"
1 46 ALA 0.784 0.124 16 0 "[ . 1 . 2]"
1 47 LYS 0.628 0.124 16 0 "[ . 1 . 2]"
1 48 ASP 1.465 0.064 20 0 "[ . 1 . 2]"
1 49 ILE 2.480 0.125 8 0 "[ . 1 . 2]"
1 50 CYS 3.462 0.184 10 0 "[ . 1 . 2]"
1 51 ALA 1.145 0.111 16 0 "[ . 1 . 2]"
1 52 ASP 3.312 0.174 11 0 "[ . 1 . 2]"
1 53 PRO 4.641 0.142 14 0 "[ . 1 . 2]"
1 54 LYS 2.655 0.142 14 0 "[ . 1 . 2]"
1 55 LYS 3.398 0.173 9 0 "[ . 1 . 2]"
1 56 LYS 2.389 0.132 20 0 "[ . 1 . 2]"
1 57 TRP 7.151 0.239 20 0 "[ . 1 . 2]"
1 58 VAL 0.295 0.024 9 0 "[ . 1 . 2]"
1 59 GLN 6.026 0.132 20 0 "[ . 1 . 2]"
1 60 ASP 1.332 0.147 20 0 "[ . 1 . 2]"
1 61 SER 3.392 0.147 20 0 "[ . 1 . 2]"
1 62 MET 5.583 0.097 14 0 "[ . 1 . 2]"
1 63 LYS 1.019 0.135 15 0 "[ . 1 . 2]"
1 64 TYR 3.959 0.081 7 0 "[ . 1 . 2]"
1 65 LEU 10.411 0.202 14 0 "[ . 1 . 2]"
1 66 ASP 2.773 0.123 14 0 "[ . 1 . 2]"
1 67 GLN 0.599 0.189 18 0 "[ . 1 . 2]"
1 68 LYS 1.080 0.225 18 0 "[ . 1 . 2]"
1 69 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 PRO 0.908 0.225 18 0 "[ . 1 . 2]"
1 71 THR 0.145 0.051 4 0 "[ . 1 . 2]"
1 72 PRO 0.039 0.038 14 0 "[ . 1 . 2]"
1 73 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 4 PHE 3.237 0.268 13 0 "[ . 1 . 2]"
2 5 GLY 0.021 0.021 5 0 "[ . 1 . 2]"
2 6 THR 0.021 0.021 5 0 "[ . 1 . 2]"
2 7 THR 0.407 0.069 10 0 "[ . 1 . 2]"
2 8 SER 0.800 0.116 13 0 "[ . 1 . 2]"
2 9 TYS 0.105 0.073 2 0 "[ . 1 . 2]"
2 10 TYS 0.647 0.092 1 0 "[ . 1 . 2]"
2 11 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 12 ASP 1.452 0.156 17 0 "[ . 1 . 2]"
2 13 VAL 2.276 0.156 17 0 "[ . 1 . 2]"
2 14 GLY 0.021 0.021 17 0 "[ . 1 . 2]"
2 15 LEU 1.000 0.092 1 0 "[ . 1 . 2]"
2 16 LEU 0.998 0.091 8 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 GLY QA 1 2 PRO HA 4.240 . 4.240 4.151 4.047 4.292 0.052 10 0 "[ . 1 . 2]" 1
2 1 1 GLY QA 1 2 PRO QB 4.980 . 4.980 4.396 4.264 4.632 . 0 0 "[ . 1 . 2]" 1
3 1 1 GLY QA 1 2 PRO QG 4.420 . 4.420 3.929 3.765 4.060 . 0 0 "[ . 1 . 2]" 1
4 1 3 ALA HA 1 4 SER QB 4.310 . 4.310 4.172 3.832 4.349 0.039 14 0 "[ . 1 . 2]" 1
5 1 3 ALA MB 1 4 SER QB 4.420 . 4.420 3.981 3.255 4.422 0.002 17 0 "[ . 1 . 2]" 1
6 1 4 SER QB 1 5 VAL QG 4.130 . 4.130 3.735 2.513 4.199 0.069 12 0 "[ . 1 . 2]" 1
7 1 4 SER QB 1 29 ILE MG 4.870 . 4.870 4.495 3.002 4.929 0.059 9 0 "[ . 1 . 2]" 1
8 1 5 VAL QG 1 6 PRO HA 4.380 . 4.380 4.188 3.559 4.465 0.085 17 0 "[ . 1 . 2]" 1
9 1 12 ASN HA 1 12 ASN HB3 2.930 . 2.930 2.356 2.285 2.462 . 0 0 "[ . 1 . 2]" 1
10 1 12 ASN HA 1 13 LEU HG 4.070 . 4.070 3.791 3.265 4.082 0.012 3 0 "[ . 1 . 2]" 1
11 1 12 ASN HB2 1 13 LEU MD2 4.220 . 4.220 3.986 3.385 4.326 0.106 7 0 "[ . 1 . 2]" 1
12 1 12 ASN HB2 1 13 LEU HG 4.800 . 4.800 2.914 2.339 3.691 . 0 0 "[ . 1 . 2]" 1
13 1 12 ASN HB2 1 35 PRO QG 4.590 . 4.590 3.936 3.206 4.602 0.012 9 0 "[ . 1 . 2]" 1
14 1 12 ASN HB3 1 13 LEU HG 4.210 . 4.210 3.759 2.411 4.344 0.134 18 0 "[ . 1 . 2]" 1
15 1 12 ASN HB3 1 35 PRO QB 4.370 . 4.370 4.080 3.267 4.468 0.098 17 0 "[ . 1 . 2]" 1
16 1 12 ASN HB3 1 35 PRO QD 4.590 . 4.590 4.607 4.500 4.667 0.077 12 0 "[ . 1 . 2]" 1
17 1 12 ASN HB3 1 35 PRO QG 4.490 . 4.490 3.102 2.678 4.008 . 0 0 "[ . 1 . 2]" 1
18 1 13 LEU HA 1 13 LEU MD1 4.090 . 4.090 3.847 3.767 3.939 . 0 0 "[ . 1 . 2]" 1
19 1 13 LEU HA 1 13 LEU MD2 3.050 . 3.050 2.200 2.144 2.268 . 0 0 "[ . 1 . 2]" 1
20 1 13 LEU HA 1 13 LEU HG 3.660 . 3.660 3.309 3.107 3.468 . 0 0 "[ . 1 . 2]" 1
21 1 13 LEU HA 1 50 CYS HB2 3.670 . 3.670 2.485 2.341 2.669 . 0 0 "[ . 1 . 2]" 1
22 1 13 LEU HA 1 50 CYS HB3 3.950 . 3.950 3.024 2.348 3.688 . 0 0 "[ . 1 . 2]" 1
23 1 13 LEU HA 1 51 ALA HA 4.450 . 4.450 2.913 2.352 3.410 . 0 0 "[ . 1 . 2]" 1
24 1 13 LEU HA 1 55 LYS QD 5.500 . 5.500 5.307 4.886 5.569 0.069 20 0 "[ . 1 . 2]" 1
25 1 13 LEU HB2 1 13 LEU MD1 3.090 . 3.090 2.396 2.292 2.479 . 0 0 "[ . 1 . 2]" 1
26 1 13 LEU HB2 1 14 ALA H 4.310 . 4.310 3.074 1.812 4.303 . 0 0 "[ . 1 . 2]" 1
27 1 13 LEU HB3 1 13 LEU MD1 3.070 . 3.070 2.327 2.259 2.425 . 0 0 "[ . 1 . 2]" 1
28 1 13 LEU HB3 1 13 LEU MD2 3.460 . 3.460 2.335 2.247 2.441 . 0 0 "[ . 1 . 2]" 1
29 1 13 LEU HB3 1 50 CYS HB2 4.750 . 4.750 4.734 4.503 4.857 0.107 12 0 "[ . 1 . 2]" 1
30 1 13 LEU HB3 1 51 ALA HA 3.850 . 3.850 2.459 2.322 2.750 . 0 0 "[ . 1 . 2]" 1
31 1 13 LEU HB3 1 52 ASP QB 4.700 . 4.700 3.918 3.093 4.498 . 0 0 "[ . 1 . 2]" 1
32 1 13 LEU MD1 1 36 GLN QG 3.990 . 3.990 3.993 3.419 4.110 0.120 9 0 "[ . 1 . 2]" 1
33 1 13 LEU MD1 1 51 ALA HA 4.830 . 4.830 3.714 3.311 4.458 . 0 0 "[ . 1 . 2]" 1
34 1 13 LEU MD1 1 52 ASP HA 4.460 . 4.460 4.228 3.934 4.488 0.028 6 0 "[ . 1 . 2]" 1
35 1 13 LEU MD1 1 52 ASP HB2 3.510 . 3.510 2.293 2.075 2.585 . 0 0 "[ . 1 . 2]" 1
36 1 13 LEU MD1 1 52 ASP HB3 3.810 . 3.810 2.899 2.071 3.868 0.058 18 0 "[ . 1 . 2]" 1
37 1 13 LEU MD1 1 53 PRO QD 5.370 . 5.370 5.157 4.916 5.388 0.018 7 0 "[ . 1 . 2]" 1
38 1 13 LEU MD1 1 55 LYS QD 4.590 . 4.590 3.430 2.701 4.492 . 0 0 "[ . 1 . 2]" 1
39 1 13 LEU MD1 1 55 LYS QE 4.390 . 4.390 3.932 2.916 4.441 0.051 16 0 "[ . 1 . 2]" 1
40 1 13 LEU MD2 1 38 ALA HA 4.700 . 4.700 4.639 4.286 4.776 0.076 4 0 "[ . 1 . 2]" 1
41 1 13 LEU MD2 1 38 ALA MB 2.910 . 2.910 2.594 2.426 2.714 . 0 0 "[ . 1 . 2]" 1
42 1 13 LEU MD2 1 50 CYS HB2 4.170 . 4.170 3.440 2.606 3.805 . 0 0 "[ . 1 . 2]" 1
43 1 13 LEU MD2 1 50 CYS HB3 3.650 . 3.650 2.979 2.247 3.272 . 0 0 "[ . 1 . 2]" 1
44 1 13 LEU MD2 1 51 ALA HA 3.990 . 3.990 2.577 2.281 3.145 . 0 0 "[ . 1 . 2]" 1
45 1 13 LEU MD2 1 52 ASP HA 4.170 . 4.170 3.491 3.138 3.923 . 0 0 "[ . 1 . 2]" 1
46 1 13 LEU MD2 1 52 ASP QB 4.150 . 4.150 2.554 2.056 3.731 . 0 0 "[ . 1 . 2]" 1
47 1 13 LEU HG 1 38 ALA MB 5.140 . 5.140 5.050 4.748 5.198 0.058 9 0 "[ . 1 . 2]" 1
48 1 13 LEU HG 1 50 CYS HB3 5.450 . 5.450 5.271 4.766 5.538 0.088 10 0 "[ . 1 . 2]" 1
49 1 13 LEU HG 2 4 PHE QD 5.400 . 5.400 5.413 4.505 5.602 0.202 9 0 "[ . 1 . 2]" 1
50 1 14 ALA HA 2 4 PHE QD 5.100 . 5.100 4.657 2.339 5.193 0.093 9 0 "[ . 1 . 2]" 1
51 1 14 ALA MB 1 15 ASN HA 4.480 . 4.480 3.999 3.736 4.417 . 0 0 "[ . 1 . 2]" 1
52 1 14 ALA MB 1 15 ASN QB 5.390 . 5.390 4.147 3.614 4.850 . 0 0 "[ . 1 . 2]" 1
53 1 14 ALA MB 1 15 ASN QD 5.330 . 5.330 4.587 3.465 5.404 0.074 5 0 "[ . 1 . 2]" 1
54 1 14 ALA MB 1 49 ILE MG 2.950 . 2.950 2.145 1.882 2.838 . 0 0 "[ . 1 . 2]" 1
55 1 14 ALA MB 1 50 CYS HA 5.330 . 5.330 5.005 4.502 5.385 0.055 4 0 "[ . 1 . 2]" 1
56 1 14 ALA MB 1 50 CYS HB2 5.500 . 5.500 4.296 3.448 5.067 . 0 0 "[ . 1 . 2]" 1
57 1 14 ALA MB 1 51 ALA HA 4.400 . 4.400 3.972 3.426 4.408 0.008 4 0 "[ . 1 . 2]" 1
58 1 14 ALA MB 1 51 ALA MB 3.270 . 3.270 3.197 2.878 3.346 0.076 16 0 "[ . 1 . 2]" 1
59 1 14 ALA MB 2 4 PHE QD 4.800 . 4.800 4.547 3.891 5.068 0.268 13 0 "[ . 1 . 2]" 1
60 1 15 ASN HA 1 15 ASN QB 2.510 . 2.510 2.297 2.181 2.452 . 0 0 "[ . 1 . 2]" 1
61 1 15 ASN HA 1 16 ARG HA 4.630 . 4.630 4.557 4.389 4.774 0.144 16 0 "[ . 1 . 2]" 1
62 1 15 ASN HA 1 16 ARG HG2 5.360 . 5.360 5.026 4.249 5.400 0.040 2 0 "[ . 1 . 2]" 1
63 1 15 ASN HA 1 55 LYS QD 4.770 . 4.770 4.564 3.034 4.828 0.058 19 0 "[ . 1 . 2]" 1
64 1 15 ASN HA 1 55 LYS HE2 4.330 . 4.330 3.832 2.389 4.383 0.053 9 0 "[ . 1 . 2]" 1
65 1 15 ASN HA 1 55 LYS HE3 4.830 . 4.830 4.555 2.742 5.003 0.173 9 0 "[ . 1 . 2]" 1
66 1 15 ASN HA 2 4 PHE HA 4.000 . 4.000 3.139 2.329 4.145 0.145 16 0 "[ . 1 . 2]" 1
67 1 15 ASN HA 2 4 PHE HZ 5.500 . 5.500 5.387 3.893 5.682 0.182 13 0 "[ . 1 . 2]" 1
68 1 15 ASN QB 1 16 ARG HG3 3.350 . 3.350 2.933 2.447 3.492 0.142 14 0 "[ . 1 . 2]" 1
69 1 16 ARG HA 1 16 ARG QD 4.450 . 4.450 3.818 2.646 4.206 . 0 0 "[ . 1 . 2]" 1
70 1 16 ARG HA 1 16 ARG HG3 3.740 . 3.740 3.362 3.023 3.780 0.040 13 0 "[ . 1 . 2]" 1
71 1 16 ARG HB2 1 16 ARG QD 3.580 . 3.580 2.660 2.404 3.532 . 0 0 "[ . 1 . 2]" 1
72 1 16 ARG HB2 2 9 TYS HB2 4.440 . 4.440 2.889 2.342 3.945 . 0 0 "[ . 1 . 2]" 1
73 1 16 ARG HB3 1 16 ARG QD 3.640 . 3.640 2.361 2.224 2.712 . 0 0 "[ . 1 . 2]" 1
74 1 16 ARG HB3 1 17 LYS QB 5.340 . 5.340 4.107 3.640 4.556 . 0 0 "[ . 1 . 2]" 1
75 1 16 ARG HB3 2 9 TYS HB2 4.680 . 4.680 3.363 2.552 4.550 . 0 0 "[ . 1 . 2]" 1
76 1 17 LYS HA 1 57 TRP HE1 5.000 . 5.000 4.233 3.533 5.183 0.183 20 0 "[ . 1 . 2]" 1
77 1 17 LYS QB 1 17 LYS QD 3.030 . 3.030 2.162 2.106 2.319 . 0 0 "[ . 1 . 2]" 1
78 1 17 LYS QB 1 17 LYS QE 3.900 . 3.900 3.267 2.103 3.706 . 0 0 "[ . 1 . 2]" 1
79 1 17 LYS QB 1 57 TRP QB 3.780 . 3.780 2.319 1.955 3.389 . 0 0 "[ . 1 . 2]" 1
80 1 17 LYS QB 1 57 TRP HD1 5.840 . 5.840 3.766 3.082 4.454 . 0 0 "[ . 1 . 2]" 1
81 1 17 LYS QD 1 20 LEU MD1 4.660 . 4.660 3.901 2.589 4.657 . 0 0 "[ . 1 . 2]" 1
82 1 17 LYS QD 1 57 TRP HA 4.470 . 4.470 3.892 3.162 4.521 0.051 17 0 "[ . 1 . 2]" 1
83 1 17 LYS QD 1 57 TRP QB 3.490 . 3.490 2.517 2.139 2.947 . 0 0 "[ . 1 . 2]" 1
84 1 17 LYS QD 1 57 TRP HD1 5.340 . 5.340 4.785 2.166 5.377 0.037 16 0 "[ . 1 . 2]" 1
85 1 17 LYS HD2 1 57 TRP HB2 4.650 . 4.650 3.056 2.504 4.029 . 0 0 "[ . 1 . 2]" 1
86 1 17 LYS HD2 1 57 TRP HB3 5.000 . 5.000 3.163 2.343 5.222 0.222 20 0 "[ . 1 . 2]" 1
87 1 17 LYS HD3 1 57 TRP HB2 5.300 . 5.300 4.058 2.617 4.894 . 0 0 "[ . 1 . 2]" 1
88 1 17 LYS HD3 1 57 TRP HB3 4.850 . 4.850 3.922 2.755 4.690 . 0 0 "[ . 1 . 2]" 1
89 1 17 LYS QE 1 17 LYS QG 3.020 . 3.020 2.304 2.117 2.883 . 0 0 "[ . 1 . 2]" 1
90 1 17 LYS QE 1 20 LEU MD1 4.300 . 4.300 3.180 1.969 4.383 0.083 20 0 "[ . 1 . 2]" 1
91 1 17 LYS QE 1 57 TRP QB 4.760 . 4.760 3.737 2.546 4.830 0.070 20 0 "[ . 1 . 2]" 1
92 1 17 LYS QG 1 18 ILE H 4.360 . 4.360 2.692 1.735 4.094 . 0 0 "[ . 1 . 2]" 1
93 1 17 LYS QG 1 57 TRP QB 4.270 . 4.270 2.912 2.253 3.828 . 0 0 "[ . 1 . 2]" 1
94 1 18 ILE H 1 18 ILE MG 4.540 . 4.540 3.597 3.463 3.709 . 0 0 "[ . 1 . 2]" 1
95 1 18 ILE HA 1 18 ILE MD 3.360 . 3.360 2.243 2.194 2.290 . 0 0 "[ . 1 . 2]" 1
96 1 18 ILE HA 1 18 ILE HG12 4.150 . 4.150 2.509 2.457 2.555 . 0 0 "[ . 1 . 2]" 1
97 1 18 ILE HA 1 18 ILE HG13 3.700 . 3.700 3.633 3.618 3.644 . 0 0 "[ . 1 . 2]" 1
98 1 18 ILE HA 1 18 ILE MG 3.230 . 3.230 2.708 2.640 2.809 . 0 0 "[ . 1 . 2]" 1
99 1 18 ILE HA 1 19 PRO HD2 3.360 . 3.360 2.243 2.200 2.297 . 0 0 "[ . 1 . 2]" 1
100 1 18 ILE HA 1 19 PRO HD3 3.220 . 3.220 2.578 2.501 2.651 . 0 0 "[ . 1 . 2]" 1
101 1 18 ILE HA 1 19 PRO HG2 4.590 . 4.590 4.419 4.373 4.471 . 0 0 "[ . 1 . 2]" 1
102 1 18 ILE HA 1 19 PRO HG3 4.670 . 4.670 4.586 4.562 4.613 . 0 0 "[ . 1 . 2]" 1
103 1 18 ILE HB 1 19 PRO HD2 4.820 . 4.820 4.365 4.301 4.404 . 0 0 "[ . 1 . 2]" 1
104 1 18 ILE HB 1 23 LEU HG 5.400 . 5.400 5.289 5.015 5.417 0.017 4 0 "[ . 1 . 2]" 1
105 1 18 ILE HB 1 49 ILE QG 5.280 . 5.280 5.080 4.382 5.343 0.063 10 0 "[ . 1 . 2]" 1
106 1 18 ILE MD 1 19 PRO HD2 3.910 . 3.910 2.199 2.041 2.270 . 0 0 "[ . 1 . 2]" 1
107 1 18 ILE MD 1 19 PRO HD3 3.620 . 3.620 3.435 3.147 3.589 . 0 0 "[ . 1 . 2]" 1
108 1 18 ILE MD 1 19 PRO HG2 4.780 . 4.780 3.897 3.570 4.042 . 0 0 "[ . 1 . 2]" 1
109 1 18 ILE MD 1 19 PRO HG3 4.410 . 4.410 4.392 4.074 4.527 0.117 2 0 "[ . 1 . 2]" 1
110 1 18 ILE MD 1 22 ARG HB2 5.000 . 5.000 4.717 4.213 4.925 . 0 0 "[ . 1 . 2]" 1
111 1 18 ILE MD 1 22 ARG HB3 5.440 . 5.440 5.325 4.908 5.471 0.031 14 0 "[ . 1 . 2]" 1
112 1 18 ILE MD 1 22 ARG HD3 5.200 . 5.200 4.931 4.385 5.214 0.014 5 0 "[ . 1 . 2]" 1
113 1 18 ILE MD 1 43 THR HA 5.960 . 5.960 5.818 5.607 6.010 0.050 5 0 "[ . 1 . 2]" 1
114 1 18 ILE MD 1 43 THR HB 4.460 . 4.460 4.338 4.010 4.514 0.054 16 0 "[ . 1 . 2]" 1
115 1 18 ILE MD 1 43 THR MG 2.840 . 2.840 2.280 2.150 2.520 . 0 0 "[ . 1 . 2]" 1
116 1 18 ILE MD 1 49 ILE HB 4.130 . 4.130 3.643 3.265 3.958 . 0 0 "[ . 1 . 2]" 1
