NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
387463 |
1mbk   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1mbk
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 536
_Distance_constraint_stats_list.Viol_count 902
_Distance_constraint_stats_list.Viol_total 3045.434
_Distance_constraint_stats_list.Viol_max 0.942
_Distance_constraint_stats_list.Viol_rms 0.0248
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0023
_Distance_constraint_stats_list.Viol_average_violations_only 0.0675
_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 4 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 5 SER 0.136 0.046 49 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 6 TRP 1.728 0.080 37 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 7 THR 0.230 0.051 8 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 8 GLU 0.209 0.200 35 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 9 GLU 0.398 0.078 27 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 10 GLU 0.109 0.039 38 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 11 ASP 0.208 0.200 35 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 12 ARG 0.337 0.078 27 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 13 ILE 0.593 0.030 50 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 14 ILE 3.866 0.711 26 1 "[ . 1 . 2 .+ 3 . 4 . 5]"
1 15 TYR 0.086 0.041 46 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 16 GLN 0.269 0.052 9 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 17 ALA 0.027 0.019 9 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 18 HIS 1.873 0.165 32 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 19 LYS 0.896 0.047 15 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 20 ARG 0.211 0.052 9 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 21 LEU 11.525 0.643 19 8 "[ * - 1 .* +2 * 3* * . * 4 . 5]"
1 22 GLY 3.791 0.272 36 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 23 ASN 13.423 0.330 26 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 24 ARG 0.369 0.320 9 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 25 TRP 24.471 0.393 34 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 26 ALA 12.298 0.393 34 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 27 GLU 0.108 0.027 5 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 28 ILE 20.236 0.942 45 11 "[ * * 1 - .* *2 * 3* * . * * + 5]"
1 29 ALA 0.505 0.040 24 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 30 LYS 0.298 0.039 4 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 31 LEU 9.178 0.942 45 4 "[ . 1 - . 2 . 3* . * + 5]"
1 32 LEU 0.231 0.036 4 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 33 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 34 GLY 0.005 0.005 21 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 35 ARG 0.465 0.209 24 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 36 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 37 ASP 1.722 0.202 13 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 38 ASN 0.148 0.051 25 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 39 ALA 0.067 0.047 1 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 40 ILE 0.206 0.040 6 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 41 LYS 1.347 0.214 18 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 42 ASN 0.062 0.047 1 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 43 HIS 4.656 0.711 26 1 "[ . 1 . 2 .+ 3 . 4 . 5]"
1 44 TRP 2.407 0.165 32 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 45 ASN 0.741 0.066 2 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 46 SER 0.019 0.007 11 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 47 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 48 MET 1.156 0.048 43 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 49 ARG 0.117 0.022 16 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 50 ARG 0.100 0.057 38 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 51 LYS 0.100 0.057 38 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 52 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
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 4 THR HA 1 5 SER H . . 5.000 2.780 2.162 3.628 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
2 1 5 SER HA 1 6 TRP H . . 3.000 2.512 2.139 3.046 0.046 49 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
3 1 5 SER HA 1 6 TRP HD1 . . 5.500 4.188 3.112 5.502 0.002 48 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
4 1 5 SER QB 1 6 TRP H . . 5.500 3.136 1.963 4.083 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
5 1 5 SER QB 1 6 TRP HD1 . . 6.500 4.316 2.401 5.792 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
6 1 6 TRP H 1 6 TRP HD1 . . 4.000 3.609 2.561 4.080 0.080 37 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
7 1 6 TRP HA 1 7 THR H . . 3.000 2.398 2.155 2.775 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