117 1 18 ILE MD 1 49 ILE QG 2.970 . 2.970 2.099 2.041 2.250 . 0 0 "[ . 1 . 2]" 1
118 1 18 ILE HG12 1 18 ILE MG 3.400 . 3.400 3.202 3.197 3.218 . 0 0 "[ . 1 . 2]" 1
119 1 18 ILE HG12 1 49 ILE MG 3.020 . 3.020 2.834 2.520 3.023 0.003 5 0 "[ . 1 . 2]" 1
120 1 18 ILE HG13 1 19 PRO HD2 4.830 . 4.830 4.695 4.384 4.835 0.005 2 0 "[ . 1 . 2]" 1
121 1 18 ILE HG13 1 43 THR MG 4.200 . 4.200 3.868 3.355 4.237 0.037 9 0 "[ . 1 . 2]" 1
122 1 18 ILE HG13 1 49 ILE QG 3.240 . 3.240 3.024 2.302 3.318 0.078 19 0 "[ . 1 . 2]" 1
123 1 18 ILE HG13 1 49 ILE MG 3.210 . 3.210 2.437 2.286 2.738 . 0 0 "[ . 1 . 2]" 1
124 1 18 ILE MG 1 19 PRO HA 4.320 . 4.320 4.076 3.987 4.149 . 0 0 "[ . 1 . 2]" 1
125 1 18 ILE MG 1 19 PRO HB2 4.500 . 4.500 4.461 4.402 4.542 0.042 19 0 "[ . 1 . 2]" 1
126 1 18 ILE MG 1 19 PRO HB3 5.000 . 5.000 4.822 4.768 4.856 . 0 0 "[ . 1 . 2]" 1
127 1 18 ILE MG 1 19 PRO HD2 3.280 . 3.280 2.234 2.212 2.272 . 0 0 "[ . 1 . 2]" 1
128 1 18 ILE MG 1 19 PRO HD3 3.620 . 3.620 3.638 3.615 3.663 0.043 11 0 "[ . 1 . 2]" 1
129 1 18 ILE MG 1 19 PRO HG2 4.170 . 4.170 3.147 3.089 3.233 . 0 0 "[ . 1 . 2]" 1
130 1 18 ILE MG 1 19 PRO HG3 4.170 . 4.170 4.255 4.219 4.306 0.136 19 0 "[ . 1 . 2]" 1
131 1 18 ILE MG 1 20 LEU HA 4.150 . 4.150 3.710 3.329 3.934 . 0 0 "[ . 1 . 2]" 1
132 1 18 ILE MG 1 21 GLN QG 5.280 . 5.280 5.179 5.013 5.249 . 0 0 "[ . 1 . 2]" 1
133 1 18 ILE MG 1 22 ARG H 4.610 . 4.610 4.496 4.302 4.646 0.036 4 0 "[ . 1 . 2]" 1
134 1 18 ILE MG 1 22 ARG HB3 5.010 . 5.010 4.699 4.512 4.965 . 0 0 "[ . 1 . 2]" 1
135 1 18 ILE MG 1 22 ARG HD2 5.140 . 5.140 5.146 5.076 5.190 0.050 19 0 "[ . 1 . 2]" 1
136 1 18 ILE MG 1 23 LEU HA 3.690 . 3.690 3.478 3.272 3.695 0.005 6 0 "[ . 1 . 2]" 1
137 1 18 ILE MG 1 23 LEU HB2 4.170 . 4.170 2.273 2.081 2.607 . 0 0 "[ . 1 . 2]" 1
138 1 18 ILE MG 1 23 LEU MD2 3.900 . 3.900 3.389 3.033 3.601 . 0 0 "[ . 1 . 2]" 1
139 1 18 ILE MG 1 23 LEU HG 3.830 . 3.830 3.689 3.359 3.890 0.060 20 0 "[ . 1 . 2]" 1
140 1 18 ILE MG 1 41 PHE HB2 4.270 . 4.270 3.425 3.276 3.793 . 0 0 "[ . 1 . 2]" 1
141 1 18 ILE MG 1 41 PHE HB3 3.920 . 3.920 3.259 3.055 3.557 . 0 0 "[ . 1 . 2]" 1
142 1 18 ILE MG 1 43 THR HA 5.420 . 5.420 5.106 4.791 5.387 . 0 0 "[ . 1 . 2]" 1
143 1 18 ILE MG 1 43 THR HB 4.420 . 4.420 3.702 3.332 4.071 . 0 0 "[ . 1 . 2]" 1
144 1 18 ILE MG 1 43 THR MG 3.140 . 3.140 2.427 2.062 2.826 . 0 0 "[ . 1 . 2]" 1
145 1 18 ILE MG 1 49 ILE QG 4.880 . 4.880 3.841 3.303 4.581 . 0 0 "[ . 1 . 2]" 1
146 1 18 ILE MG 1 49 ILE MG 4.480 . 4.480 4.177 3.943 4.441 . 0 0 "[ . 1 . 2]" 1
147 1 19 PRO HA 1 20 LEU H 3.060 . 3.060 2.187 2.159 2.226 . 0 0 "[ . 1 . 2]" 1
148 1 19 PRO HA 1 20 LEU HA 4.530 . 4.530 4.396 4.359 4.477 . 0 0 "[ . 1 . 2]" 1
149 1 19 PRO HA 1 20 LEU HB2 4.720 . 4.720 4.336 4.276 4.375 . 0 0 "[ . 1 . 2]" 1
150 1 19 PRO HA 1 21 GLN QG 4.410 . 4.410 3.790 3.476 3.964 . 0 0 "[ . 1 . 2]" 1
151 1 19 PRO HB2 1 20 LEU H 4.010 . 4.010 3.604 3.365 3.999 . 0 0 "[ . 1 . 2]" 1
152 1 19 PRO HB2 1 21 GLN QG 3.830 . 3.830 2.077 2.064 2.087 . 0 0 "[ . 1 . 2]" 1
153 1 19 PRO HB2 1 22 ARG H 3.560 . 3.560 2.880 2.697 3.126 . 0 0 "[ . 1 . 2]" 1
154 1 19 PRO HB2 1 22 ARG HD2 4.200 . 4.200 2.600 2.344 2.900 . 0 0 "[ . 1 . 2]" 1
155 1 19 PRO HB2 1 22 ARG HD3 4.400 . 4.400 3.917 3.711 4.110 . 0 0 "[ . 1 . 2]" 1
156 1 19 PRO HB3 1 20 LEU H 4.290 . 4.290 4.008 3.826 4.321 0.031 6 0 "[ . 1 . 2]" 1
157 1 19 PRO HB3 1 22 ARG HD2 4.310 . 4.310 3.577 3.364 3.806 . 0 0 "[ . 1 . 2]" 1
158 1 19 PRO HB3 1 22 ARG HD3 5.090 . 5.090 4.717 4.521 4.896 . 0 0 "[ . 1 . 2]" 1
159 1 19 PRO HB3 2 10 TYS HB2 5.410 . 5.410 4.511 3.713 5.013 . 0 0 "[ . 1 . 2]" 1
160 1 19 PRO HD2 1 21 GLN QG 5.500 . 5.500 5.472 5.351 5.540 0.040 13 0 "[ . 1 . 2]" 1
161 1 19 PRO HD2 1 22 ARG HB2 4.730 . 4.730 4.202 4.079 4.290 . 0 0 "[ . 1 . 2]" 1
162 1 19 PRO HD2 1 22 ARG HD2 4.910 . 4.910 4.546 4.463 4.629 . 0 0 "[ . 1 . 2]" 1
163 1 19 PRO HD2 1 43 THR MG 4.580 . 4.580 4.064 3.749 4.248 . 0 0 "[ . 1 . 2]" 1
164 1 19 PRO HD2 1 49 ILE QG 5.600 . 5.600 5.577 5.350 5.694 0.094 17 0 "[ . 1 . 2]" 1
165 1 19 PRO HD3 1 21 GLN QG 5.500 . 5.500 5.431 5.411 5.459 . 0 0 "[ . 1 . 2]" 1
166 1 19 PRO HD3 1 22 ARG HD2 5.150 . 5.150 4.776 4.652 4.861 . 0 0 "[ . 1 . 2]" 1
167 1 19 PRO HD3 2 9 TYS HB2 4.690 . 4.690 4.071 3.664 4.447 . 0 0 "[ . 1 . 2]" 1
168 1 19 PRO HG2 1 21 GLN QG 4.210 . 4.210 3.582 3.459 3.708 . 0 0 "[ . 1 . 2]" 1
169 1 19 PRO HG2 1 22 ARG HB2 4.040 . 4.040 2.328 2.310 2.355 . 0 0 "[ . 1 . 2]" 1
170 1 19 PRO HG3 1 21 GLN QG 4.580 . 4.580 4.070 3.967 4.192 . 0 0 "[ . 1 . 2]" 1
171 1 19 PRO HG3 1 22 ARG H 4.990 . 4.990 4.722 4.536 4.927 . 0 0 "[ . 1 . 2]" 1
172 1 19 PRO HG3 1 22 ARG HB2 3.800 . 3.800 3.862 3.804 3.907 0.107 19 0 "[ . 1 . 2]" 1
173 1 19 PRO HG3 1 22 ARG HD3 4.800 . 4.800 2.892 2.713 3.009 . 0 0 "[ . 1 . 2]" 1
174 1 20 LEU H 1 20 LEU HB3 3.850 . 3.850 3.516 3.485 3.553 . 0 0 "[ . 1 . 2]" 1
175 1 20 LEU H 1 20 LEU MD1 3.970 . 3.970 2.132 1.946 2.255 . 0 0 "[ . 1 . 2]" 1
176 1 20 LEU H 1 20 LEU HG 4.060 . 4.060 3.920 3.804 4.007 . 0 0 "[ . 1 . 2]" 1
177 1 20 LEU HA 1 20 LEU MD1 3.250 . 3.250 2.312 2.275 2.514 . 0 0 "[ . 1 . 2]" 1
178 1 20 LEU HA 1 20 LEU HG 3.670 . 3.670 2.350 2.276 2.383 . 0 0 "[ . 1 . 2]" 1
179 1 20 LEU HA 1 21 GLN QG 5.100 . 5.100 4.700 4.607 4.744 . 0 0 "[ . 1 . 2]" 1
180 1 20 LEU HA 1 23 LEU HA 5.450 . 5.450 5.065 4.693 5.220 . 0 0 "[ . 1 . 2]" 1
181 1 20 LEU HA 1 23 LEU HB2 4.390 . 4.390 3.334 2.539 3.663 . 0 0 "[ . 1 . 2]" 1
182 1 20 LEU HA 1 23 LEU HB3 3.180 . 3.180 2.267 2.240 2.295 . 0 0 "[ . 1 . 2]" 1
183 1 20 LEU HA 1 23 LEU MD1 3.740 . 3.740 3.406 3.169 3.792 0.052 6 0 "[ . 1 . 2]" 1
184 1 20 LEU HA 1 23 LEU HG 4.000 . 4.000 3.770 3.618 3.951 . 0 0 "[ . 1 . 2]" 1
185 1 20 LEU HA 1 61 SER QB 5.200 . 5.200 5.213 5.048 5.290 0.090 14 0 "[ . 1 . 2]" 1
186 1 20 LEU HB2 1 20 LEU MD1 2.720 . 2.720 2.346 2.317 2.360 . 0 0 "[ . 1 . 2]" 1
187 1 20 LEU HB2 1 21 GLN H 4.170 . 4.170 3.077 2.785 3.204 . 0 0 "[ . 1 . 2]" 1
188 1 20 LEU HB2 1 21 GLN QG 4.610 . 4.610 4.376 4.205 4.464 . 0 0 "[ . 1 . 2]" 1
189 1 20 LEU HB2 1 64 TYR QE 4.560 . 4.560 4.436 4.307 4.566 0.006 11 0 "[ . 1 . 2]" 1
190 1 20 LEU HB3 1 20 LEU MD1 3.240 . 3.240 3.200 3.197 3.204 . 0 0 "[ . 1 . 2]" 1
191 1 20 LEU HB3 1 20 LEU MD2 2.770 . 2.770 2.302 2.245 2.330 . 0 0 "[ . 1 . 2]" 1
192 1 20 LEU HB3 1 20 LEU HG 2.840 . 2.840 2.471 2.451 2.547 . 0 0 "[ . 1 . 2]" 1
193 1 20 LEU HB3 1 21 GLN HA 4.500 . 4.500 4.181 4.055 4.260 . 0 0 "[ . 1 . 2]" 1
194 1 20 LEU HB3 1 21 GLN HB3 5.500 . 5.500 5.304 5.170 5.425 . 0 0 "[ . 1 . 2]" 1
195 1 20 LEU HB3 1 21 GLN QG 5.500 . 5.500 5.014 4.794 5.132 . 0 0 "[ . 1 . 2]" 1
196 1 20 LEU HB3 1 23 LEU HB3 4.620 . 4.620 4.419 3.951 4.626 0.006 8 0 "[ . 1 . 2]" 1
197 1 20 LEU HB3 1 23 LEU MD1 4.650 . 4.650 4.304 4.126 4.605 . 0 0 "[ . 1 . 2]" 1
198 1 20 LEU HB3 1 23 LEU HG 5.800 . 5.800 5.711 5.545 5.836 0.036 5 0 "[ . 1 . 2]" 1
199 1 20 LEU HB3 1 64 TYR QB 5.500 . 5.500 5.127 4.925 5.396 . 0 0 "[ . 1 . 2]" 1
200 1 20 LEU HB3 1 64 TYR QE 4.170 . 4.170 2.939 2.746 3.098 . 0 0 "[ . 1 . 2]" 1
201 1 20 LEU MD1 1 21 GLN QG 4.890 . 4.890 4.912 4.834 4.966 0.076 18 0 "[ . 1 . 2]" 1
202 1 20 LEU MD1 1 23 LEU HB3 4.070 . 4.070 3.944 3.749 4.161 0.091 20 0 "[ . 1 . 2]" 1
203 1 20 LEU MD1 1 61 SER HA 3.380 . 3.380 3.410 3.380 3.450 0.070 20 0 "[ . 1 . 2]" 1
204 1 20 LEU MD1 1 61 SER QB 3.910 . 3.910 3.486 3.153 3.939 0.029 2 0 "[ . 1 . 2]" 1
205 1 20 LEU MD1 1 64 TYR QB 4.340 . 4.340 4.304 4.145 4.383 0.043 8 0 "[ . 1 . 2]" 1
206 1 20 LEU MD1 1 64 TYR QD 3.670 . 3.670 3.676 3.552 3.717 0.047 1 0 "[ . 1 . 2]" 1
207 1 20 LEU MD1 1 64 TYR QE 4.100 . 4.100 4.143 4.112 4.181 0.081 7 0 "[ . 1 . 2]" 1
208 1 20 LEU MD2 1 21 GLN QG 6.000 . 6.000 5.853 5.708 5.928 . 0 0 "[ . 1 . 2]" 1
209 1 20 LEU MD2 1 61 SER HA 3.340 . 3.340 3.324 3.032 3.409 0.069 10 0 "[ . 1 . 2]" 1
210 1 20 LEU MD2 1 61 SER QB 4.480 . 4.480 4.468 4.264 4.551 0.071 20 0 "[ . 1 . 2]" 1
211 1 20 LEU MD2 1 64 TYR QB 3.310 . 3.310 2.667 2.543 2.757 . 0 0 "[ . 1 . 2]" 1
212 1 20 LEU MD2 1 64 TYR QD 3.400 . 3.400 2.619 2.445 2.795 . 0 0 "[ . 1 . 2]" 1
213 1 20 LEU MD2 1 64 TYR QE 4.160 . 4.160 3.325 3.023 3.582 . 0 0 "[ . 1 . 2]" 1
214 1 20 LEU HG 1 61 SER HA 3.930 . 3.930 3.667 3.417 3.829 . 0 0 "[ . 1 . 2]" 1
215 1 20 LEU HG 1 64 TYR QB 4.760 . 4.760 3.950 3.832 4.061 . 0 0 "[ . 1 . 2]" 1
216 1 20 LEU HG 1 64 TYR QD 4.380 . 4.380 2.339 2.316 2.395 . 0 0 "[ . 1 . 2]" 1
217 1 20 LEU HG 1 64 TYR QE 4.210 . 4.210 2.603 2.499 2.702 . 0 0 "[ . 1 . 2]" 1
218 1 21 GLN H 1 21 GLN HB2 3.960 . 3.960 3.574 3.567 3.594 . 0 0 "[ . 1 . 2]" 1
219 1 21 GLN HA 1 21 GLN HB2 2.750 . 2.750 2.574 2.554 2.592 . 0 0 "[ . 1 . 2]" 1
220 1 21 GLN HA 1 21 GLN HB3 2.770 . 2.770 2.354 2.343 2.369 . 0 0 "[ . 1 . 2]" 1
221 1 21 GLN HA 1 21 GLN QG 3.450 . 3.450 3.274 3.266 3.281 . 0 0 "[ . 1 . 2]" 1
222 1 21 GLN HB2 1 21 GLN QG 2.780 . 2.780 2.403 2.369 2.426 . 0 0 "[ . 1 . 2]" 1
223 1 21 GLN HB2 1 22 ARG HD2 4.810 . 4.810 4.866 4.826 4.917 0.107 13 0 "[ . 1 . 2]" 1
224 1 21 GLN HB3 1 21 GLN QG 2.540 . 2.540 2.322 2.298 2.357 . 0 0 "[ . 1 . 2]" 1
225 1 21 GLN QG 1 22 ARG H 4.150 . 4.150 2.024 1.804 2.365 . 0 0 "[ . 1 . 2]" 1
226 1 21 GLN QG 1 22 ARG HA 4.490 . 4.490 3.867 3.783 3.953 . 0 0 "[ . 1 . 2]" 1
227 1 21 GLN QG 1 22 ARG HD2 4.390 . 4.390 2.618 2.526 2.743 . 0 0 "[ . 1 . 2]" 1
228 1 21 GLN QG 1 22 ARG HD3 4.050 . 4.050 4.054 3.978 4.142 0.092 19 0 "[ . 1 . 2]" 1
229 1 21 GLN QG 1 22 ARG QG 4.300 . 4.300 2.405 2.310 2.589 . 0 0 "[ . 1 . 2]" 1
230 1 22 ARG H 1 22 ARG HB2 3.580 . 3.580 2.366 2.296 2.414 . 0 0 "[ . 1 . 2]" 1
231 1 22 ARG H 1 22 ARG HB3 3.870 . 3.870 3.607 3.563 3.652 . 0 0 "[ . 1 . 2]" 1
232 1 22 ARG H 1 22 ARG QG 3.880 . 3.880 2.742 2.595 2.909 . 0 0 "[ . 1 . 2]" 1
233 1 22 ARG H 1 23 LEU H 3.220 . 3.220 2.334 2.105 2.567 . 0 0 "[ . 1 . 2]" 1
234 1 22 ARG H 1 23 LEU HB3 4.230 . 4.230 4.159 3.896 4.283 0.053 7 0 "[ . 1 . 2]" 1
235 1 22 ARG HA 1 22 ARG HB3 2.880 . 2.880 2.528 2.500 2.564 . 0 0 "[ . 1 . 2]" 1
236 1 22 ARG HA 1 22 ARG QG 3.340 . 3.340 2.351 2.303 2.395 . 0 0 "[ . 1 . 2]" 1
237 1 22 ARG HA 1 44 LYS H 4.820 . 4.820 3.924 3.565 4.404 . 0 0 "[ . 1 . 2]" 1
238 1 22 ARG HB2 1 22 ARG HD2 3.910 . 3.910 2.690 2.517 2.810 . 0 0 "[ . 1 . 2]" 1
239 1 22 ARG HB2 1 22 ARG HD3 4.220 . 4.220 2.376 2.324 2.496 . 0 0 "[ . 1 . 2]" 1
240 1 22 ARG HB2 1 23 LEU H 3.500 . 3.500 2.748 2.414 3.208 . 0 0 "[ . 1 . 2]" 1
241 1 22 ARG HB2 1 23 LEU HB3 5.420 . 5.420 4.911 4.648 5.406 . 0 0 "[ . 1 . 2]" 1
242 1 22 ARG HB2 1 43 THR HB 3.840 . 3.840 3.152 2.841 3.481 . 0 0 "[ . 1 . 2]" 1
243 1 22 ARG HB2 1 43 THR MG 3.800 . 3.800 3.815 3.543 3.892 0.092 14 0 "[ . 1 . 2]" 1
244 1 22 ARG HB3 1 23 LEU H 4.250 . 4.250 3.631 3.367 4.045 . 0 0 "[ . 1 . 2]" 1
245 1 22 ARG HB3 1 43 THR HB 3.750 . 3.750 2.562 2.313 3.103 . 0 0 "[ . 1 . 2]" 1
246 1 22 ARG HB3 1 43 THR MG 3.840 . 3.840 3.739 3.501 3.863 0.023 10 0 "[ . 1 . 2]" 1
247 1 22 ARG HB3 1 44 LYS H 3.600 . 3.600 2.909 2.548 3.487 . 0 0 "[ . 1 . 2]" 1
248 1 22 ARG HB3 1 45 LEU MD1 5.050 . 5.050 5.079 4.932 5.168 0.118 19 0 "[ . 1 . 2]" 1
249 1 22 ARG HD2 1 43 THR MG 5.800 . 5.800 5.674 5.440 5.830 0.030 20 0 "[ . 1 . 2]" 1
250 1 22 ARG HD2 1 45 LEU MD1 5.800 . 5.800 5.407 5.261 5.888 0.088 19 0 "[ . 1 . 2]" 1
251 1 22 ARG HD3 1 45 LEU MD1 4.530 . 4.530 4.081 3.914 4.500 . 0 0 "[ . 1 . 2]" 1
252 1 22 ARG QG 1 43 THR HB 5.190 . 5.190 4.506 4.303 4.958 . 0 0 "[ . 1 . 2]" 1
253 1 23 LEU H 1 23 LEU HB2 3.750 . 3.750 2.712 2.472 2.840 . 0 0 "[ . 1 . 2]" 1
254 1 23 LEU H 1 23 LEU HB3 3.540 . 3.540 2.262 2.154 2.432 . 0 0 "[ . 1 . 2]" 1
255 1 23 LEU H 1 23 LEU MD1 4.050 . 4.050 3.784 3.591 4.060 0.010 6 0 "[ . 1 . 2]" 1
256 1 23 LEU H 1 24 GLU H 4.730 . 4.730 4.590 4.534 4.645 . 0 0 "[ . 1 . 2]" 1
257 1 23 LEU HA 1 23 LEU MD1 3.590 . 3.590 3.488 3.393 3.521 . 0 0 "[ . 1 . 2]" 1
258 1 23 LEU HA 1 23 LEU MD2 2.870 . 2.870 2.197 2.069 2.245 . 0 0 "[ . 1 . 2]" 1
259 1 23 LEU HA 1 24 GLU H 3.200 . 3.200 2.192 2.157 2.252 . 0 0 "[ . 1 . 2]" 1
260 1 23 LEU HA 1 24 GLU QG 6.000 . 6.000 5.784 5.740 5.885 . 0 0 "[ . 1 . 2]" 1
261 1 23 LEU HA 1 41 PHE HB3 4.390 . 4.390 4.347 4.153 4.442 0.052 20 0 "[ . 1 . 2]" 1
262 1 23 LEU HA 1 43 THR HA 3.530 . 3.530 2.832 2.343 3.388 . 0 0 "[ . 1 . 2]" 1
263 1 23 LEU HA 1 43 THR HB 3.670 . 3.670 2.467 2.319 2.691 . 0 0 "[ . 1 . 2]" 1
264 1 23 LEU HA 1 43 THR MG 3.810 . 3.810 2.763 2.260 3.397 . 0 0 "[ . 1 . 2]" 1
265 1 23 LEU HA 1 44 LYS H 5.450 . 5.450 4.609 4.141 5.022 . 0 0 "[ . 1 . 2]" 1
266 1 23 LEU HB2 1 23 LEU MD1 3.340 . 3.340 3.207 3.163 3.222 . 0 0 "[ . 1 . 2]" 1
267 1 23 LEU HB2 1 23 LEU MD2 3.570 . 3.570 2.490 2.430 2.630 . 0 0 "[ . 1 . 2]" 1
268 1 23 LEU HB2 1 41 PHE HB3 4.060 . 4.060 3.683 3.424 4.121 0.061 7 0 "[ . 1 . 2]" 1
269 1 23 LEU HB2 1 64 TYR QE 4.980 . 4.980 4.891 4.525 5.047 0.067 19 0 "[ . 1 . 2]" 1
270 1 23 LEU HB2 1 65 LEU MD1 4.770 . 4.770 4.821 4.681 4.972 0.202 14 0 "[ . 1 . 2]" 1
271 1 23 LEU HB3 1 23 LEU MD1 3.440 . 3.440 2.233 2.216 2.252 . 0 0 "[ . 1 . 2]" 1
272 1 23 LEU HB3 1 41 PHE HB3 5.330 . 5.330 5.139 4.930 5.372 0.042 15 0 "[ . 1 . 2]" 1
273 1 23 LEU HB3 1 41 PHE QD 6.000 . 6.000 5.900 5.768 6.032 0.032 11 0 "[ . 1 . 2]" 1
274 1 23 LEU HB3 1 43 THR HB 4.950 . 4.950 4.856 4.530 5.006 0.056 19 0 "[ . 1 . 2]" 1
275 1 23 LEU HB3 1 64 TYR QE 4.830 . 4.830 3.457 3.082 3.624 . 0 0 "[ . 1 . 2]" 1
276 1 23 LEU HB3 1 65 LEU MD1 4.590 . 4.590 4.658 4.554 4.723 0.133 20 0 "[ . 1 . 2]" 1
277 1 23 LEU MD1 1 24 GLU HB3 4.730 . 4.730 4.617 4.416 4.754 0.024 7 0 "[ . 1 . 2]" 1
278 1 23 LEU MD1 1 25 SER HA 3.750 . 3.750 3.319 2.674 3.550 . 0 0 "[ . 1 . 2]" 1
279 1 23 LEU MD1 1 41 PHE HB3 5.000 . 5.000 4.606 4.226 4.794 . 0 0 "[ . 1 . 2]" 1
280 1 23 LEU MD1 1 43 THR HA 5.930 . 5.930 5.335 4.931 5.736 . 0 0 "[ . 1 . 2]" 1
281 1 23 LEU MD1 1 64 TYR QB 5.350 . 5.350 4.786 4.612 4.887 . 0 0 "[ . 1 . 2]" 1
282 1 23 LEU MD1 1 65 LEU MD1 3.470 . 3.470 1.998 1.883 2.078 . 0 0 "[ . 1 . 2]" 1
283 1 23 LEU MD2 1 24 GLU HB3 3.940 . 3.940 3.622 3.543 3.717 . 0 0 "[ . 1 . 2]" 1
284 1 23 LEU MD2 1 26 TYR HA 4.210 . 4.210 3.966 3.796 4.158 . 0 0 "[ . 1 . 2]" 1
285 1 23 LEU MD2 1 41 PHE HA 3.780 . 3.780 2.895 2.653 3.081 . 0 0 "[ . 1 . 2]" 1
286 1 23 LEU MD2 1 41 PHE HB2 3.820 . 3.820 3.643 3.437 3.801 . 0 0 "[ . 1 . 2]" 1
287 1 23 LEU MD2 1 41 PHE HB3 3.370 . 3.370 2.191 2.056 2.339 . 0 0 "[ . 1 . 2]" 1
288 1 23 LEU MD2 1 42 LYS H 4.110 . 4.110 2.938 2.656 3.114 . 0 0 "[ . 1 . 2]" 1
289 1 23 LEU MD2 1 43 THR HA 4.280 . 4.280 3.914 3.510 4.290 0.010 1 0 "[ . 1 . 2]" 1
290 1 23 LEU MD2 1 43 THR HB 4.390 . 4.390 4.125 3.630 4.451 0.061 20 0 "[ . 1 . 2]" 1
291 1 23 LEU MD2 1 43 THR MG 4.130 . 4.130 3.207 2.782 3.538 . 0 0 "[ . 1 . 2]" 1
292 1 23 LEU MD2 1 65 LEU MD1 3.450 . 3.450 2.443 2.207 2.972 . 0 0 "[ . 1 . 2]" 1
293 1 23 LEU HG 1 61 SER HA 5.070 . 5.070 4.810 4.587 5.056 . 0 0 "[ . 1 . 2]" 1
294 1 23 LEU HG 1 65 LEU MD1 3.460 . 3.460 2.953 2.825 3.054 . 0 0 "[ . 1 . 2]" 1
295 1 24 GLU H 1 24 GLU HB2 3.850 . 3.850 3.001 2.913 3.075 . 0 0 "[ . 1 . 2]" 1
296 1 24 GLU H 1 24 GLU HB3 3.500 . 3.500 2.454 2.390 2.555 . 0 0 "[ . 1 . 2]" 1
297 1 24 GLU H 1 24 GLU QG 4.190 . 4.190 3.963 3.912 4.037 . 0 0 "[ . 1 . 2]" 1
298 1 24 GLU H 1 25 SER H 3.330 . 3.330 2.434 2.344 2.533 . 0 0 "[ . 1 . 2]" 1
299 1 24 GLU H 1 43 THR HA 3.710 . 3.710 2.848 2.462 3.425 . 0 0 "[ . 1 . 2]" 1
300 1 24 GLU H 1 43 THR MG 4.850 . 4.850 3.883 3.452 4.449 . 0 0 "[ . 1 . 2]" 1
301 1 24 GLU HA 1 24 GLU HB3 2.960 . 2.960 3.023 3.021 3.028 0.068 12 0 "[ . 1 . 2]" 1
302 1 24 GLU HA 1 24 GLU QG 3.440 . 3.440 2.600 2.353 3.107 . 0 0 "[ . 1 . 2]" 1
303 1 24 GLU HA 1 65 LEU MD2 4.410 . 4.410 3.890 3.639 4.315 . 0 0 "[ . 1 . 2]" 1
304 1 24 GLU HA 1 68 LYS QE 5.360 . 5.360 5.305 5.028 5.452 0.092 18 0 "[ . 1 . 2]" 1
305 1 24 GLU HB2 1 24 GLU QG 2.550 . 2.550 2.401 2.319 2.447 . 0 0 "[ . 1 . 2]" 1
306 1 24 GLU HB2 1 43 THR HA 4.320 . 4.320 3.483 3.206 4.005 . 0 0 "[ . 1 . 2]" 1
307 1 24 GLU HB3 1 24 GLU QG 2.680 . 2.680 2.266 2.195 2.303 . 0 0 "[ . 1 . 2]" 1
308 1 24 GLU HB3 1 25 SER HB2 4.900 . 4.900 4.466 4.142 5.096 0.196 12 0 "[ . 1 . 2]" 1
309 1 24 GLU HB3 1 43 THR HA 3.820 . 3.820 3.589 3.339 3.823 0.003 5 0 "[ . 1 . 2]" 1
310 1 24 GLU QG 1 25 SER HA 4.020 . 4.020 4.048 3.984 4.089 0.069 15 0 "[ . 1 . 2]" 1
311 1 24 GLU QG 1 25 SER HB2 3.720 . 3.720 2.785 2.434 3.956 0.236 12 0 "[ . 1 . 2]" 1
312 1 24 GLU QG 1 25 SER HB3 3.580 . 3.580 2.968 2.587 3.298 . 0 0 "[ . 1 . 2]" 1
313 1 24 GLU QG 1 42 LYS QE 4.990 . 4.990 4.881 4.256 5.029 0.039 20 0 "[ . 1 . 2]" 1
314 1 24 GLU QG 1 42 LYS QG 4.130 . 4.130 3.522 3.171 3.687 . 0 0 "[ . 1 . 2]" 1
315 1 24 GLU QG 1 65 LEU MD2 4.700 . 4.700 4.411 4.154 4.729 0.029 14 0 "[ . 1 . 2]" 1
316 1 25 SER HA 1 25 SER HB2 2.800 . 2.800 2.474 2.332 2.650 . 0 0 "[ . 1 . 2]" 1
317 1 25 SER HA 1 25 SER HB3 3.010 . 3.010 2.980 2.325 3.022 0.012 2 0 "[ . 1 . 2]" 1
318 1 25 SER HA 1 26 TYR H 3.300 . 3.300 2.578 2.371 2.782 . 0 0 "[ . 1 . 2]" 1
319 1 25 SER HA 1 26 TYR HA 4.680 . 4.680 4.488 4.392 4.574 . 0 0 "[ . 1 . 2]" 1
320 1 25 SER HA 1 26 TYR QD 4.400 . 4.400 3.466 3.293 3.632 . 0 0 "[ . 1 . 2]" 1
321 1 25 SER HA 1 41 PHE HA 5.390 . 5.390 5.280 5.088 5.423 0.033 14 0 "[ . 1 . 2]" 1
322 1 25 SER HA 1 41 PHE QD 4.960 . 4.960 4.753 4.528 4.984 0.024 7 0 "[ . 1 . 2]" 1
323 1 25 SER HA 1 65 LEU HB2 5.260 . 5.260 4.947 4.752 5.167 . 0 0 "[ . 1 . 2]" 1
324 1 25 SER HA 1 65 LEU HB3 4.270 . 4.270 4.232 4.101 4.305 0.035 15 0 "[ . 1 . 2]" 1
325 1 25 SER HA 1 65 LEU MD1 3.180 . 3.180 2.351 2.257 2.503 . 0 0 "[ . 1 . 2]" 1
326 1 25 SER HA 1 65 LEU MD2 3.260 . 3.260 2.320 2.261 2.436 . 0 0 "[ . 1 . 2]" 1
327 1 25 SER HA 1 65 LEU HG 5.500 . 5.500 4.718 4.558 4.874 . 0 0 "[ . 1 . 2]" 1
328 1 25 SER HA 1 70 PRO HB2 5.500 . 5.500 4.865 3.506 5.505 0.005 10 0 "[ . 1 . 2]" 1
329 1 25 SER HA 1 70 PRO QB 4.750 . 4.750 4.325 3.320 4.768 0.018 11 0 "[ . 1 . 2]" 1
330 1 25 SER HA 1 70 PRO HB3 5.500 . 5.500 4.956 3.922 5.522 0.022 8 0 "[ . 1 . 2]" 1
331 1 25 SER HA 1 70 PRO QG 4.330 . 4.330 3.496 2.956 4.209 . 0 0 "[ . 1 . 2]" 1
332 1 25 SER HB2 1 26 TYR H 4.150 . 4.150 3.549 2.346 3.801 . 0 0 "[ . 1 . 2]" 1
333 1 25 SER HB2 1 42 LYS QG 5.230 . 5.230 4.302 3.828 4.876 . 0 0 "[ . 1 . 2]" 1
334 1 25 SER HB2 1 65 LEU MD1 4.690 . 4.690 4.394 4.112 4.639 . 0 0 "[ . 1 . 2]" 1
335 1 25 SER HB2 1 65 LEU MD2 4.280 . 4.280 3.685 3.276 4.285 0.005 12 0 "[ . 1 . 2]" 1
336 1 25 SER HB2 1 70 PRO QB 4.690 . 4.690 3.243 2.613 4.402 . 0 0 "[ . 1 . 2]" 1
337 1 25 SER HB3 1 42 LYS QD 4.200 . 4.200 2.626 2.270 4.205 0.005 12 0 "[ . 1 . 2]" 1
338 1 25 SER HB3 1 42 LYS QG 4.560 . 4.560 3.255 2.877 4.518 . 0 0 "[ . 1 . 2]" 1
339 1 25 SER HB3 1 65 LEU MD1 5.500 . 5.500 4.824 4.188 4.973 . 0 0 "[ . 1 . 2]" 1
340 1 25 SER HB3 1 65 LEU MD2 5.020 . 5.020 4.659 3.335 4.955 . 0 0 "[ . 1 . 2]" 1
341 1 25 SER HB3 1 70 PRO QG 5.500 . 5.500 4.585 2.664 5.534 0.034 18 0 "[ . 1 . 2]" 1
342 1 26 TYR H 1 26 TYR HB3 4.130 . 4.130 2.985 2.720 3.160 . 0 0 "[ . 1 . 2]" 1
343 1 26 TYR H 1 26 TYR QD 3.710 . 3.710 2.242 1.925 2.744 . 0 0 "[ . 1 . 2]" 1
344 1 26 TYR H 1 27 ARG H 4.790 . 4.790 4.494 4.436 4.572 . 0 0 "[ . 1 . 2]" 1
345 1 26 TYR H 1 65 LEU MD1 3.920 . 3.920 3.204 2.756 3.650 . 0 0 "[ . 1 . 2]" 1
346 1 26 TYR HA 1 26 TYR QD 3.680 . 3.680 3.701 3.686 3.707 0.027 18 0 "[ . 1 . 2]" 1
347 1 26 TYR HA 1 27 ARG H 3.200 . 3.200 2.390 2.317 2.521 . 0 0 "[ . 1 . 2]" 1
348 1 26 TYR HA 1 27 ARG HA 4.700 . 4.700 4.545 4.512 4.628 . 0 0 "[ . 1 . 2]" 1
349 1 26 TYR HA 1 27 ARG QB 4.350 . 4.350 3.872 3.783 4.203 . 0 0 "[ . 1 . 2]" 1
350 1 26 TYR HA 1 39 VAL HB 4.930 . 4.930 4.656 4.350 4.906 . 0 0 "[ . 1 . 2]" 1
351 1 26 TYR HA 1 39 VAL MG2 5.210 . 5.210 4.864 4.726 5.024 . 0 0 "[ . 1 . 2]" 1
352 1 26 TYR HA 1 40 ILE MG 5.010 . 5.010 4.354 4.221 4.871 . 0 0 "[ . 1 . 2]" 1
353 1 26 TYR HA 1 41 PHE HA 3.070 . 3.070 2.412 2.313 2.580 . 0 0 "[ . 1 . 2]" 1
354 1 26 TYR HA 1 41 PHE HB3 5.020 . 5.020 4.690 4.559 4.877 . 0 0 "[ . 1 . 2]" 1
355 1 26 TYR HA 1 41 PHE QD 3.770 . 3.770 3.327 3.081 3.625 . 0 0 "[ . 1 . 2]" 1
356 1 26 TYR HA 1 65 LEU MD1 4.510 . 4.510 4.398 4.080 4.541 0.031 20 0 "[ . 1 . 2]" 1
357 1 26 TYR HB2 1 27 ARG H 3.610 . 3.610 2.501 2.221 2.669 . 0 0 "[ . 1 . 2]" 1
358 1 26 TYR HB2 1 39 VAL HB 4.730 . 4.730 2.600 2.342 2.857 . 0 0 "[ . 1 . 2]" 1
359 1 26 TYR HB2 1 39 VAL MG1 4.280 . 4.280 4.053 3.773 4.314 0.034 7 0 "[ . 1 . 2]" 1
360 1 26 TYR HB2 1 39 VAL MG2 3.500 . 3.500 3.328 3.244 3.402 . 0 0 "[ . 1 . 2]" 1
361 1 26 TYR HB2 1 41 PHE HA 4.250 . 4.250 3.729 3.548 3.873 . 0 0 "[ . 1 . 2]" 1
362 1 26 TYR HB2 1 41 PHE QD 3.920 . 3.920 3.356 3.276 3.453 . 0 0 "[ . 1 . 2]" 1
363 1 26 TYR HB3 1 27 ARG H 4.260 . 4.260 3.880 3.700 3.982 . 0 0 "[ . 1 . 2]" 1
364 1 26 TYR HB3 1 39 VAL MG2 4.140 . 4.140 4.207 4.144 4.288 0.148 15 0 "[ . 1 . 2]" 1
365 1 26 TYR HB3 1 41 PHE QD 3.020 . 3.020 2.343 2.323 2.412 . 0 0 "[ . 1 . 2]" 1
366 1 26 TYR HB3 1 65 LEU MD1 3.750 . 3.750 2.983 2.575 3.154 . 0 0 "[ . 1 . 2]" 1
367 1 26 TYR QD 1 27 ARG H 3.960 . 3.960 3.072 2.804 3.210 . 0 0 "[ . 1 . 2]" 1
368 1 26 TYR QD 1 27 ARG HA 3.740 . 3.740 3.355 2.967 3.461 . 0 0 "[ . 1 . 2]" 1
369 1 26 TYR QD 1 27 ARG QB 4.730 . 4.730 4.677 4.408 4.738 0.008 13 0 "[ . 1 . 2]" 1
370 1 26 TYR QD 1 28 ARG HG3 5.010 . 5.010 4.948 4.230 5.066 0.056 18 0 "[ . 1 . 2]" 1
371 1 26 TYR QD 1 39 VAL HB 4.340 . 4.340 2.569 2.346 2.707 . 0 0 "[ . 1 . 2]" 1
372 1 26 TYR QD 1 39 VAL MG1 4.790 . 4.790 3.200 2.925 3.502 . 0 0 "[ . 1 . 2]" 1
373 1 26 TYR QD 1 39 VAL MG2 3.950 . 3.950 4.005 3.831 4.084 0.134 19 0 "[ . 1 . 2]" 1
374 1 26 TYR QD 1 62 MET HA 3.520 . 3.520 3.509 3.242 3.614 0.094 7 0 "[ . 1 . 2]" 1
375 1 26 TYR QD 1 62 MET ME 3.940 . 3.940 3.954 3.778 4.027 0.087 14 0 "[ . 1 . 2]" 1
376 1 26 TYR QD 1 65 LEU HB2 3.620 . 3.620 3.564 3.281 3.709 0.089 18 0 "[ . 1 . 2]" 1
377 1 26 TYR QD 1 65 LEU HB3 4.230 . 4.230 3.711 3.363 3.886 . 0 0 "[ . 1 . 2]" 1
378 1 26 TYR QD 1 65 LEU MD1 3.030 . 3.030 2.230 2.068 2.290 . 0 0 "[ . 1 . 2]" 1
379 1 26 TYR QD 1 65 LEU HG 5.100 . 5.100 5.057 4.601 5.178 0.078 16 0 "[ . 1 . 2]" 1
380 1 26 TYR QE 1 27 ARG HA 4.290 . 4.290 4.297 3.914 4.363 0.073 11 0 "[ . 1 . 2]" 1
381 1 26 TYR QE 1 28 ARG HB2 5.490 . 5.490 4.612 4.029 5.524 0.034 20 0 "[ . 1 . 2]" 1
382 1 26 TYR QE 1 62 MET HB2 4.510 . 4.510 3.877 3.521 4.204 . 0 0 "[ . 1 . 2]" 1
383 1 26 TYR QE 1 62 MET HB3 4.650 . 4.650 4.293 4.047 4.407 . 0 0 "[ . 1 . 2]" 1
384 1 26 TYR QE 1 65 LEU HB2 3.930 . 3.930 3.874 3.317 4.055 0.125 11 0 "[ . 1 . 2]" 1
385 1 26 TYR QE 1 65 LEU HB3 4.700 . 4.700 3.806 3.221 4.045 . 0 0 "[ . 1 . 2]" 1
386 1 27 ARG H 1 27 ARG QG 4.670 . 4.670 4.134 2.339 4.370 . 0 0 "[ . 1 . 2]" 1
387 1 27 ARG H 1 40 ILE H 3.610 . 3.610 2.221 1.812 2.812 . 0 0 "[ . 1 . 2]" 1
388 1 27 ARG H 1 41 PHE HA 5.200 . 5.200 4.109 3.957 4.293 . 0 0 "[ . 1 . 2]" 1
389 1 27 ARG HA 1 27 ARG QB 2.590 . 2.590 2.402 2.186 2.520 . 0 0 "[ . 1 . 2]" 1
390 1 27 ARG HA 1 27 ARG HG3 3.650 . 3.650 3.165 2.800 3.595 . 0 0 "[ . 1 . 2]" 1
391 1 27 ARG HA 1 39 VAL HA 5.210 . 5.210 4.868 4.451 5.071 . 0 0 "[ . 1 . 2]" 1
392 1 27 ARG HA 1 40 ILE H 4.660 . 4.660 4.264 3.964 4.639 . 0 0 "[ . 1 . 2]" 1
393 1 27 ARG QB 1 27 ARG QD 2.730 . 2.730 2.335 2.135 2.856 0.126 17 0 "[ . 1 . 2]" 1
394 1 27 ARG QB 1 27 ARG QG 2.410 . 2.410 2.067 2.017 2.100 . 0 0 "[ . 1 . 2]" 1
395 1 27 ARG QB 1 28 ARG H 4.030 . 4.030 3.549 2.994 3.813 . 0 0 "[ . 1 . 2]" 1
396 1 27 ARG QB 1 40 ILE MD 5.100 . 5.100 3.601 3.106 4.911 . 0 0 "[ . 1 . 2]" 1
397 1 27 ARG QB 1 40 ILE MG 4.300 . 4.300 3.551 2.895 4.345 0.045 2 0 "[ . 1 . 2]" 1
398 1 27 ARG QD 1 28 ARG HA 4.790 . 4.790 4.453 3.658 4.882 0.092 10 0 "[ . 1 . 2]" 1
399 1 27 ARG QD 1 40 ILE HB 4.880 . 4.880 4.203 2.557 4.940 0.060 16 0 "[ . 1 . 2]" 1
400 1 27 ARG QD 1 40 ILE MD 4.320 . 4.320 3.675 2.533 4.465 0.145 17 0 "[ . 1 . 2]" 1
401 1 27 ARG QD 1 40 ILE MG 5.490 . 5.490 4.796 3.434 5.590 0.100 11 0 "[ . 1 . 2]" 1
402 1 28 ARG HA 1 28 ARG QD 4.060 . 4.060 4.002 3.938 4.060 0.000 5 0 "[ . 1 . 2]" 1
403 1 28 ARG HA 1 28 ARG HG2 3.650 . 3.650 2.489 2.402 2.587 . 0 0 "[ . 1 . 2]" 1
404 1 28 ARG HA 1 28 ARG HG3 3.340 . 3.340 2.501 2.379 2.616 . 0 0 "[ . 1 . 2]" 1
405 1 28 ARG HA 1 29 ILE H 3.190 . 3.190 2.285 2.220 2.385 . 0 0 "[ . 1 . 2]" 1
406 1 28 ARG HA 1 29 ILE HB 5.460 . 5.460 5.377 5.161 5.504 0.044 14 0 "[ . 1 . 2]" 1
407 1 28 ARG HA 1 29 ILE MD 4.670 . 4.670 4.668 4.528 4.735 0.065 7 0 "[ . 1 . 2]" 1
408 1 28 ARG HA 1 29 ILE HG12 4.630 . 4.630 3.488 3.240 3.829 . 0 0 "[ . 1 . 2]" 1
409 1 28 ARG HA 1 29 ILE QG 3.770 . 3.770 3.107 3.006 3.151 . 0 0 "[ . 1 . 2]" 1
410 1 28 ARG HA 1 29 ILE HG13 4.630 . 4.630 3.523 3.343 3.781 . 0 0 "[ . 1 . 2]" 1
411 1 28 ARG HA 1 29 ILE MG 5.240 . 5.240 4.851 4.465 5.199 . 0 0 "[ . 1 . 2]" 1
412 1 28 ARG HA 1 30 THR MG 4.690 . 4.690 4.334 3.834 4.757 0.067 16 0 "[ . 1 . 2]" 1
413 1 28 ARG HA 1 38 ALA MB 5.060 . 5.060 4.869 4.655 4.984 . 0 0 "[ . 1 . 2]" 1
414 1 28 ARG HA 1 39 VAL HB 4.710 . 4.710 4.339 3.984 4.616 . 0 0 "[ . 1 . 2]" 1
415 1 28 ARG HA 1 39 VAL MG1 4.040 . 4.040 3.452 2.998 3.736 . 0 0 "[ . 1 . 2]" 1
416 1 28 ARG HB2 1 28 ARG QD 3.300 . 3.300 2.865 2.254 3.138 . 0 0 "[ . 1 . 2]" 1
417 1 28 ARG HB2 1 29 ILE HA 5.900 . 5.900 5.757 5.393 5.818 . 0 0 "[ . 1 . 2]" 1
418 1 28 ARG HB2 1 39 VAL HA 4.860 . 4.860 4.376 4.005 4.854 . 0 0 "[ . 1 . 2]" 1
419 1 28 ARG HB3 1 28 ARG QD 3.250 . 3.250 2.450 2.294 3.010 . 0 0 "[ . 1 . 2]" 1
420 1 28 ARG HB3 1 29 ILE HA 4.500 . 4.500 4.523 4.354 4.563 0.063 16 0 "[ . 1 . 2]" 1
421 1 28 ARG HB3 1 30 THR MG 3.420 . 3.420 2.788 2.275 3.362 . 0 0 "[ . 1 . 2]" 1
422 1 28 ARG QD 1 30 THR MG 3.590 . 3.590 2.256 1.925 3.059 . 0 0 "[ . 1 . 2]" 1
423 1 28 ARG QD 1 37 LYS HA 4.760 . 4.760 4.438 3.545 4.784 0.024 12 0 "[ . 1 . 2]" 1
424 1 28 ARG HG2 1 29 ILE H 3.810 . 3.810 2.384 2.129 3.359 . 0 0 "[ . 1 . 2]" 1
425 1 28 ARG HG2 1 30 THR MG 3.670 . 3.670 2.780 2.121 3.419 . 0 0 "[ . 1 . 2]" 1
426 1 28 ARG HG2 1 38 ALA H 3.950 . 3.950 3.009 2.522 3.958 0.008 1 0 "[ . 1 . 2]" 1
427 1 28 ARG HG2 1 38 ALA HA 4.640 . 4.640 4.560 4.205 4.758 0.118 19 0 "[ . 1 . 2]" 1
428 1 28 ARG HG2 1 39 VAL HA 4.010 . 4.010 4.003 3.786 4.053 0.043 10 0 "[ . 1 . 2]" 1
429 1 28 ARG HG3 1 29 ILE H 4.360 . 4.360 3.660 3.404 4.283 . 0 0 "[ . 1 . 2]" 1
430 1 28 ARG HG3 1 30 THR MG 4.530 . 4.530 4.058 3.442 4.577 0.047 20 0 "[ . 1 . 2]" 1
431 1 28 ARG HG3 1 38 ALA HA 5.100 . 5.100 4.649 4.250 5.123 0.023 20 0 "[ . 1 . 2]" 1
432 1 28 ARG HG3 1 39 VAL HA 3.760 . 3.760 3.340 3.044 3.781 0.021 6 0 "[ . 1 . 2]" 1
433 1 28 ARG HG3 1 39 VAL MG1 3.740 . 3.740 2.512 2.307 2.685 . 0 0 "[ . 1 . 2]" 1
434 1 29 ILE H 1 29 ILE HB 3.400 . 3.400 3.236 2.938 3.465 0.065 14 0 "[ . 1 . 2]" 1
435 1 29 ILE H 1 29 ILE HG12 3.790 . 3.790 2.528 2.269 2.844 . 0 0 "[ . 1 . 2]" 1
436 1 29 ILE H 1 29 ILE HG13 3.790 . 3.790 1.877 1.797 2.007 . 0 0 "[ . 1 . 2]" 1
437 1 29 ILE H 1 38 ALA H 4.260 . 4.260 2.901 2.468 3.582 . 0 0 "[ . 1 . 2]" 1
438 1 29 ILE H 1 39 VAL HA 4.480 . 4.480 3.974 3.582 4.355 . 0 0 "[ . 1 . 2]" 1
439 1 29 ILE HA 1 29 ILE HG12 3.890 . 3.890 3.175 2.842 3.409 . 0 0 "[ . 1 . 2]" 1
440 1 29 ILE HA 1 29 ILE QG 3.350 . 3.350 2.977 2.725 3.150 . 0 0 "[ . 1 . 2]" 1
441 1 29 ILE HA 1 29 ILE HG13 3.890 . 3.890 3.614 3.485 3.706 . 0 0 "[ . 1 . 2]" 1
442 1 29 ILE HA 1 29 ILE MG 3.070 . 3.070 2.175 2.154 2.219 . 0 0 "[ . 1 . 2]" 1
443 1 29 ILE HA 1 40 ILE MD 4.020 . 4.020 3.590 3.102 4.109 0.089 14 0 "[ . 1 . 2]" 1
444 1 29 ILE HA 1 40 ILE QG 5.000 . 5.000 5.010 4.618 5.185 0.185 8 0 "[ . 1 . 2]" 1
445 1 29 ILE HB 1 29 ILE MD 3.040 . 3.040 2.402 2.362 2.502 . 0 0 "[ . 1 . 2]" 1
446 1 29 ILE HB 1 30 THR HA 4.830 . 4.830 4.151 3.795 4.607 . 0 0 "[ . 1 . 2]" 1
447 1 29 ILE HB 1 30 THR MG 5.170 . 5.170 4.391 3.828 5.113 . 0 0 "[ . 1 . 2]" 1
448 1 29 ILE HB 1 34 CYS HA 5.420 . 5.420 5.406 4.732 5.611 0.191 15 0 "[ . 1 . 2]" 1
449 1 29 ILE HB 1 37 LYS HA 4.780 . 4.780 4.455 4.056 4.784 0.004 15 0 "[ . 1 . 2]" 1
450 1 29 ILE HB 1 38 ALA H 4.290 . 4.290 4.126 3.712 4.314 0.024 18 0 "[ . 1 . 2]" 1
451 1 29 ILE HB 1 40 ILE MD 4.550 . 4.550 3.989 3.838 4.237 . 0 0 "[ . 1 . 2]" 1
452 1 29 ILE MD 1 29 ILE MG 2.700 . 2.700 1.832 1.767 1.967 . 0 0 "[ . 1 . 2]" 1
453 1 29 ILE MD 1 34 CYS HA 4.870 . 4.870 4.453 4.039 4.882 0.012 11 0 "[ . 1 . 2]" 1
454 1 29 ILE MD 1 34 CYS HB2 4.700 . 4.700 3.129 2.205 3.958 . 0 0 "[ . 1 . 2]" 1
455 1 29 ILE MD 1 34 CYS QB 3.840 . 3.840 2.398 1.922 2.856 . 0 0 "[ . 1 . 2]" 1
456 1 29 ILE MD 1 34 CYS HB3 4.700 . 4.700 2.520 2.115 3.064 . 0 0 "[ . 1 . 2]" 1
457 1 29 ILE MD 1 37 LYS HA 4.950 . 4.950 4.554 4.083 4.986 0.036 17 0 "[ . 1 . 2]" 1
458 1 29 ILE MD 1 38 ALA HA 5.210 . 5.210 4.615 4.337 4.850 . 0 0 "[ . 1 . 2]" 1
459 1 29 ILE MD 1 38 ALA MB 2.850 . 2.850 2.293 2.020 2.649 . 0 0 "[ . 1 . 2]" 1
460 1 29 ILE MD 1 39 VAL HA 5.340 . 5.340 4.678 4.188 5.019 . 0 0 "[ . 1 . 2]" 1
461 1 29 ILE MD 1 39 VAL MG2 5.440 . 5.440 5.340 4.966 5.564 0.124 13 0 "[ . 1 . 2]" 1
462 1 29 ILE MD 1 50 CYS HA 3.500 . 3.500 3.602 3.507 3.684 0.184 10 0 "[ . 1 . 2]" 1
463 1 29 ILE MD 1 50 CYS HB2 5.500 . 5.500 4.508 4.119 4.888 . 0 0 "[ . 1 . 2]" 1
464 1 29 ILE MD 1 50 CYS HB3 4.490 . 4.490 3.144 2.738 3.490 . 0 0 "[ . 1 . 2]" 1
465 1 29 ILE QG 1 29 ILE MG 3.270 . 3.270 2.321 2.274 2.405 . 0 0 "[ . 1 . 2]" 1
466 1 29 ILE QG 1 30 THR HA 5.340 . 5.340 5.058 4.411 5.328 . 0 0 "[ . 1 . 2]" 1
467 1 29 ILE QG 1 38 ALA HA 4.340 . 4.340 4.362 4.041 4.459 0.119 15 0 "[ . 1 . 2]" 1
468 1 29 ILE QG 1 40 ILE QG 4.490 . 4.490 2.271 2.225 2.351 . 0 0 "[ . 1 . 2]" 1
469 1 29 ILE QG 1 50 CYS HB3 5.340 . 5.340 5.049 4.608 5.375 0.035 13 0 "[ . 1 . 2]" 1
470 1 29 ILE MG 1 34 CYS HB2 4.470 . 4.470 3.007 2.140 4.140 . 0 0 "[ . 1 . 2]" 1
471 1 29 ILE MG 1 34 CYS QB 3.690 . 3.690 2.749 2.103 3.720 0.030 16 0 "[ . 1 . 2]" 1
472 1 29 ILE MG 1 34 CYS HB3 4.470 . 4.470 3.378 2.311 4.275 . 0 0 "[ . 1 . 2]" 1
473 1 29 ILE MG 1 35 PRO QD 5.080 . 5.080 4.774 4.012 5.168 0.088 11 0 "[ . 1 . 2]" 1
474 1 29 ILE MG 1 40 ILE MD 2.980 . 2.980 1.971 1.903 2.162 . 0 0 "[ . 1 . 2]" 1
475 1 29 ILE MG 1 40 ILE QG 4.190 . 4.190 3.421 2.999 3.635 . 0 0 "[ . 1 . 2]" 1
476 1 29 ILE MG 1 40 ILE MG 4.680 . 4.680 4.432 4.288 4.717 0.037 7 0 "[ . 1 . 2]" 1
477 1 30 THR HA 1 30 THR HB 2.680 . 2.680 2.417 2.307 2.567 . 0 0 "[ . 1 . 2]" 1
478 1 30 THR HA 1 30 THR MG 2.640 . 2.640 2.419 2.247 2.652 0.012 10 0 "[ . 1 . 2]" 1
479 1 30 THR HA 1 37 LYS HA 4.290 . 4.290 3.595 2.340 4.326 0.036 16 0 "[ . 1 . 2]" 1
480 1 30 THR HB 1 37 LYS QD 4.490 . 4.490 4.114 3.113 4.534 0.044 10 0 "[ . 1 . 2]" 1
481 1 30 THR MG 1 37 LYS HA 3.470 . 3.470 3.007 2.256 3.541 0.071 12 0 "[ . 1 . 2]" 1
482 1 30 THR MG 1 37 LYS QB 3.720 . 3.720 3.009 2.096 3.770 0.050 16 0 "[ . 1 . 2]" 1
483 1 30 THR MG 1 37 LYS QD 3.580 . 3.580 2.672 2.055 3.601 0.021 11 0 "[ . 1 . 2]" 1
484 1 30 THR MG 1 37 LYS QE 3.800 . 3.800 3.554 2.181 3.841 0.041 5 0 "[ . 1 . 2]" 1
485 1 30 THR MG 1 37 LYS HG2 5.120 . 5.120 3.416 2.300 5.005 . 0 0 "[ . 1 . 2]" 1
486 1 30 THR MG 1 37 LYS QG 4.440 . 4.440 2.736 2.024 4.082 . 0 0 "[ . 1 . 2]" 1
487 1 30 THR MG 1 37 LYS HG3 5.120 . 5.120 3.349 2.069 4.746 . 0 0 "[ . 1 . 2]" 1
488 1 34 CYS HA 1 35 PRO QB 4.830 . 4.830 4.728 4.552 4.948 0.118 17 0 "[ . 1 . 2]" 1
489 1 34 CYS HA 1 35 PRO QD 3.430 . 3.430 2.145 2.116 2.182 . 0 0 "[ . 1 . 2]" 1
490 1 34 CYS HA 1 35 PRO HG2 4.750 . 4.750 4.660 4.500 4.848 0.098 17 0 "[ . 1 . 2]" 1
491 1 34 CYS HA 1 35 PRO HG3 4.750 . 4.750 4.493 4.257 4.637 . 0 0 "[ . 1 . 2]" 1
492 1 34 CYS QB 1 35 PRO QD 3.280 . 3.280 2.335 2.248 3.151 . 0 0 "[ . 1 . 2]" 1
493 1 34 CYS HB2 1 35 PRO QD 3.750 . 3.750 3.665 3.421 3.942 0.192 7 0 "[ . 1 . 2]" 1
494 1 34 CYS HB3 1 35 PRO QD 3.750 . 3.750 2.367 2.271 3.314 . 0 0 "[ . 1 . 2]" 1
495 1 35 PRO HA 1 36 GLN HB3 5.490 . 5.490 4.906 4.529 5.736 0.246 1 0 "[ . 1 . 2]" 1
496 1 35 PRO HA 1 36 GLN QG 4.780 . 4.780 4.241 3.594 4.617 . 0 0 "[ . 1 . 2]" 1
497 1 35 PRO QD 1 36 GLN QG 5.250 . 5.250 4.899 3.943 5.337 0.087 4 0 "[ . 1 . 2]" 1
498 1 36 GLN HA 1 36 GLN QG 3.430 . 3.430 3.308 3.046 3.448 0.018 18 0 "[ . 1 . 2]" 1
499 1 36 GLN HB3 1 36 GLN QG 2.710 . 2.710 2.366 2.191 2.488 . 0 0 "[ . 1 . 2]" 1
500 1 36 GLN QG 1 38 ALA MB 3.970 . 3.970 3.454 2.848 4.151 0.181 1 0 "[ . 1 . 2]" 1
501 1 37 LYS HA 1 38 ALA H 3.160 . 3.160 2.216 2.151 2.459 . 0 0 "[ . 1 . 2]" 1
502 1 37 LYS HA 1 38 ALA HA 4.510 . 4.510 4.462 4.426 4.548 0.038 1 0 "[ . 1 . 2]" 1
503 1 37 LYS QB 1 37 LYS QE 4.010 . 4.010 2.859 1.998 3.879 . 0 0 "[ . 1 . 2]" 1
504 1 37 LYS QB 1 38 ALA H 4.470 . 4.470 3.347 2.910 3.894 . 0 0 "[ . 1 . 2]" 1
505 1 37 LYS QB 1 38 ALA HA 4.730 . 4.730 4.185 3.971 4.530 . 0 0 "[ . 1 . 2]" 1
506 1 38 ALA H 1 38 ALA MB 3.490 . 3.490 2.672 2.150 2.824 . 0 0 "[ . 1 . 2]" 1
507 1 38 ALA HA 1 39 VAL H 3.400 . 3.400 2.368 2.211 2.492 . 0 0 "[ . 1 . 2]" 1
508 1 38 ALA HA 1 39 VAL MG1 3.820 . 3.820 3.338 3.172 3.501 . 0 0 "[ . 1 . 2]" 1
509 1 38 ALA HA 1 53 PRO HG2 5.240 . 5.240 4.777 4.602 4.906 . 0 0 "[ . 1 . 2]" 1
510 1 38 ALA HA 1 53 PRO HG3 4.080 . 4.080 4.006 3.787 4.159 0.079 16 0 "[ . 1 . 2]" 1
511 1 38 ALA MB 1 39 VAL H 3.060 . 3.060 2.557 2.223 3.038 . 0 0 "[ . 1 . 2]" 1
512 1 38 ALA MB 1 40 ILE QG 5.200 . 5.200 3.817 3.596 4.000 . 0 0 "[ . 1 . 2]" 1
513 1 38 ALA MB 1 50 CYS HB2 5.500 . 5.500 4.858 4.383 5.278 . 0 0 "[ . 1 . 2]" 1
514 1 38 ALA MB 1 50 CYS HB3 4.580 . 4.580 3.544 3.236 3.911 . 0 0 "[ . 1 . 2]" 1
515 1 38 ALA MB 1 51 ALA H 3.730 . 3.730 2.594 2.291 2.831 . 0 0 "[ . 1 . 2]" 1
516 1 38 ALA MB 1 52 ASP H 3.990 . 3.990 3.784 3.488 4.130 0.140 15 0 "[ . 1 . 2]" 1
517 1 38 ALA MB 1 52 ASP HA 3.280 . 3.280 2.421 2.223 2.612 . 0 0 "[ . 1 . 2]" 1
518 1 38 ALA MB 1 52 ASP HB2 4.000 . 4.000 3.426 2.632 4.038 0.038 4 0 "[ . 1 . 2]" 1
519 1 38 ALA MB 1 52 ASP QB 3.450 . 3.450 3.261 2.598 3.624 0.174 11 0 "[ . 1 . 2]" 1
520 1 38 ALA MB 1 52 ASP HB3 4.500 . 4.500 4.346 3.912 4.569 0.069 7 0 "[ . 1 . 2]" 1
521 1 38 ALA MB 1 53 PRO QD 3.880 . 3.880 3.258 3.016 3.380 . 0 0 "[ . 1 . 2]" 1
522 1 39 VAL H 1 39 VAL MG1 3.870 . 3.870 2.312 2.071 2.599 . 0 0 "[ . 1 . 2]" 1
523 1 39 VAL H 1 51 ALA H 4.530 . 4.530 3.782 3.321 4.305 . 0 0 "[ . 1 . 2]" 1
524 1 39 VAL H 1 53 PRO QD 4.020 . 4.020 2.792 2.474 3.206 . 0 0 "[ . 1 . 2]" 1
525 1 39 VAL HA 1 39 VAL MG1 3.270 . 3.270 2.395 2.356 2.446 . 0 0 "[ . 1 . 2]" 1
526 1 39 VAL HA 1 39 VAL MG2 3.280 . 3.280 3.191 3.186 3.196 . 0 0 "[ . 1 . 2]" 1
527 1 39 VAL HA 1 62 MET ME 4.940 . 4.940 4.964 4.914 5.013 0.073 15 0 "[ . 1 . 2]" 1
528 1 39 VAL HB 1 40 ILE H 3.480 . 3.480 3.053 2.605 3.472 . 0 0 "[ . 1 . 2]" 1
529 1 39 VAL HB 1 41 PHE QD 5.110 . 5.110 4.982 4.839 5.116 0.006 2 0 "[ . 1 . 2]" 1
530 1 39 VAL HB 1 53 PRO QD 5.310 . 5.310 5.369 5.275 5.421 0.111 10 0 "[ . 1 . 2]" 1
531 1 39 VAL HB 1 62 MET HB3 4.860 . 4.860 4.684 4.413 4.884 0.024 5 0 "[ . 1 . 2]" 1
532 1 39 VAL HB 1 62 MET ME 3.780 . 3.780 3.348 3.199 3.506 . 0 0 "[ . 1 . 2]" 1
533 1 39 VAL MG1 1 53 PRO HG3 3.380 . 3.380 3.350 3.229 3.441 0.061 17 0 "[ . 1 . 2]" 1
534 1 39 VAL MG1 1 62 MET ME 2.580 . 2.580 2.012 1.992 2.074 . 0 0 "[ . 1 . 2]" 1
535 1 39 VAL MG2 1 40 ILE H 4.270 . 4.270 3.626 3.174 3.903 . 0 0 "[ . 1 . 2]" 1
536 1 39 VAL MG2 1 41 PHE HA 4.970 . 4.970 4.752 4.568 4.860 . 0 0 "[ . 1 . 2]" 1
537 1 39 VAL MG2 1 50 CYS HA 5.390 . 5.390 4.983 4.649 5.237 . 0 0 "[ . 1 . 2]" 1
538 1 39 VAL MG2 1 51 ALA MB 3.310 . 3.310 2.652 2.370 2.868 . 0 0 "[ . 1 . 2]" 1
539 1 39 VAL MG2 1 53 PRO HA 4.210 . 4.210 3.956 3.758 4.144 . 0 0 "[ . 1 . 2]" 1
540 1 39 VAL MG2 1 53 PRO QB 4.230 . 4.230 3.856 3.714 3.973 . 0 0 "[ . 1 . 2]" 1
541 1 39 VAL MG2 1 53 PRO HG3 4.830 . 4.830 4.887 4.849 4.943 0.113 15 0 "[ . 1 . 2]" 1
542 1 39 VAL MG2 1 58 VAL MG1 2.820 . 2.820 2.097 1.993 2.209 . 0 0 "[ . 1 . 2]" 1
543 1 39 VAL MG2 1 58 VAL MG2 4.230 . 4.230 3.532 3.374 3.680 . 0 0 "[ . 1 . 2]" 1
544 1 39 VAL MG2 1 62 MET HB3 4.100 . 4.100 3.973 3.674 4.135 0.035 5 0 "[ . 1 . 2]" 1
545 1 39 VAL MG2 1 62 MET ME 3.020 . 3.020 2.328 2.154 2.539 . 0 0 "[ . 1 . 2]" 1
546 1 39 VAL MG2 1 62 MET HG2 4.190 . 4.190 3.983 3.622 4.224 0.034 12 0 "[ . 1 . 2]" 1
547 1 39 VAL MG2 1 62 MET HG3 5.700 . 5.700 5.442 5.123 5.670 . 0 0 "[ . 1 . 2]" 1
548 1 40 ILE H 1 40 ILE HB 3.480 . 3.480 2.426 2.226 2.598 . 0 0 "[ . 1 . 2]" 1
549 1 40 ILE H 1 40 ILE MG 4.100 . 4.100 3.737 3.619 3.816 . 0 0 "[ . 1 . 2]" 1
550 1 40 ILE HA 1 40 ILE MD 4.030 . 4.030 3.799 3.770 3.900 . 0 0 "[ . 1 . 2]" 1
551 1 40 ILE HA 1 40 ILE HG12 4.140 . 4.140 2.542 2.491 2.710 . 0 0 "[ . 1 . 2]" 1
552 1 40 ILE HA 1 40 ILE QG 3.450 . 3.450 2.338 2.273 2.542 . 0 0 "[ . 1 . 2]" 1
553 1 40 ILE HA 1 40 ILE HG13 4.140 . 4.140 2.734 2.595 3.074 . 0 0 "[ . 1 . 2]" 1
554 1 40 ILE HA 1 40 ILE MG 3.040 . 3.040 2.484 2.361 2.632 . 0 0 "[ . 1 . 2]" 1
555 1 40 ILE HA 1 41 PHE H 3.190 . 3.190 2.194 2.158 2.237 . 0 0 "[ . 1 . 2]" 1
556 1 40 ILE HA 1 50 CYS HA 3.260 . 3.260 2.693 2.337 3.148 . 0 0 "[ . 1 . 2]" 1
557 1 40 ILE HA 1 51 ALA H 3.980 . 3.980 3.728 3.455 4.003 0.023 15 0 "[ . 1 . 2]" 1
558 1 40 ILE HA 1 51 ALA MB 4.250 . 4.250 4.142 3.599 4.361 0.111 16 0 "[ . 1 . 2]" 1
559 1 40 ILE HB 1 40 ILE MD 2.870 . 2.870 2.290 2.234 2.352 . 0 0 "[ . 1 . 2]" 1
560 1 40 ILE HB 1 48 ASP QB 4.620 . 4.620 4.613 4.394 4.681 0.061 3 0 "[ . 1 . 2]" 1
561 1 40 ILE MD 1 48 ASP HB2 4.620 . 4.620 3.932 3.120 4.599 . 0 0 "[ . 1 . 2]" 1
562 1 40 ILE MD 1 48 ASP QB 4.010 . 4.010 3.330 3.034 3.586 . 0 0 "[ . 1 . 2]" 1
563 1 40 ILE MD 1 48 ASP HB3 4.620 . 4.620 3.785 3.193 4.652 0.032 10 0 "[ . 1 . 2]" 1
564 1 40 ILE MD 1 50 CYS HB3 5.000 . 5.000 4.773 4.250 5.074 0.074 17 0 "[ . 1 . 2]" 1
565 1 40 ILE QG 1 40 ILE MG 2.940 . 2.940 2.267 2.168 2.301 . 0 0 "[ . 1 . 2]" 1
566 1 40 ILE QG 1 50 CYS HA 3.710 . 3.710 2.502 2.231 2.748 . 0 0 "[ . 1 . 2]" 1
567 1 40 ILE HG12 1 40 ILE MG 3.380 . 3.380 2.320 2.206 2.359 . 0 0 "[ . 1 . 2]" 1
568 1 40 ILE HG12 1 50 CYS HA 4.250 . 4.250 2.576 2.340 2.896 . 0 0 "[ . 1 . 2]" 1
569 1 40 ILE HG13 1 40 ILE MG 3.380 . 3.380 3.188 3.176 3.201 . 0 0 "[ . 1 . 2]" 1
570 1 40 ILE HG13 1 50 CYS HA 4.250 . 4.250 3.429 2.814 3.919 . 0 0 "[ . 1 . 2]" 1
571 1 40 ILE MG 1 41 PHE H 3.640 . 3.640 3.166 2.971 3.298 . 0 0 "[ . 1 . 2]" 1
572 1 40 ILE MG 1 42 LYS HA 4.310 . 4.310 3.795 3.648 3.870 . 0 0 "[ . 1 . 2]" 1
573 1 40 ILE MG 1 42 LYS QB 4.690 . 4.690 3.204 2.983 3.786 . 0 0 "[ . 1 . 2]" 1
574 1 40 ILE MG 1 42 LYS QE 4.360 . 4.360 4.152 3.560 4.422 0.062 18 0 "[ . 1 . 2]" 1
575 1 40 ILE MG 1 48 ASP HA 3.520 . 3.520 3.484 3.384 3.577 0.057 19 0 "[ . 1 . 2]" 1
576 1 40 ILE MG 1 48 ASP HB2 3.440 . 3.440 2.954 2.045 3.481 0.041 15 0 "[ . 1 . 2]" 1
577 1 40 ILE MG 1 48 ASP QB 2.960 . 2.960 2.101 2.000 2.157 . 0 0 "[ . 1 . 2]" 1
578 1 40 ILE MG 1 48 ASP HB3 3.440 . 3.440 2.423 2.038 3.178 . 0 0 "[ . 1 . 2]" 1
579 1 40 ILE MG 1 49 ILE H 3.760 . 3.760 2.559 2.374 2.739 . 0 0 "[ . 1 . 2]" 1
580 1 40 ILE MG 1 49 ILE HA 4.570 . 4.570 4.303 3.890 4.430 . 0 0 "[ . 1 . 2]" 1
581 1 40 ILE MG 1 49 ILE HB 4.300 . 4.300 4.043 3.738 4.238 . 0 0 "[ . 1 . 2]" 1
582 1 40 ILE MG 1 50 CYS HA 3.830 . 3.830 3.598 2.700 3.935 0.105 15 0 "[ . 1 . 2]" 1
583 1 41 PHE H 1 41 PHE HB2 3.580 . 3.580 2.521 2.473 2.559 . 0 0 "[ . 1 . 2]" 1
584 1 41 PHE H 1 41 PHE HB3 4.030 . 4.030 3.641 3.620 3.671 . 0 0 "[ . 1 . 2]" 1
585 1 41 PHE H 1 41 PHE QD 4.000 . 4.000 2.791 2.579 2.964 . 0 0 "[ . 1 . 2]" 1
586 1 41 PHE H 1 49 ILE H 4.110 . 4.110 4.068 3.875 4.171 0.061 14 0 "[ . 1 . 2]" 1
587 1 41 PHE HA 1 41 PHE QD 3.210 . 3.210 2.449 2.327 2.590 . 0 0 "[ . 1 . 2]" 1
588 1 41 PHE HA 1 41 PHE QE 4.510 . 4.510 4.472 4.380 4.519 0.009 10 0 "[ . 1 . 2]" 1
589 1 41 PHE HA 1 42 LYS H 3.130 . 3.130 2.160 2.145 2.181 . 0 0 "[ . 1 . 2]" 1
590 1 41 PHE HA 1 49 ILE HB 5.310 . 5.310 5.086 4.721 5.325 0.015 2 0 "[ . 1 . 2]" 1
591 1 41 PHE HA 1 57 TRP HZ3 5.700 . 5.700 5.777 5.600 5.845 0.145 9 0 "[ . 1 . 2]" 1
592 1 41 PHE HA 1 65 LEU MD1 4.810 . 4.810 4.605 4.476 4.770 . 0 0 "[ . 1 . 2]" 1
593 1 41 PHE HB2 1 42 LYS H 4.730 . 4.730 4.285 4.250 4.335 . 0 0 "[ . 1 . 2]" 1
594 1 41 PHE HB2 1 43 THR MG 4.060 . 4.060 4.036 3.815 4.143 0.083 11 0 "[ . 1 . 2]" 1
595 1 41 PHE HB2 1 49 ILE MG 4.210 . 4.210 3.773 3.413 3.995 . 0 0 "[ . 1 . 2]" 1
596 1 41 PHE HB2 1 57 TRP HE3 5.500 . 5.500 5.614 5.572 5.702 0.202 19 0 "[ . 1 . 2]" 1
597 1 41 PHE HB2 1 57 TRP HZ3 5.000 . 5.000 3.270 3.204 3.357 . 0 0 "[ . 1 . 2]" 1
598 1 41 PHE HB3 1 42 LYS H 4.240 . 4.240 3.508 3.489 3.531 . 0 0 "[ . 1 . 2]" 1
599 1 41 PHE HB3 1 43 THR MG 3.870 . 3.870 3.798 3.441 3.952 0.082 7 0 "[ . 1 . 2]" 1
600 1 41 PHE HB3 1 49 ILE MG 5.500 . 5.500 5.169 4.812 5.392 . 0 0 "[ . 1 . 2]" 1
601 1 41 PHE HB3 1 57 TRP HE3 5.850 . 5.850 5.887 5.806 6.089 0.239 20 0 "[ . 1 . 2]" 1
602 1 41 PHE HB3 1 57 TRP HZ3 5.300 . 5.300 3.965 3.702 4.028 . 0 0 "[ . 1 . 2]" 1
603 1 41 PHE HB3 1 65 LEU MD1 4.670 . 4.670 4.581 4.457 4.698 0.028 19 0 "[ . 1 . 2]" 1
604 1 41 PHE QD 1 42 LYS H 4.810 . 4.810 4.090 3.906 4.203 . 0 0 "[ . 1 . 2]" 1
605 1 41 PHE QD 1 49 ILE HB 4.360 . 4.360 3.940 3.582 4.242 . 0 0 "[ . 1 . 2]" 1
606 1 41 PHE QD 1 51 ALA MB 3.080 . 3.080 2.741 2.426 3.120 0.040 16 0 "[ . 1 . 2]" 1
607 1 41 PHE QD 1 58 VAL MG1 4.710 . 4.710 4.281 4.233 4.313 . 0 0 "[ . 1 . 2]" 1
608 1 41 PHE QD 1 58 VAL MG2 4.650 . 4.650 3.913 3.816 4.000 . 0 0 "[ . 1 . 2]" 1
609 1 41 PHE QD 1 61 SER QB 4.290 . 4.290 3.659 3.190 4.011 . 0 0 "[ . 1 . 2]" 1
610 1 41 PHE QD 1 62 MET HA 4.700 . 4.700 4.704 4.550 4.797 0.097 14 0 "[ . 1 . 2]" 1
611 1 41 PHE QD 1 62 MET ME 5.430 . 5.430 5.275 5.020 5.497 0.067 7 0 "[ . 1 . 2]" 1
612 1 41 PHE QD 1 62 MET HG2 5.830 . 5.830 5.835 5.775 5.878 0.048 15 0 "[ . 1 . 2]" 1
613 1 41 PHE QD 1 65 LEU MD1 3.460 . 3.460 3.089 2.843 3.234 . 0 0 "[ . 1 . 2]" 1
614 1 41 PHE QD 1 65 LEU MD2 5.500 . 5.500 5.218 4.976 5.391 . 0 0 "[ . 1 . 2]" 1
615 1 41 PHE QE 1 49 ILE MG 5.500 . 5.500 5.304 5.027 5.533 0.033 20 0 "[ . 1 . 2]" 1
616 1 41 PHE QE 1 51 ALA MB 3.060 . 3.060 2.263 2.138 2.674 . 0 0 "[ . 1 . 2]" 1
617 1 41 PHE QE 1 58 VAL HA 3.960 . 3.960 2.409 2.323 2.678 . 0 0 "[ . 1 . 2]" 1
618 1 41 PHE QE 1 58 VAL MG1 3.090 . 3.090 2.238 2.218 2.258 . 0 0 "[ . 1 . 2]" 1
619 1 41 PHE QE 1 58 VAL MG2 3.450 . 3.450 2.277 2.237 2.305 . 0 0 "[ . 1 . 2]" 1
620 1 41 PHE QE 1 61 SER QB 4.240 . 4.240 2.942 2.434 3.241 . 0 0 "[ . 1 . 2]" 1
621 1 41 PHE QE 1 62 MET HA 3.320 . 3.320 3.140 3.036 3.240 . 0 0 "[ . 1 . 2]" 1
622 1 41 PHE QE 1 62 MET HG2 4.030 . 4.030 3.600 3.532 3.655 . 0 0 "[ . 1 . 2]" 1
623 1 41 PHE QE 1 62 MET HG3 4.710 . 4.710 4.771 4.749 4.803 0.093 3 0 "[ . 1 . 2]" 1
624 1 41 PHE QE 1 65 LEU MD1 3.350 . 3.350 3.243 3.004 3.381 0.031 17 0 "[ . 1 . 2]" 1
625 1 42 LYS H 1 42 LYS HB2 3.910 . 3.910 3.641 3.583 3.707 . 0 0 "[ . 1 . 2]" 1
626 1 42 LYS H 1 42 LYS QB 3.410 . 3.410 2.837 2.664 2.963 . 0 0 "[ . 1 . 2]" 1
627 1 42 LYS H 1 42 LYS HB3 3.910 . 3.910 2.969 2.730 3.156 . 0 0 "[ . 1 . 2]" 1
628 1 42 LYS H 1 42 LYS HG2 3.910 . 3.910 1.985 1.812 2.095 . 0 0 "[ . 1 . 2]" 1
629 1 42 LYS H 1 42 LYS HG3 3.910 . 3.910 2.753 2.185 3.538 . 0 0 "[ . 1 . 2]" 1
630 1 42 LYS HA 1 42 LYS QD 4.650 . 4.650 4.530 4.475 4.564 . 0 0 "[ . 1 . 2]" 1
631 1 42 LYS HA 1 42 LYS QE 4.520 . 4.520 4.281 4.119 4.553 0.033 10 0 "[ . 1 . 2]" 1
632 1 42 LYS HA 1 42 LYS HG2 4.160 . 4.160 3.670 3.621 3.718 . 0 0 "[ . 1 . 2]" 1
633 1 42 LYS HA 1 42 LYS QG 3.470 . 3.470 3.290 3.264 3.314 . 0 0 "[ . 1 . 2]" 1
634 1 42 LYS HA 1 42 LYS HG3 4.160 . 4.160 3.721 3.662 3.842 . 0 0 "[ . 1 . 2]" 1
635 1 42 LYS HA 1 43 THR H 3.160 . 3.160 2.185 2.113 2.307 . 0 0 "[ . 1 . 2]" 1
636 1 42 LYS HA 1 43 THR MG 3.880 . 3.880 3.119 2.951 3.307 . 0 0 "[ . 1 . 2]" 1
637 1 42 LYS HA 1 48 ASP HA 3.300 . 3.300 3.178 2.719 3.346 0.046 9 0 "[ . 1 . 2]" 1
638 1 42 LYS HA 1 49 ILE HB 5.500 . 5.500 4.698 4.429 4.980 . 0 0 "[ . 1 . 2]" 1
639 1 42 LYS HA 1 49 ILE QG 4.990 . 4.990 4.170 3.379 5.097 0.107 7 0 "[ . 1 . 2]" 1
640 1 42 LYS QB 1 42 LYS QD 3.030 . 3.030 2.354 2.323 2.381 . 0 0 "[ . 1 . 2]" 1
641 1 42 LYS QB 1 42 LYS QE 3.110 . 3.110 2.102 1.991 2.324 . 0 0 "[ . 1 . 2]" 1
642 1 42 LYS QB 1 43 THR H 3.980 . 3.980 3.019 2.656 3.328 . 0 0 "[ . 1 . 2]" 1
643 1 42 LYS QB 1 48 ASP HA 4.100 . 4.100 3.835 3.454 4.038 . 0 0 "[ . 1 . 2]" 1
644 1 42 LYS QB 1 48 ASP QB 4.400 . 4.400 4.053 3.284 4.422 0.022 15 0 "[ . 1 . 2]" 1
645 1 42 LYS HB2 1 42 LYS QE 3.560 . 3.560 2.534 2.154 3.175 . 0 0 "[ . 1 . 2]" 1
646 1 42 LYS HB2 1 48 ASP HA 4.880 . 4.880 4.587 4.096 4.905 0.025 4 0 "[ . 1 . 2]" 1
647 1 42 LYS HB3 1 42 LYS QE 3.560 . 3.560 2.302 2.117 2.390 . 0 0 "[ . 1 . 2]" 1
648 1 42 LYS HB3 1 48 ASP HA 4.880 . 4.880 4.153 3.631 4.610 . 0 0 "[ . 1 . 2]" 1
649 1 42 LYS QE 1 42 LYS QG 3.280 . 3.280 2.477 2.336 2.907 . 0 0 "[ . 1 . 2]" 1
650 1 42 LYS QE 1 48 ASP HA 5.500 . 5.500 5.461 5.130 5.564 0.064 20 0 "[ . 1 . 2]" 1
651 1 42 LYS QG 1 43 THR H 4.930 . 4.930 4.091 3.580 4.386 . 0 0 "[ . 1 . 2]" 1
652 1 43 THR H 1 43 THR MG 3.350 . 3.350 2.144 1.960 2.324 . 0 0 "[ . 1 . 2]" 1
653 1 43 THR H 1 44 LYS H 4.580 . 4.580 4.422 4.383 4.523 . 0 0 "[ . 1 . 2]" 1
654 1 43 THR HA 1 43 THR HB 2.820 . 2.820 2.284 2.270 2.312 . 0 0 "[ . 1 . 2]" 1
655 1 43 THR HA 1 43 THR MG 3.210 . 3.210 2.922 2.648 3.117 . 0 0 "[ . 1 . 2]" 1
656 1 43 THR HA 1 44 LYS H 3.410 . 3.410 2.517 2.337 2.605 . 0 0 "[ . 1 . 2]" 1
657 1 43 THR HB 1 44 LYS H 3.430 . 3.430 2.898 2.473 3.444 0.014 18 0 "[ . 1 . 2]" 1
658 1 43 THR HB 1 45 LEU MD2 5.310 . 5.310 3.293 3.004 3.519 . 0 0 "[ . 1 . 2]" 1
659 1 43 THR MG 1 45 LEU HB2 4.230 . 4.230 3.054 2.564 3.737 . 0 0 "[ . 1 . 2]" 1
660 1 43 THR MG 1 45 LEU HB3 4.950 . 4.950 4.431 3.941 5.050 0.100 2 0 "[ . 1 . 2]" 1
661 1 43 THR MG 1 45 LEU MD1 4.980 . 4.980 4.728 4.396 5.104 0.124 16 0 "[ . 1 . 2]" 1
662 1 43 THR MG 1 45 LEU MD2 4.060 . 4.060 2.808 2.216 3.724 . 0 0 "[ . 1 . 2]" 1
663 1 43 THR MG 1 48 ASP HA 5.020 . 5.020 4.518 4.138 4.831 . 0 0 "[ . 1 . 2]" 1
664 1 43 THR MG 1 49 ILE HB 4.410 . 4.410 4.094 3.768 4.425 0.015 18 0 "[ . 1 . 2]" 1
665 1 43 THR MG 1 49 ILE MG 4.460 . 4.460 4.422 4.087 4.585 0.125 8 0 "[ . 1 . 2]" 1
666 1 44 LYS H 1 44 LYS HB2 3.920 . 3.920 2.815 2.298 3.630 . 0 0 "[ . 1 . 2]" 1
667 1 44 LYS H 1 44 LYS QB 3.400 . 3.400 2.484 2.246 2.670 . 0 0 "[ . 1 . 2]" 1
668 1 44 LYS H 1 44 LYS HB3 3.920 . 3.920 3.289 2.601 3.635 . 0 0 "[ . 1 . 2]" 1
669 1 44 LYS QB 1 44 LYS QE 3.740 . 3.740 2.933 2.116 3.810 0.070 10 0 "[ . 1 . 2]" 1
670 1 45 LEU HA 1 45 LEU HB3 2.800 . 2.800 2.772 2.655 2.844 0.044 17 0 "[ . 1 . 2]" 1
671 1 45 LEU HA 1 45 LEU MD1 3.560 . 3.560 2.160 2.116 2.276 . 0 0 "[ . 1 . 2]" 1
672 1 45 LEU HA 1 45 LEU MD2 2.620 . 2.620 2.258 2.145 2.328 . 0 0 "[ . 1 . 2]" 1
673 1 45 LEU HA 1 46 ALA MB 4.300 . 4.300 4.002 3.903 4.106 . 0 0 "[ . 1 . 2]" 1
674 1 45 LEU HB2 1 45 LEU MD1 3.360 . 3.360 3.216 3.173 3.232 . 0 0 "[ . 1 . 2]" 1
675 1 45 LEU HB2 1 45 LEU MD2 2.740 . 2.740 2.459 2.397 2.614 . 0 0 "[ . 1 . 2]" 1
676 1 45 LEU HB3 1 45 LEU MD1 3.190 . 3.190 2.319 2.210 2.383 . 0 0 "[ . 1 . 2]" 1
677 1 45 LEU HB3 1 45 LEU MD2 3.240 . 3.240 3.220 3.214 3.232 . 0 0 "[ . 1 . 2]" 1
678 1 45 LEU HB3 1 46 ALA MB 4.170 . 4.170 3.357 3.245 3.779 . 0 0 "[ . 1 . 2]" 1
679 1 45 LEU HB3 1 47 LYS QE 3.940 . 3.940 2.796 2.241 3.467 . 0 0 "[ . 1 . 2]" 1
680 1 45 LEU HB3 1 47 LYS QG 5.190 . 5.190 4.248 3.262 5.203 0.013 16 0 "[ . 1 . 2]" 1
681 1 45 LEU MD1 1 46 ALA MB 4.080 . 4.080 3.636 3.383 4.086 0.006 16 0 "[ . 1 . 2]" 1
682 1 45 LEU MD2 1 47 LYS QE 4.970 . 4.970 4.655 3.880 4.994 0.024 18 0 "[ . 1 . 2]" 1
683 1 46 ALA H 1 46 ALA MB 3.580 . 3.580 2.836 2.250 2.904 . 0 0 "[ . 1 . 2]" 1
684 1 46 ALA H 1 47 LYS H 3.810 . 3.810 1.669 1.450 3.472 . 0 0 "[ . 1 . 2]" 1
685 1 46 ALA HA 1 47 LYS QB 5.190 . 5.190 4.903 4.594 5.314 0.124 16 0 "[ . 1 . 2]" 1
686 1 46 ALA MB 1 47 LYS H 4.040 . 4.040 3.203 1.772 3.524 . 0 0 "[ . 1 . 2]" 1
687 1 46 ALA MB 1 47 LYS QB 3.900 . 3.900 3.697 3.336 3.944 0.044 19 0 "[ . 1 . 2]" 1
688 1 46 ALA MB 1 47 LYS QE 3.890 . 3.890 3.320 2.253 3.940 0.050 19 0 "[ . 1 . 2]" 1
689 1 46 ALA MB 2 16 LEU HA 4.770 . 4.770 4.749 4.558 4.812 0.042 17 0 "[ . 1 . 2]" 1
690 1 46 ALA MB 2 16 LEU QD 3.900 . 3.900 2.944 2.023 3.940 0.040 8 0 "[ . 1 . 2]" 1
691 1 47 LYS H 1 47 LYS QB 3.490 . 3.490 3.226 2.275 3.385 . 0 0 "[ . 1 . 2]" 1
692 1 47 LYS H 1 47 LYS QG 3.660 . 3.660 2.994 2.597 3.589 . 0 0 "[ . 1 . 2]" 1
693 1 47 LYS HA 1 47 LYS QG 3.740 . 3.740 3.419 3.303 3.500 . 0 0 "[ . 1 . 2]" 1
694 1 47 LYS HA 1 48 ASP H 3.290 . 3.290 2.483 2.288 2.576 . 0 0 "[ . 1 . 2]" 1
695 1 47 LYS QB 1 48 ASP H 3.790 . 3.790 2.305 2.098 2.699 . 0 0 "[ . 1 . 2]" 1
696 1 47 LYS QB 1 48 ASP HA 5.220 . 5.220 4.505 4.297 4.782 . 0 0 "[ . 1 . 2]" 1
697 1 47 LYS QD 1 47 LYS QG 2.410 . 2.410 2.083 2.021 2.110 . 0 0 "[ . 1 . 2]" 1
698 1 47 LYS QD 1 48 ASP HA 4.490 . 4.490 4.110 3.659 4.499 0.009 16 0 "[ . 1 . 2]" 1
699 1 47 LYS QE 1 47 LYS QG 3.020 . 3.020 2.460 2.119 2.920 . 0 0 "[ . 1 . 2]" 1
700 1 47 LYS QE 2 16 LEU QD 5.240 . 5.240 4.791 3.248 5.272 0.032 1 0 "[ . 1 . 2]" 1
701 1 48 ASP H 1 48 ASP QB 3.540 . 3.540 2.596 2.285 2.828 . 0 0 "[ . 1 . 2]" 1
702 1 48 ASP HA 1 49 ILE H 3.390 . 3.390 2.258 2.191 2.273 . 0 0 "[ . 1 . 2]" 1
703 1 48 ASP HA 1 49 ILE QG 4.130 . 4.130 3.514 3.181 4.154 0.024 7 0 "[ . 1 . 2]" 1
704 1 48 ASP QB 1 49 ILE HA 4.460 . 4.460 4.267 4.145 4.442 . 0 0 "[ . 1 . 2]" 1
705 1 48 ASP QB 1 49 ILE QG 5.000 . 5.000 4.618 4.421 5.004 0.004 17 0 "[ . 1 . 2]" 1
706 1 49 ILE H 1 49 ILE HB 3.790 . 3.790 2.672 2.584 2.779 . 0 0 "[ . 1 . 2]" 1
707 1 49 ILE H 1 49 ILE QG 3.710 . 3.710 2.673 2.167 3.345 . 0 0 "[ . 1 . 2]" 1
708 1 49 ILE H 1 49 ILE HG13 4.250 . 4.250 3.719 3.386 4.048 . 0 0 "[ . 1 . 2]" 1
709 1 49 ILE HA 1 49 ILE MD 3.860 . 3.860 2.560 2.099 3.472 . 0 0 "[ . 1 . 2]" 1
710 1 49 ILE HA 1 49 ILE QG 3.670 . 3.670 2.837 2.318 3.136 . 0 0 "[ . 1 . 2]" 1
711 1 49 ILE HA 1 49 ILE MG 3.130 . 3.130 2.266 2.223 2.324 . 0 0 "[ . 1 . 2]" 1
712 1 49 ILE HG12 1 49 ILE MG 3.390 . 3.390 2.892 2.142 3.209 . 0 0 "[ . 1 . 2]" 1
713 1 49 ILE HG13 1 49 ILE MG 3.390 . 3.390 2.476 2.251 2.738 . 0 0 "[ . 1 . 2]" 1
714 1 49 ILE MG 1 50 CYS H 4.200 . 4.200 2.512 2.259 2.729 . 0 0 "[ . 1 . 2]" 1
715 1 49 ILE MG 1 57 TRP HE3 6.000 . 6.000 5.876 5.420 6.061 0.061 7 0 "[ . 1 . 2]" 1
716 1 50 CYS H 1 50 CYS HB3 4.100 . 4.100 3.672 3.608 3.699 . 0 0 "[ . 1 . 2]" 1
717 1 50 CYS HA 1 51 ALA H 3.420 . 3.420 2.319 2.221 2.429 . 0 0 "[ . 1 . 2]" 1
718 1 50 CYS HA 1 51 ALA MB 3.920 . 3.920 3.792 3.711 3.876 . 0 0 "[ . 1 . 2]" 1
719 1 50 CYS HB2 1 51 ALA HA 4.650 . 4.650 4.468 4.234 4.684 0.034 11 0 "[ . 1 . 2]" 1
720 1 50 CYS HB2 1 51 ALA MB 5.500 . 5.500 4.806 4.655 4.940 . 0 0 "[ . 1 . 2]" 1
721 1 50 CYS HB3 1 51 ALA HA 5.030 . 5.030 4.329 4.072 4.682 . 0 0 "[ . 1 . 2]" 1
722 1 51 ALA HA 1 52 ASP H 3.340 . 3.340 2.198 2.152 2.256 . 0 0 "[ . 1 . 2]" 1
723 1 51 ALA HA 1 52 ASP QB 5.120 . 5.120 4.065 3.950 4.280 . 0 0 "[ . 1 . 2]" 1
724 1 51 ALA HA 1 55 LYS QD 4.300 . 4.300 3.604 2.999 4.294 . 0 0 "[ . 1 . 2]" 1
725 1 51 ALA HA 1 58 VAL MG1 5.200 . 5.200 4.566 4.265 4.871 . 0 0 "[ . 1 . 2]" 1
726 1 51 ALA HA 1 58 VAL MG2 5.200 . 5.200 3.532 3.177 3.765 . 0 0 "[ . 1 . 2]" 1
727 1 51 ALA MB 1 52 ASP H 4.210 . 4.210 3.009 2.725 3.220 . 0 0 "[ . 1 . 2]" 1
728 1 51 ALA MB 1 53 PRO HA 5.280 . 5.280 5.026 4.886 5.241 . 0 0 "[ . 1 . 2]" 1
729 1 51 ALA MB 1 57 TRP HZ3 4.900 . 4.900 3.880 3.727 4.168 . 0 0 "[ . 1 . 2]" 1
730 1 51 ALA MB 1 58 VAL HA 4.960 . 4.960 3.717 3.555 3.946 . 0 0 "[ . 1 . 2]" 1
731 1 51 ALA MB 1 58 VAL MG1 3.100 . 3.100 2.557 2.327 2.914 . 0 0 "[ . 1 . 2]" 1
732 1 51 ALA MB 1 58 VAL MG2 3.100 . 3.100 1.913 1.847 1.982 . 0 0 "[ . 1 . 2]" 1
733 1 51 ALA MB 1 62 MET ME 5.200 . 5.200 5.029 4.588 5.248 0.048 18 0 "[ . 1 . 2]" 1
734 1 52 ASP H 1 52 ASP HB2 3.630 . 3.630 2.566 2.224 2.989 . 0 0 "[ . 1 . 2]" 1
735 1 52 ASP H 1 52 ASP HB3 3.630 . 3.630 2.802 2.358 3.570 . 0 0 "[ . 1 . 2]" 1
736 1 52 ASP HA 1 58 VAL MG2 5.310 . 5.310 4.540 4.395 4.650 . 0 0 "[ . 1 . 2]" 1
737 1 52 ASP QB 1 53 PRO QD 4.300 . 4.300 3.125 2.329 3.407 . 0 0 "[ . 1 . 2]" 1
738 1 52 ASP QB 1 54 LYS QB 5.200 . 5.200 3.227 3.026 3.364 . 0 0 "[ . 1 . 2]" 1
739 1 52 ASP QB 1 55 LYS QD 3.910 . 3.910 3.811 3.530 4.060 0.150 15 0 "[ . 1 . 2]" 1
740 1 52 ASP QB 1 55 LYS QE 4.960 . 4.960 4.876 3.704 5.032 0.072 11 0 "[ . 1 . 2]" 1
741 1 52 ASP QB 1 55 LYS HG2 3.840 . 3.840 3.901 3.812 3.987 0.147 18 0 "[ . 1 . 2]" 1
742 1 52 ASP QB 1 55 LYS HG3 4.130 . 4.130 3.898 3.376 4.019 . 0 0 "[ . 1 . 2]" 1
743 1 52 ASP QB 1 58 VAL MG2 5.220 . 5.220 4.216 4.041 4.366 . 0 0 "[ . 1 . 2]" 1
744 1 53 PRO HA 1 58 VAL MG1 2.690 . 2.690 2.048 2.031 2.081 . 0 0 "[ . 1 . 2]" 1
745 1 53 PRO HA 1 59 GLN QB 4.870 . 4.870 4.923 4.875 4.991 0.121 16 0 "[ . 1 . 2]" 1
746 1 53 PRO HA 1 59 GLN HG2 4.090 . 4.090 3.030 2.923 3.194 . 0 0 "[ . 1 . 2]" 1
747 1 53 PRO HA 1 62 MET ME 3.900 . 3.900 3.377 3.157 3.665 . 0 0 "[ . 1 . 2]" 1
748 1 53 PRO QB 1 54 LYS H 4.020 . 4.020 3.985 3.930 4.014 . 0 0 "[ . 1 . 2]" 1
749 1 53 PRO QB 1 54 LYS HA 4.470 . 4.470 4.466 4.425 4.487 0.017 4 0 "[ . 1 . 2]" 1
750 1 53 PRO QB 1 62 MET ME 3.200 . 3.200 2.592 2.311 2.858 . 0 0 "[ . 1 . 2]" 1
751 1 53 PRO HG2 1 54 LYS QE 3.800 . 3.800 3.748 2.909 3.942 0.142 14 0 "[ . 1 . 2]" 1
752 1 54 LYS H 1 54 LYS QB 3.060 . 3.060 2.734 2.566 2.845 . 0 0 "[ . 1 . 2]" 1
753 1 54 LYS H 1 54 LYS QG 4.570 . 4.570 3.420 2.960 4.356 . 0 0 "[ . 1 . 2]" 1
754 1 54 LYS H 1 55 LYS H 3.240 . 3.240 1.888 1.675 2.206 . 0 0 "[ . 1 . 2]" 1
755 1 54 LYS H 1 55 LYS HB2 5.000 . 5.000 4.663 4.292 4.821 . 0 0 "[ . 1 . 2]" 1
756 1 54 LYS HA 1 54 LYS QB 2.750 . 2.750 2.421 2.336 2.566 . 0 0 "[ . 1 . 2]" 1
757 1 54 LYS HA 1 54 LYS QG 3.060 . 3.060 2.443 2.220 2.878 . 0 0 "[ . 1 . 2]" 1
758 1 54 LYS HA 1 55 LYS HA 5.170 . 5.170 4.729 4.677 4.788 . 0 0 "[ . 1 . 2]" 1
759 1 54 LYS HA 1 58 VAL MG1 5.500 . 5.500 5.282 5.172 5.386 . 0 0 "[ . 1 . 2]" 1
760 1 54 LYS HA 1 59 GLN HG3 4.330 . 4.330 4.402 4.377 4.443 0.113 20 0 "[ . 1 . 2]" 1
761 1 54 LYS QB 1 54 LYS QE 3.960 . 3.960 3.417 2.209 3.830 . 0 0 "[ . 1 . 2]" 1
762 1 54 LYS QB 1 55 LYS H 3.520 . 3.520 2.532 2.191 2.807 . 0 0 "[ . 1 . 2]" 1
763 1 54 LYS QB 1 59 GLN HG2 5.490 . 5.490 5.497 5.412 5.550 0.060 8 0 "[ . 1 . 2]" 1
764 1 54 LYS QE 1 54 LYS QG 2.680 . 2.680 2.246 2.109 2.725 0.045 14 0 "[ . 1 . 2]" 1
765 1 55 LYS H 1 55 LYS HG2 3.500 . 3.500 2.007 1.840 2.553 . 0 0 "[ . 1 . 2]" 1
766 1 55 LYS H 1 55 LYS HG3 3.040 . 3.040 1.830 1.738 2.084 . 0 0 "[ . 1 . 2]" 1
767 1 55 LYS H 1 58 VAL HB 4.000 . 4.000 3.246 2.960 3.607 . 0 0 "[ . 1 . 2]" 1
768 1 55 LYS H 1 58 VAL MG2 3.920 . 3.920 3.230 3.112 3.386 . 0 0 "[ . 1 . 2]" 1
769 1 55 LYS HA 1 55 LYS HB3 2.860 . 2.860 2.276 2.264 2.305 . 0 0 "[ . 1 . 2]" 1
770 1 55 LYS HA 1 55 LYS HG2 3.120 . 3.120 3.084 2.826 3.193 0.073 17 0 "[ . 1 . 2]" 1
771 1 55 LYS HA 1 56 LYS HA 5.140 . 5.140 4.289 4.279 4.299 . 0 0 "[ . 1 . 2]" 1
772 1 55 LYS HA 1 58 VAL MG2 4.600 . 4.600 4.482 4.413 4.593 . 0 0 "[ . 1 . 2]" 1
773 1 55 LYS HB2 1 56 LYS HA 5.440 . 5.440 5.028 4.921 5.131 . 0 0 "[ . 1 . 2]" 1
774 1 55 LYS HB2 1 58 VAL MG2 3.320 . 3.320 2.261 2.184 2.275 . 0 0 "[ . 1 . 2]" 1
775 1 55 LYS HB3 1 55 LYS QE 4.510 . 4.510 2.463 2.222 3.738 . 0 0 "[ . 1 . 2]" 1
776 1 55 LYS QD 1 58 VAL MG2 3.660 . 3.660 2.593 2.133 3.626 . 0 0 "[ . 1 . 2]" 1
777 1 55 LYS QE 1 58 VAL MG2 4.160 . 4.160 3.770 2.141 4.173 0.013 3 0 "[ . 1 . 2]" 1
778 1 55 LYS HE2 1 58 VAL MG2 4.900 . 4.900 4.339 2.167 4.781 . 0 0 "[ . 1 . 2]" 1
779 1 55 LYS HE3 1 58 VAL MG2 4.900 . 4.900 4.236 2.242 4.906 0.006 15 0 "[ . 1 . 2]" 1
780 1 55 LYS HG3 1 58 VAL HA 5.870 . 5.870 5.315 5.175 5.774 . 0 0 "[ . 1 . 2]" 1
781 1 55 LYS HG3 1 58 VAL MG2 3.070 . 3.070 2.121 2.055 2.559 . 0 0 "[ . 1 . 2]" 1
782 1 56 LYS HA 1 56 LYS QG 3.500 . 3.500 2.337 2.302 2.551 . 0 0 "[ . 1 . 2]" 1
783 1 56 LYS HA 1 59 GLN QB 3.900 . 3.900 3.677 3.426 3.931 0.031 16 0 "[ . 1 . 2]" 1
784 1 56 LYS HA 1 59 GLN HG2 4.540 . 4.540 4.644 4.633 4.672 0.132 20 0 "[ . 1 . 2]" 1
785 1 56 LYS HA 1 59 GLN HG3 3.760 . 3.760 2.923 2.896 2.981 . 0 0 "[ . 1 . 2]" 1
786 1 56 LYS HA 1 60 ASP H 4.880 . 4.880 4.046 3.848 4.372 . 0 0 "[ . 1 . 2]" 1
787 1 56 LYS HA 1 60 ASP HB2 5.500 . 5.500 4.367 4.070 4.715 . 0 0 "[ . 1 . 2]" 1
788 1 56 LYS QB 1 57 TRP QB 5.010 . 5.010 3.809 3.756 3.943 . 0 0 "[ . 1 . 2]" 1
789 1 56 LYS QD 1 56 LYS QG 2.310 . 2.310 2.053 2.013 2.112 . 0 0 "[ . 1 . 2]" 1
790 1 56 LYS QD 1 60 ASP HB2 4.320 . 4.320 4.119 2.638 4.361 0.041 20 0 "[ . 1 . 2]" 1
791 1 56 LYS QD 1 60 ASP HB3 5.280 . 5.280 4.866 3.166 5.309 0.029 10 0 "[ . 1 . 2]" 1
792 1 56 LYS QE 1 56 LYS QG 3.050 . 3.050 2.291 2.117 2.908 . 0 0 "[ . 1 . 2]" 1
793 1 56 LYS QG 1 57 TRP HA 4.430 . 4.430 3.755 3.210 4.230 . 0 0 "[ . 1 . 2]" 1
794 1 56 LYS QG 1 59 GLN QB 4.830 . 4.830 4.319 4.170 4.548 . 0 0 "[ . 1 . 2]" 1
795 1 56 LYS QG 1 59 GLN HG3 4.810 . 4.810 4.605 4.537 4.815 0.005 10 0 "[ . 1 . 2]" 1
796 1 57 TRP HA 1 57 TRP HB2 2.940 . 2.940 2.366 2.345 2.519 . 0 0 "[ . 1 . 2]" 1
797 1 57 TRP HA 1 57 TRP QB 2.570 . 2.570 2.180 2.164 2.399 . 0 0 "[ . 1 . 2]" 1
798 1 57 TRP HA 1 57 TRP HB3 2.940 . 2.940 2.557 2.513 3.014 0.074 20 0 "[ . 1 . 2]" 1
799 1 57 TRP HA 1 58 VAL MG2 5.430 . 5.430 5.008 4.909 5.141 . 0 0 "[ . 1 . 2]" 1
800 1 57 TRP HA 1 60 ASP H 4.130 . 4.130 3.473 3.309 3.588 . 0 0 "[ . 1 . 2]" 1
801 1 57 TRP HA 1 60 ASP HB2 3.360 . 3.360 3.355 3.089 3.417 0.057 17 0 "[ . 1 . 2]" 1
802 1 57 TRP HA 1 60 ASP HB3 4.030 . 4.030 2.502 2.346 2.687 . 0 0 "[ . 1 . 2]" 1
803 1 57 TRP QB 1 57 TRP HD1 3.370 . 3.370 2.626 2.607 2.676 . 0 0 "[ . 1 . 2]" 1
804 1 57 TRP QB 1 57 TRP HE3 3.540 . 3.540 2.581 2.552 2.598 . 0 0 "[ . 1 . 2]" 1
805 1 57 TRP QB 1 58 VAL MG2 4.350 . 4.350 4.239 3.386 4.351 0.001 10 0 "[ . 1 . 2]" 1
806 1 57 TRP HB2 1 57 TRP HE3 4.090 . 4.090 2.682 2.578 4.114 0.024 20 0 "[ . 1 . 2]" 1
807 1 57 TRP HB2 1 58 VAL MG2 5.140 . 5.140 4.746 4.623 4.840 . 0 0 "[ . 1 . 2]" 1
808 1 57 TRP HB3 1 57 TRP HE3 4.090 . 4.090 4.062 2.605 4.153 0.063 16 0 "[ . 1 . 2]" 1
809 1 57 TRP HB3 1 58 VAL MG2 5.640 . 5.640 4.813 3.458 4.973 . 0 0 "[ . 1 . 2]" 1
810 1 57 TRP HE3 1 58 VAL HA 4.070 . 4.070 3.589 3.106 3.710 . 0 0 "[ . 1 . 2]" 1
811 1 57 TRP HZ3 1 58 VAL MG2 5.150 . 5.150 4.056 3.892 4.257 . 0 0 "[ . 1 . 2]" 1
812 1 58 VAL H 1 58 VAL HB 3.080 . 3.080 2.448 2.387 2.559 . 0 0 "[ . 1 . 2]" 1
813 1 58 VAL H 1 58 VAL MG1 3.890 . 3.890 3.760 3.737 3.770 . 0 0 "[ . 1 . 2]" 1
814 1 58 VAL H 1 58 VAL MG2 3.090 . 3.090 2.300 2.072 2.401 . 0 0 "[ . 1 . 2]" 1
815 1 58 VAL H 1 59 GLN H 3.230 . 3.230 2.702 2.623 2.959 . 0 0 "[ . 1 . 2]" 1
816 1 58 VAL HA 1 58 VAL MG1 3.000 . 3.000 2.398 2.356 2.425 . 0 0 "[ . 1 . 2]" 1
817 1 58 VAL HA 1 58 VAL MG2 3.070 . 3.070 2.250 2.224 2.293 . 0 0 "[ . 1 . 2]" 1
818 1 58 VAL HA 1 59 GLN HA 5.080 . 5.080 4.732 4.707 4.774 . 0 0 "[ . 1 . 2]" 1
819 1 58 VAL HA 1 61 SER QB 4.040 . 4.040 3.103 2.632 3.631 . 0 0 "[ . 1 . 2]" 1
820 1 58 VAL HB 1 59 GLN H 3.350 . 3.350 2.345 2.304 2.400 . 0 0 "[ . 1 . 2]" 1
821 1 58 VAL MG1 1 59 GLN H 4.140 . 4.140 3.089 2.997 3.156 . 0 0 "[ . 1 . 2]" 1
822 1 58 VAL MG1 1 59 GLN HA 3.540 . 3.540 3.226 3.152 3.302 . 0 0 "[ . 1 . 2]" 1
823 1 58 VAL MG1 1 59 GLN QB 4.560 . 4.560 4.371 4.253 4.438 . 0 0 "[ . 1 . 2]" 1
824 1 58 VAL MG1 1 59 GLN HG2 4.020 . 4.020 3.094 2.911 3.239 . 0 0 "[ . 1 . 2]" 1
825 1 58 VAL MG1 1 59 GLN HG3 4.380 . 4.380 4.198 4.109 4.286 . 0 0 "[ . 1 . 2]" 1
826 1 58 VAL MG1 1 61 SER QB 4.920 . 4.920 4.270 3.894 4.816 . 0 0 "[ . 1 . 2]" 1
827 1 58 VAL MG1 1 62 MET ME 2.530 . 2.530 2.411 2.215 2.546 0.016 8 0 "[ . 1 . 2]" 1
828 1 58 VAL MG1 1 62 MET HG2 5.000 . 5.000 3.610 3.365 3.818 . 0 0 "[ . 1 . 2]" 1
829 1 58 VAL MG2 1 59 GLN HA 5.370 . 5.370 5.379 5.362 5.394 0.024 9 0 "[ . 1 . 2]" 1
830 1 58 VAL MG2 1 59 GLN HG3 5.220 . 5.220 4.845 4.744 4.985 . 0 0 "[ . 1 . 2]" 1
831 1 58 VAL MG2 1 61 SER H 5.340 . 5.340 5.192 5.095 5.271 . 0 0 "[ . 1 . 2]" 1
832 1 58 VAL MG2 1 61 SER QB 5.500 . 5.500 4.563 4.237 4.850 . 0 0 "[ . 1 . 2]" 1
833 1 59 GLN H 1 59 GLN QB 3.170 . 3.170 2.774 2.741 2.800 . 0 0 "[ . 1 . 2]" 1
834 1 59 GLN H 1 59 GLN HG2 3.370 . 3.370 2.200 2.108 2.278 . 0 0 "[ . 1 . 2]" 1
835 1 59 GLN H 1 59 GLN HG3 3.710 . 3.710 2.003 1.936 2.082 . 0 0 "[ . 1 . 2]" 1
836 1 59 GLN H 1 60 ASP H 3.610 . 3.610 2.607 2.556 2.679 . 0 0 "[ . 1 . 2]" 1
837 1 59 GLN HA 1 59 GLN HG2 3.300 . 3.300 2.725 2.657 2.765 . 0 0 "[ . 1 . 2]" 1
838 1 59 GLN HA 1 59 GLN HG3 3.640 . 3.640 3.653 3.609 3.698 0.058 16 0 "[ . 1 . 2]" 1
839 1 59 GLN HA 1 62 MET HB3 5.050 . 5.050 5.006 4.813 5.109 0.059 20 0 "[ . 1 . 2]" 1
840 1 59 GLN HA 1 62 MET ME 3.050 . 3.050 2.788 2.412 3.040 . 0 0 "[ . 1 . 2]" 1
841 1 59 GLN HA 1 62 MET HG2 3.700 . 3.700 2.704 2.500 2.822 . 0 0 "[ . 1 . 2]" 1
842 1 59 GLN HA 1 62 MET HG3 4.450 . 4.450 3.106 2.884 3.295 . 0 0 "[ . 1 . 2]" 1
843 1 59 GLN HA 1 63 LYS H 4.400 . 4.400 4.251 4.098 4.415 0.015 13 0 "[ . 1 . 2]" 1
844 1 59 GLN QB 1 59 GLN HG3 2.580 . 2.580 2.259 2.246 2.269 . 0 0 "[ . 1 . 2]" 1
845 1 59 GLN QB 1 60 ASP H 3.290 . 3.290 2.816 2.774 2.844 . 0 0 "[ . 1 . 2]" 1
846 1 59 GLN QB 1 60 ASP HA 4.480 . 4.480 3.877 3.861 3.891 . 0 0 "[ . 1 . 2]" 1
847 1 59 GLN QB 1 60 ASP HB2 4.620 . 4.620 4.035 3.983 4.132 . 0 0 "[ . 1 . 2]" 1
848 1 59 GLN QB 1 60 ASP HB3 5.500 . 5.500 5.057 4.995 5.146 . 0 0 "[ . 1 . 2]" 1
849 1 59 GLN QB 1 62 MET HG2 4.790 . 4.790 4.553 4.373 4.679 . 0 0 "[ . 1 . 2]" 1
850 1 59 GLN QB 1 62 MET HG3 4.800 . 4.800 4.395 4.194 4.542 . 0 0 "[ . 1 . 2]" 1
851 1 59 GLN HG2 1 62 MET ME 4.030 . 4.030 3.996 3.741 4.071 0.041 8 0 "[ . 1 . 2]" 1
852 1 60 ASP H 1 60 ASP HB3 3.400 . 3.400 2.683 2.647 2.715 . 0 0 "[ . 1 . 2]" 1
853 1 60 ASP H 1 61 SER H 3.610 . 3.610 2.538 2.482 2.607 . 0 0 "[ . 1 . 2]" 1
854 1 60 ASP H 1 63 LYS QB 4.650 . 4.650 4.609 4.514 4.674 0.024 13 0 "[ . 1 . 2]" 1
855 1 60 ASP HA 1 60 ASP HB2 2.990 . 2.990 2.563 2.541 2.584 . 0 0 "[ . 1 . 2]" 1
856 1 60 ASP HA 1 63 LYS H 4.020 . 4.020 3.610 3.454 3.725 . 0 0 "[ . 1 . 2]" 1
857 1 60 ASP HA 1 63 LYS QB 2.940 . 2.940 2.420 2.295 2.569 . 0 0 "[ . 1 . 2]" 1
858 1 60 ASP HB2 1 63 LYS QB 5.030 . 5.030 4.771 4.631 4.923 . 0 0 "[ . 1 . 2]" 1
859 1 60 ASP HB3 1 61 SER H 3.540 . 3.540 2.812 2.520 2.960 . 0 0 "[ . 1 . 2]" 1
860 1 60 ASP HB3 1 61 SER QB 4.570 . 4.570 4.373 4.122 4.717 0.147 20 0 "[ . 1 . 2]" 1
861 1 60 ASP HB3 1 63 LYS QB 5.070 . 5.070 4.978 4.808 5.101 0.031 16 0 "[ . 1 . 2]" 1
862 1 61 SER H 1 62 MET H 3.500 . 3.500 2.810 2.745 2.959 . 0 0 "[ . 1 . 2]" 1
863 1 61 SER H 1 63 LYS H 4.150 . 4.150 3.988 3.868 4.135 . 0 0 "[ . 1 . 2]" 1
864 1 61 SER HA 1 61 SER QB 2.800 . 2.800 2.253 2.179 2.402 . 0 0 "[ . 1 . 2]" 1
865 1 61 SER HA 1 63 LYS QB 5.040 . 5.040 5.045 4.976 5.076 0.036 15 0 "[ . 1 . 2]" 1
866 1 61 SER HA 1 64 TYR QB 3.490 . 3.490 2.748 2.416 2.970 . 0 0 "[ . 1 . 2]" 1
867 1 61 SER HA 1 64 TYR QD 3.560 . 3.560 2.781 2.593 2.997 . 0 0 "[ . 1 . 2]" 1
868 1 61 SER HA 1 65 LEU MD1 4.660 . 4.660 4.214 4.051 4.382 . 0 0 "[ . 1 . 2]" 1
869 1 61 SER HA 1 65 LEU HG 5.130 . 5.130 4.890 4.319 5.160 0.030 10 0 "[ . 1 . 2]" 1
870 1 61 SER QB 1 62 MET ME 5.060 . 5.060 4.873 4.669 5.125 0.065 5 0 "[ . 1 . 2]" 1
871 1 61 SER QB 1 64 TYR QB 5.040 . 5.040 4.461 4.245 4.702 . 0 0 "[ . 1 . 2]" 1
872 1 61 SER QB 1 64 TYR QD 4.250 . 4.250 4.007 3.628 4.261 0.011 11 0 "[ . 1 . 2]" 1
873 1 61 SER QB 1 65 LEU MD1 4.500 . 4.500 3.639 3.124 4.154 . 0 0 "[ . 1 . 2]" 1
874 1 62 MET H 1 62 MET HB2 3.700 . 3.700 3.590 3.569 3.609 . 0 0 "[ . 1 . 2]" 1
875 1 62 MET H 1 62 MET HG3 3.710 . 3.710 2.526 2.337 2.713 . 0 0 "[ . 1 . 2]" 1
876 1 62 MET H 1 63 LYS H 3.570 . 3.570 2.602 2.542 2.664 . 0 0 "[ . 1 . 2]" 1
877 1 62 MET HA 1 62 MET ME 4.880 . 4.880 4.531 4.387 4.658 . 0 0 "[ . 1 . 2]" 1
878 1 62 MET HA 1 62 MET HG2 3.950 . 3.950 3.728 3.690 3.783 . 0 0 "[ . 1 . 2]" 1
879 1 62 MET HA 1 62 MET HG3 3.810 . 3.810 3.648 3.633 3.675 . 0 0 "[ . 1 . 2]" 1
880 1 62 MET HA 1 64 TYR QB 5.500 . 5.500 4.954 4.803 5.137 . 0 0 "[ . 1 . 2]" 1
881 1 62 MET HA 1 65 LEU HB2 3.230 . 3.230 2.418 2.337 2.734 . 0 0 "[ . 1 . 2]" 1
882 1 62 MET HA 1 65 LEU HB3 4.390 . 4.390 4.037 3.914 4.362 . 0 0 "[ . 1 . 2]" 1
883 1 62 MET HA 1 65 LEU MD1 3.620 . 3.620 2.345 2.245 2.438 . 0 0 "[ . 1 . 2]" 1
884 1 62 MET HB2 1 65 LEU MD1 4.570 . 4.570 4.346 4.202 4.481 . 0 0 "[ . 1 . 2]" 1
885 1 62 MET ME 1 62 MET HG2 3.060 . 3.060 2.224 2.192 2.268 . 0 0 "[ . 1 . 2]" 1
886 1 62 MET ME 1 62 MET HG3 3.620 . 3.620 3.271 3.236 3.297 . 0 0 "[ . 1 . 2]" 1
887 1 62 MET HG2 1 65 LEU MD1 5.210 . 5.210 5.234 5.209 5.274 0.064 19 0 "[ . 1 . 2]" 1
888 1 62 MET HG3 1 65 LEU MD1 5.420 . 5.420 5.427 5.344 5.468 0.048 10 0 "[ . 1 . 2]" 1
889 1 63 LYS H 1 63 LYS QB 2.850 . 2.850 2.242 2.232 2.249 . 0 0 "[ . 1 . 2]" 1
890 1 63 LYS H 1 63 LYS QD 4.430 . 4.430 4.162 4.145 4.190 . 0 0 "[ . 1 . 2]" 1
891 1 63 LYS H 1 63 LYS HG3 5.300 . 5.300 4.402 4.386 4.415 . 0 0 "[ . 1 . 2]" 1
892 1 63 LYS H 1 64 TYR H 3.280 . 3.280 2.636 2.563 2.730 . 0 0 "[ . 1 . 2]" 1
893 1 63 LYS HA 1 63 LYS QB 2.640 . 2.640 2.330 2.318 2.336 . 0 0 "[ . 1 . 2]" 1
894 1 63 LYS HA 1 63 LYS QD 3.520 . 3.520 2.104 2.094 2.121 . 0 0 "[ . 1 . 2]" 1
895 1 63 LYS HA 1 63 LYS HG2 3.880 . 3.880 3.743 3.737 3.756 . 0 0 "[ . 1 . 2]" 1
896 1 63 LYS HA 1 63 LYS HG3 3.440 . 3.440 3.262 3.236 3.304 . 0 0 "[ . 1 . 2]" 1
897 1 63 LYS HA 1 66 ASP H 3.820 . 3.820 3.301 3.200 3.452 . 0 0 "[ . 1 . 2]" 1
898 1 63 LYS HA 1 66 ASP HB2 3.470 . 3.470 2.565 2.386 2.752 . 0 0 "[ . 1 . 2]" 1
899 1 63 LYS HA 1 67 GLN QG 5.340 . 5.340 4.932 4.743 5.166 . 0 0 "[ . 1 . 2]" 1
900 1 63 LYS QB 1 63 LYS QD 2.790 . 2.790 2.360 2.346 2.382 . 0 0 "[ . 1 . 2]" 1
901 1 63 LYS QB 1 63 LYS HG3 2.540 . 2.540 2.339 2.336 2.345 . 0 0 "[ . 1 . 2]" 1
902 1 63 LYS QB 1 64 TYR H 3.210 . 3.210 2.569 2.460 2.758 . 0 0 "[ . 1 . 2]" 1
903 1 63 LYS QB 1 64 TYR HA 4.400 . 4.400 4.227 4.206 4.270 . 0 0 "[ . 1 . 2]" 1
904 1 63 LYS QB 1 64 TYR QB 4.060 . 4.060 3.946 3.882 3.991 . 0 0 "[ . 1 . 2]" 1
905 1 63 LYS QB 1 66 ASP H 5.150 . 5.150 4.793 4.718 4.912 . 0 0 "[ . 1 . 2]" 1
906 1 63 LYS QB 1 66 ASP HB2 4.990 . 4.990 4.592 4.414 4.756 . 0 0 "[ . 1 . 2]" 1
907 1 63 LYS QD 1 63 LYS QE 2.400 . 2.400 2.040 2.021 2.106 . 0 0 "[ . 1 . 2]" 1
908 1 63 LYS QD 1 63 LYS HG2 2.550 . 2.550 2.461 2.430 2.467 . 0 0 "[ . 1 . 2]" 1
909 1 63 LYS QD 1 63 LYS HG3 2.690 . 2.690 2.282 2.278 2.306 . 0 0 "[ . 1 . 2]" 1
910 1 63 LYS QD 1 64 TYR HA 4.580 . 4.580 4.463 4.364 4.544 . 0 0 "[ . 1 . 2]" 1
911 1 63 LYS QD 1 66 ASP HB2 4.550 . 4.550 3.014 2.715 3.139 . 0 0 "[ . 1 . 2]" 1
912 1 63 LYS QD 1 66 ASP HB3 4.170 . 4.170 2.456 2.331 2.707 . 0 0 "[ . 1 . 2]" 1
913 1 63 LYS QD 1 67 GLN HG2 4.810 . 4.810 4.175 3.384 4.812 0.002 14 0 "[ . 1 . 2]" 1
914 1 63 LYS QD 1 67 GLN QG 4.180 . 4.180 3.631 3.305 3.987 . 0 0 "[ . 1 . 2]" 1
915 1 63 LYS QD 1 67 GLN HG3 4.810 . 4.810 4.274 3.642 4.830 0.020 11 0 "[ . 1 . 2]" 1
916 1 63 LYS QE 1 63 LYS HG2 3.650 . 3.650 2.600 2.244 2.741 . 0 0 "[ . 1 . 2]" 1
917 1 63 LYS QE 1 63 LYS HG3 2.860 . 2.860 2.648 2.590 2.995 0.135 15 0 "[ . 1 . 2]" 1
918 1 63 LYS QE 1 66 ASP HB2 4.710 . 4.710 4.711 4.551 4.785 0.075 15 0 "[ . 1 . 2]" 1
919 1 63 LYS QE 1 67 GLN HG2 4.930 . 4.930 4.217 3.951 4.685 . 0 0 "[ . 1 . 2]" 1
920 1 63 LYS QE 1 67 GLN QG 4.250 . 4.250 3.870 3.595 4.252 0.002 1 0 "[ . 1 . 2]" 1
921 1 63 LYS QE 1 67 GLN HG3 4.930 . 4.930 4.547 4.134 4.964 0.034 15 0 "[ . 1 . 2]" 1
922 1 63 LYS HG3 1 64 TYR HA 3.640 . 3.640 3.520 3.418 3.650 0.010 1 0 "[ . 1 . 2]" 1
923 1 63 LYS HG3 1 64 TYR QB 5.460 . 5.460 4.414 4.275 4.492 . 0 0 "[ . 1 . 2]" 1
924 1 63 LYS HG3 1 66 ASP HB2 5.210 . 5.210 4.960 4.670 5.135 . 0 0 "[ . 1 . 2]" 1
925 1 63 LYS HG3 1 67 GLN QG 4.630 . 4.630 3.876 3.625 4.221 . 0 0 "[ . 1 . 2]" 1
926 1 64 TYR H 1 64 TYR QB 2.860 . 2.860 2.042 2.028 2.080 . 0 0 "[ . 1 . 2]" 1
927 1 64 TYR H 1 65 LEU H 3.430 . 3.430 2.589 2.433 2.712 . 0 0 "[ . 1 . 2]" 1
928 1 64 TYR H 1 65 LEU HG 4.960 . 4.960 4.853 4.608 4.967 0.007 20 0 "[ . 1 . 2]" 1
929 1 64 TYR H 1 66 ASP H 4.260 . 4.260 3.861 3.786 3.982 . 0 0 "[ . 1 . 2]" 1
930 1 64 TYR HA 1 64 TYR QD 3.350 . 3.350 2.729 2.534 2.852 . 0 0 "[ . 1 . 2]" 1
931 1 64 TYR HA 1 65 LEU HA 5.500 . 5.500 4.746 4.727 4.787 . 0 0 "[ . 1 . 2]" 1
932 1 64 TYR HA 1 65 LEU HG 5.500 . 5.500 5.455 5.247 5.520 0.020 2 0 "[ . 1 . 2]" 1
933 1 64 TYR HA 1 66 ASP HB3 5.500 . 5.500 4.926 4.788 5.036 . 0 0 "[ . 1 . 2]" 1
934 1 64 TYR HA 1 67 GLN QB 4.410 . 4.410 3.883 3.545 4.238 . 0 0 "[ . 1 . 2]" 1
935 1 64 TYR HA 1 67 GLN QG 3.190 . 3.190 2.858 2.349 3.109 . 0 0 "[ . 1 . 2]" 1
936 1 64 TYR QB 1 65 LEU H 3.530 . 3.530 3.002 2.725 3.116 . 0 0 "[ . 1 . 2]" 1
937 1 64 TYR QB 1 65 LEU MD1 5.050 . 5.050 4.513 4.369 4.607 . 0 0 "[ . 1 . 2]" 1
938 1 64 TYR QB 1 65 LEU MD2 5.500 . 5.500 5.179 4.733 5.342 . 0 0 "[ . 1 . 2]" 1
939 1 64 TYR QB 1 65 LEU HG 4.610 . 4.610 4.072 3.613 4.260 . 0 0 "[ . 1 . 2]" 1
940 1 64 TYR QB 1 66 ASP H 4.970 . 4.970 4.677 4.529 4.763 . 0 0 "[ . 1 . 2]" 1
941 1 64 TYR QB 1 67 GLN QG 4.710 . 4.710 4.539 4.085 4.716 0.006 17 0 "[ . 1 . 2]" 1
942 1 64 TYR QD 1 65 LEU H 3.640 . 3.640 3.629 3.456 3.688 0.048 18 0 "[ . 1 . 2]" 1
943 1 64 TYR QD 1 65 LEU HA 4.030 . 4.030 4.001 3.981 4.018 . 0 0 "[ . 1 . 2]" 1
944 1 64 TYR QD 1 65 LEU MD1 3.690 . 3.690 3.730 3.702 3.761 0.071 17 0 "[ . 1 . 2]" 1
945 1 64 TYR QD 1 65 LEU HG 3.850 . 3.850 3.163 2.874 3.269 . 0 0 "[ . 1 . 2]" 1
946 1 64 TYR QE 1 65 LEU HA 4.180 . 4.180 4.225 4.186 4.259 0.079 7 0 "[ . 1 . 2]" 1
947 1 64 TYR QE 1 65 LEU HG 4.180 . 4.180 3.451 3.337 3.685 . 0 0 "[ . 1 . 2]" 1
948 1 64 TYR QE 1 68 LYS QD 4.000 . 4.000 2.635 2.300 4.019 0.019 18 0 "[ . 1 . 2]" 1
949 1 65 LEU H 1 65 LEU HB3 3.650 . 3.650 3.547 3.528 3.576 . 0 0 "[ . 1 . 2]" 1
950 1 65 LEU H 1 65 LEU MD2 4.120 . 4.120 4.022 3.777 4.088 . 0 0 "[ . 1 . 2]" 1
951 1 65 LEU H 1 66 ASP H 3.350 . 3.350 2.462 2.430 2.592 . 0 0 "[ . 1 . 2]" 1
952 1 65 LEU HA 1 65 LEU HB3 2.990 . 2.990 2.606 2.527 2.638 . 0 0 "[ . 1 . 2]" 1
953 1 65 LEU HA 1 65 LEU MD1 3.890 . 3.890 3.801 3.779 3.862 . 0 0 "[ . 1 . 2]" 1
954 1 65 LEU HA 1 65 LEU MD2 2.670 . 2.670 2.267 2.229 2.285 . 0 0 "[ . 1 . 2]" 1
955 1 65 LEU HA 1 65 LEU HG 4.050 . 4.050 2.504 2.446 2.646 . 0 0 "[ . 1 . 2]" 1
956 1 65 LEU HA 1 66 ASP HB2 5.500 . 5.500 5.614 5.605 5.623 0.123 14 0 "[ . 1 . 2]" 1
957 1 65 LEU HA 1 68 LYS QD 3.710 . 3.710 2.509 2.310 3.093 . 0 0 "[ . 1 . 2]" 1
958 1 65 LEU HA 1 68 LYS QE 4.250 . 4.250 4.187 3.906 4.280 0.030 4 0 "[ . 1 . 2]" 1
959 1 65 LEU HA 1 68 LYS QG 3.320 . 3.320 2.334 2.280 2.568 . 0 0 "[ . 1 . 2]" 1
960 1 65 LEU HA 1 70 PRO HD3 4.430 . 4.430 3.719 3.321 4.445 0.015 18 0 "[ . 1 . 2]" 1
961 1 65 LEU HB2 1 65 LEU MD1 3.350 . 3.350 2.227 2.153 2.256 . 0 0 "[ . 1 . 2]" 1
962 1 65 LEU HB2 1 65 LEU MD2 3.490 . 3.490 3.179 3.163 3.204 . 0 0 "[ . 1 . 2]" 1
963 1 65 LEU HB3 1 65 LEU MD1 3.440 . 3.440 2.630 2.600 2.714 . 0 0 "[ . 1 . 2]" 1
964 1 65 LEU HB3 1 65 LEU MD2 3.360 . 3.360 2.247 2.229 2.256 . 0 0 "[ . 1 . 2]" 1
965 1 65 LEU HB3 1 70 PRO QB 5.040 . 5.040 4.619 3.648 5.042 0.002 2 0 "[ . 1 . 2]" 1
966 1 65 LEU HB3 1 70 PRO HD2 4.720 . 4.720 3.691 2.900 4.783 0.063 18 0 "[ . 1 . 2]" 1
967 1 65 LEU HB3 1 70 PRO HD3 4.460 . 4.460 3.229 2.482 4.313 . 0 0 "[ . 1 . 2]" 1
968 1 65 LEU MD1 1 68 LYS QD 5.350 . 5.350 4.604 4.518 4.795 . 0 0 "[ . 1 . 2]" 1
969 1 65 LEU MD1 1 70 PRO QG 4.280 . 4.280 3.742 3.350 3.982 . 0 0 "[ . 1 . 2]" 1
970 1 65 LEU MD2 1 68 LYS QD 4.490 . 4.490 2.245 2.202 2.328 . 0 0 "[ . 1 . 2]" 1
971 1 65 LEU MD2 1 68 LYS QE 3.570 . 3.570 3.031 2.675 3.546 . 0 0 "[ . 1 . 2]" 1
972 1 65 LEU MD2 1 68 LYS QG 3.530 . 3.530 2.869 2.725 3.019 . 0 0 "[ . 1 . 2]" 1
973 1 65 LEU MD2 1 70 PRO QB 4.290 . 4.290 3.258 2.179 3.709 . 0 0 "[ . 1 . 2]" 1
974 1 65 LEU MD2 1 70 PRO HD3 4.520 . 4.520 3.086 2.604 3.947 . 0 0 "[ . 1 . 2]" 1
975 1 65 LEU MD2 1 70 PRO QG 4.040 . 4.040 2.131 1.988 2.558 . 0 0 "[ . 1 . 2]" 1
976 1 65 LEU HG 1 66 ASP H 4.900 . 4.900 4.680 4.508 4.761 . 0 0 "[ . 1 . 2]" 1
977 1 65 LEU HG 1 68 LYS QG 5.500 . 5.500 4.416 4.293 4.579 . 0 0 "[ . 1 . 2]" 1
978 1 66 ASP H 1 66 ASP HB2 3.620 . 3.620 2.321 2.285 2.357 . 0 0 "[ . 1 . 2]" 1
979 1 66 ASP H 1 66 ASP HB3 3.260 . 3.260 2.736 2.715 2.768 . 0 0 "[ . 1 . 2]" 1
980 1 66 ASP H 1 67 GLN H 3.480 . 3.480 2.557 2.469 2.654 . 0 0 "[ . 1 . 2]" 1
981 1 66 ASP H 1 67 GLN QE 4.790 . 4.790 4.785 4.730 4.865 0.075 18 0 "[ . 1 . 2]" 1
982 1 66 ASP H 1 67 GLN QG 4.160 . 4.160 3.760 3.389 3.889 . 0 0 "[ . 1 . 2]" 1
983 1 66 ASP HA 1 66 ASP HB2 3.020 . 3.020 2.587 2.578 2.607 . 0 0 "[ . 1 . 2]" 1
984 1 66 ASP HA 1 67 GLN HA 5.010 . 5.010 4.820 4.770 4.862 . 0 0 "[ . 1 . 2]" 1
985 1 66 ASP HA 1 67 GLN QG 5.070 . 5.070 4.973 4.763 5.069 . 0 0 "[ . 1 . 2]" 1
986 1 66 ASP HB2 1 67 GLN H 4.370 . 4.370 3.761 3.614 3.800 . 0 0 "[ . 1 . 2]" 1
987 1 66 ASP HB2 1 67 GLN QG 4.600 . 4.600 4.555 4.480 4.616 0.016 8 0 "[ . 1 . 2]" 1
988 1 66 ASP HB3 1 67 GLN H 4.190 . 4.190 2.749 2.507 2.802 . 0 0 "[ . 1 . 2]" 1
989 1 66 ASP HB3 1 67 GLN QG 4.530 . 4.530 3.234 3.126 3.298 . 0 0 "[ . 1 . 2]" 1
990 1 67 GLN H 1 67 GLN QB 3.050 . 3.050 2.531 2.433 2.744 . 0 0 "[ . 1 . 2]" 1
991 1 67 GLN H 1 67 GLN HG2 3.860 . 3.860 2.690 1.980 3.229 . 0 0 "[ . 1 . 2]" 1
992 1 67 GLN H 1 67 GLN QG 3.300 . 3.300 1.915 1.729 2.105 . 0 0 "[ . 1 . 2]" 1
993 1 67 GLN H 1 67 GLN HG3 3.860 . 3.860 2.425 1.776 3.516 . 0 0 "[ . 1 . 2]" 1
994 1 67 GLN HA 1 67 GLN QB 2.700 . 2.700 2.334 2.258 2.362 . 0 0 "[ . 1 . 2]" 1
995 1 67 GLN HA 1 67 GLN HG2 3.700 . 3.700 2.684 2.515 2.941 . 0 0 "[ . 1 . 2]" 1
996 1 67 GLN HA 1 67 GLN QG 2.940 . 2.940 2.580 2.414 2.836 . 0 0 "[ . 1 . 2]" 1
997 1 67 GLN HA 1 67 GLN HG3 3.700 . 3.700 3.350 3.066 3.734 0.034 12 0 "[ . 1 . 2]" 1
998 1 67 GLN QB 1 68 LYS H 3.980 . 3.980 2.430 2.246 3.397 . 0 0 "[ . 1 . 2]" 1
999 1 67 GLN QG 1 68 LYS QD 5.840 . 5.840 5.711 5.562 6.029 0.189 18 0 "[ . 1 . 2]" 1
1000 1 68 LYS HA 1 68 LYS HB2 2.830 . 2.830 2.479 2.464 2.505 . 0 0 "[ . 1 . 2]" 1
1001 1 68 LYS HA 1 68 LYS HB3 2.830 . 2.830 2.433 2.419 2.455 . 0 0 "[ . 1 . 2]" 1
1002 1 68 LYS HA 1 68 LYS QG 3.350 . 3.350 3.304 3.297 3.313 . 0 0 "[ . 1 . 2]" 1
1003 1 68 LYS QB 1 68 LYS QE 3.720 . 3.720 2.431 2.163 2.600 . 0 0 "[ . 1 . 2]" 1
1004 1 68 LYS QB 1 70 PRO HD3 4.840 . 4.840 4.164 3.762 4.347 . 0 0 "[ . 1 . 2]" 1
1005 1 68 LYS QD 1 68 LYS QG 2.400 . 2.400 2.037 2.019 2.048 . 0 0 "[ . 1 . 2]" 1
1006 1 68 LYS QD 1 70 PRO HD3 4.450 . 4.450 3.919 3.624 4.421 . 0 0 "[ . 1 . 2]" 1
1007 1 68 LYS QD 1 70 PRO QG 4.210 . 4.210 3.827 3.278 4.219 0.009 15 0 "[ . 1 . 2]" 1
1008 1 68 LYS QE 1 68 LYS QG 3.040 . 3.040 2.251 2.209 2.291 . 0 0 "[ . 1 . 2]" 1
1009 1 68 LYS QE 1 70 PRO QB 4.220 . 4.220 3.410 2.310 4.272 0.052 18 0 "[ . 1 . 2]" 1
1010 1 68 LYS QE 1 70 PRO QG 4.940 . 4.940 3.440 2.532 4.989 0.049 18 0 "[ . 1 . 2]" 1
1011 1 68 LYS QG 1 70 PRO HA 4.140 . 4.140 4.044 3.779 4.365 0.225 18 0 "[ . 1 . 2]" 1
1012 1 68 LYS QG 1 70 PRO QB 5.240 . 5.240 3.831 3.140 4.604 . 0 0 "[ . 1 . 2]" 1
1013 1 68 LYS QG 1 70 PRO HD3 4.700 . 4.700 2.295 2.278 2.312 . 0 0 "[ . 1 . 2]" 1
1014 1 68 LYS QG 1 70 PRO QG 4.310 . 4.310 3.185 2.682 3.536 . 0 0 "[ . 1 . 2]" 1
1015 1 69 SER HA 1 70 PRO HD2 2.770 . 2.770 2.340 2.289 2.454 . 0 0 "[ . 1 . 2]" 1
1016 1 69 SER HA 1 70 PRO HD3 3.100 . 3.100 2.501 2.371 2.591 . 0 0 "[ . 1 . 2]" 1
1017 1 69 SER HA 1 70 PRO QG 4.100 . 4.100 4.082 4.075 4.092 . 0 0 "[ . 1 . 2]" 1
1018 1 69 SER QB 1 70 PRO HA 5.360 . 5.360 4.786 4.520 5.216 . 0 0 "[ . 1 . 2]" 1
1019 1 70 PRO QG 1 71 THR MG 5.580 . 5.580 4.634 2.242 5.631 0.051 4 0 "[ . 1 . 2]" 1
1020 1 71 THR HA 1 71 THR MG 3.410 . 3.410 2.495 2.177 3.142 . 0 0 "[ . 1 . 2]" 1
1021 1 71 THR HA 1 72 PRO QD 3.530 . 3.530 2.388 2.130 3.531 0.001 14 0 "[ . 1 . 2]" 1
1022 1 71 THR MG 1 72 PRO HD2 4.440 . 4.440 3.866 3.004 4.478 0.038 14 0 "[ . 1 . 2]" 1
1023 1 73 LYS QB 1 73 LYS QE 4.150 . 4.150 3.338 2.115 3.829 . 0 0 "[ . 1 . 2]" 1
1024 1 73 LYS QD 1 73 LYS QG 2.400 . 2.400 2.089 2.013 2.111 . 0 0 "[ . 1 . 2]" 1
1025 2 4 PHE QB 2 5 GLY QA 5.200 . 5.200 4.139 3.880 4.394 . 0 0 "[ . 1 . 2]" 1
1026 2 5 GLY QA 2 6 THR MG 5.000 . 5.000 4.087 2.933 5.021 0.021 5 0 "[ . 1 . 2]" 1
1027 2 6 THR HA 2 6 THR MG 3.430 . 3.430 2.642 2.241 3.199 . 0 0 "[ . 1 . 2]" 1
1028 2 7 THR HA 2 7 THR MG 3.120 . 3.120 2.562 2.257 3.189 0.069 10 0 "[ . 1 . 2]" 1
1029 2 7 THR MG 2 8 SER QB 5.500 . 5.500 3.809 2.737 5.241 . 0 0 "[ . 1 . 2]" 1
1030 2 8 SER QB 2 9 TYS HB2 5.330 . 5.330 4.793 3.699 5.403 0.073 2 0 "[ . 1 . 2]" 1
1031 2 8 SER QB 2 11 ASP HA 4.950 . 4.950 3.966 3.359 4.428 . 0 0 "[ . 1 . 2]" 1
1032 2 8 SER QB 2 11 ASP QB 5.660 . 5.660 3.109 2.060 4.821 . 0 0 "[ . 1 . 2]" 1
1033 2 8 SER QB 2 13 VAL QG 6.030 . 6.030 6.033 5.729 6.146 0.116 13 0 "[ . 1 . 2]" 1
1034 2 10 TYS HB2 2 13 VAL HA 6.000 . 6.000 4.747 3.632 5.368 . 0 0 "[ . 1 . 2]" 1
1035 2 10 TYS HB2 2 13 VAL QG 4.550 . 4.550 4.227 3.392 4.623 0.073 16 0 "[ . 1 . 2]" 1
1036 2 10 TYS HB2 2 15 LEU QD 5.400 . 5.400 5.400 5.225 5.492 0.092 1 0 "[ . 1 . 2]" 1
1037 2 12 ASP HA 2 12 ASP QB 2.630 . 2.630 2.382 2.271 2.421 . 0 0 "[ . 1 . 2]" 1
1038 2 12 ASP HA 2 13 VAL H 3.480 . 3.480 3.175 2.177 3.521 0.041 19 0 "[ . 1 . 2]" 1
1039 2 12 ASP HA 2 13 VAL HB 4.820 . 4.820 4.614 4.359 4.839 0.019 17 0 "[ . 1 . 2]" 1
1040 2 12 ASP HA 2 15 LEU QB 5.380 . 5.380 5.167 4.739 5.458 0.078 17 0 "[ . 1 . 2]" 1
1041 2 12 ASP QB 2 13 VAL H 4.040 . 4.040 2.979 2.599 3.807 . 0 0 "[ . 1 . 2]" 1
1042 2 12 ASP QB 2 15 LEU QB 3.800 . 3.800 2.713 2.247 3.738 . 0 0 "[ . 1 . 2]" 1
1043 2 12 ASP QB 2 15 LEU QD 5.280 . 5.280 3.211 2.090 4.022 . 0 0 "[ . 1 . 2]" 1
1044 2 12 ASP HB2 2 13 VAL HA 5.090 . 5.090 4.854 4.614 5.157 0.067 17 0 "[ . 1 . 2]" 1
1045 2 12 ASP HB2 2 13 VAL QG 5.080 . 5.080 4.674 4.425 5.159 0.079 17 0 "[ . 1 . 2]" 1
1046 2 12 ASP HB2 2 15 LEU QB 4.460 . 4.460 2.808 2.332 4.002 . 0 0 "[ . 1 . 2]" 1
1047 2 12 ASP HB3 2 13 VAL HA 5.490 . 5.490 5.341 5.195 5.487 . 0 0 "[ . 1 . 2]" 1
1048 2 12 ASP HB3 2 13 VAL QG 4.880 . 4.880 4.718 4.599 5.036 0.156 17 0 "[ . 1 . 2]" 1
1049 2 12 ASP HB3 2 15 LEU QB 4.460 . 4.460 3.659 2.859 4.484 0.024 17 0 "[ . 1 . 2]" 1
1050 2 13 VAL H 2 13 VAL HB 3.780 . 3.780 3.470 2.717 3.747 . 0 0 "[ . 1 . 2]" 1
1051 2 13 VAL H 2 13 VAL QG 3.360 . 3.360 2.376 1.733 2.663 . 0 0 "[ . 1 . 2]" 1
1052 2 13 VAL HA 2 13 VAL QG 2.990 . 2.990 2.080 2.064 2.111 . 0 0 "[ . 1 . 2]" 1
1053 2 13 VAL HA 2 16 LEU QB 5.000 . 5.000 4.908 4.270 5.091 0.091 8 0 "[ . 1 . 2]" 1
1054 2 13 VAL QG 2 14 GLY QA 5.250 . 5.250 3.505 2.909 3.892 . 0 0 "[ . 1 . 2]" 1
1055 2 14 GLY QA 2 15 LEU QB 4.550 . 4.550 4.401 4.317 4.571 0.021 17 0 "[ . 1 . 2]" 1
1056 2 15 LEU H 2 15 LEU QB 3.640 . 3.640 2.210 2.107 2.259 . 0 0 "[ . 1 . 2]" 1
1057 2 15 LEU H 2 16 LEU H 4.370 . 4.370 3.148 2.492 4.449 0.079 17 0 "[ . 1 . 2]" 1
1058 2 15 LEU HA 2 15 LEU QD 3.340 . 3.340 2.287 2.048 3.120 . 0 0 "[ . 1 . 2]" 1
1059 2 15 LEU HA 2 16 LEU H 3.700 . 3.700 3.308 2.216 3.579 . 0 0 "[ . 1 . 2]" 1
1060 2 16 LEU H 2 16 LEU QB 3.110 . 3.110 2.393 2.135 3.147 0.037 2 0 "[ . 1 . 2]" 1
1061 2 16 LEU HA 2 16 LEU QD 3.320 . 3.320 2.385 1.980 3.397 0.077 11 0 "[ . 1 . 2]" 1
1062 2 16 LEU HA 2 16 LEU HG 3.800 . 3.800 3.312 2.339 3.716 . 0 0 "[ . 1 . 2]" 1
1063 2 16 LEU QB 2 16 LEU QD 2.890 . 2.890 1.963 1.898 2.021 . 0 0 "[ . 1 . 2]" 1
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