8 1 6 TRP HA 1 43 HIS HE1 . . 6.500 5.991 5.199 6.510 0.010 5 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
9 1 6 TRP HB2 1 7 THR H . . 4.500 3.930 3.338 4.551 0.051 8 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
10 1 6 TRP HB2 1 43 HIS HE1 . . 4.500 3.428 2.590 4.102 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
11 1 6 TRP HB3 1 7 THR H . . 4.500 2.735 1.900 4.169 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
12 1 6 TRP HB3 1 43 HIS HE1 . . 4.500 3.764 2.680 4.519 0.019 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
13 1 6 TRP HD1 1 43 HIS HE1 . . 4.500 4.170 3.389 4.542 0.042 35 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
14 1 6 TRP HE1 1 39 ALA MB . . 7.000 3.742 2.566 5.109 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
15 1 6 TRP HE1 1 40 ILE MG . . 7.000 5.813 5.502 5.849 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
16 1 6 TRP HE1 1 43 HIS HB2 . . 5.500 2.153 1.877 2.484 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
17 1 6 TRP HE1 1 43 HIS HB3 . . 4.500 3.304 2.781 3.779 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
18 1 6 TRP HE3 1 7 THR H . . 4.500 3.130 2.643 4.260 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
19 1 6 TRP HE3 1 10 GLU HA . . 5.500 4.757 4.416 5.347 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
20 1 6 TRP HE3 1 10 GLU HG2 . . 5.500 3.802 2.221 5.132 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
21 1 6 TRP HE3 1 10 GLU HG3 . . 5.500 4.085 2.781 4.758 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
22 1 6 TRP HE3 1 11 ASP H . . 5.500 4.140 3.521 4.817 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
23 1 6 TRP HE3 1 14 ILE MD . . 6.000 3.188 2.313 3.682 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
24 1 6 TRP HE3 1 32 LEU MD1 . . 8.000 5.147 4.423 6.247 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
25 1 6 TRP HE3 1 43 HIS HD2 . . 5.500 4.679 4.053 5.503 0.003 32 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
26 1 6 TRP HH2 1 13 ILE HB . . 7.000 6.992 6.382 7.030 0.030 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
27 1 6 TRP HH2 1 14 ILE MD . . 8.500 2.948 2.231 3.896 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
28 1 6 TRP HH2 1 32 LEU MD1 . . 9.500 3.307 2.411 4.475 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
29 1 6 TRP HH2 1 32 LEU MD2 . . 9.500 4.995 3.513 6.202 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
30 1 6 TRP HH2 1 35 ARG HB2 . . 7.000 3.475 2.698 5.620 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
31 1 6 TRP HH2 1 35 ARG HB3 . . 8.000 2.529 2.157 4.462 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
32 1 6 TRP HH2 1 35 ARG HD2 . . 8.000 2.809 2.254 4.088 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
33 1 6 TRP HH2 1 35 ARG HD3 . . 7.000 4.240 3.006 4.851 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
34 1 6 TRP HH2 1 35 ARG HE . . 4.500 3.735 2.198 4.434 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
35 1 6 TRP HH2 1 35 ARG HG2 . . 7.000 4.122 3.840 5.138 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
36 1 6 TRP HH2 1 35 ARG HG3 . . 7.000 2.623 2.198 4.705 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
37 1 6 TRP HH2 1 39 ALA MB . . 8.500 4.300 3.752 4.922 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
38 1 6 TRP HH2 1 40 ILE H . . 5.500 4.736 4.326 5.333 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
39 1 6 TRP HH2 1 40 ILE HA . . 7.000 3.709 3.329 4.262 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
40 1 6 TRP HH2 1 40 ILE HB . . 8.000 5.020 4.786 5.351 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
41 1 6 TRP HH2 1 40 ILE MD . . 9.500 3.323 2.782 3.878 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
42 1 6 TRP HH2 1 40 ILE HG12 . . 7.000 2.213 2.096 2.428 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
43 1 6 TRP HH2 1 40 ILE MG . . 9.500 3.727 2.908 4.115 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
44 1 6 TRP HH2 1 43 HIS HB3 . . 8.000 5.336 4.642 5.912 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
45 1 6 TRP HH2 1 43 HIS HD2 . . 5.500 4.685 3.739 5.506 0.006 6 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
46 1 6 TRP HZ2 1 43 HIS H . . 5.500 4.928 4.542 5.501 0.001 12 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
47 1 6 TRP HZ2 1 43 HIS HD2 . . 5.500 4.151 3.389 5.050 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
48 1 6 TRP HZ3 1 13 ILE HB . . 7.000 5.276 4.518 5.511 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
49 1 6 TRP HZ3 1 14 ILE MD . . 8.500 2.455 2.030 2.766 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
50 1 6 TRP HZ3 1 32 LEU MD1 . . 9.500 3.111 2.284 4.252 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
51 1 6 TRP HZ3 1 32 LEU MD2 . . 9.500 4.254 2.754 5.764 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
52 1 6 TRP HZ3 1 35 ARG HB2 . . 7.000 5.004 4.456 6.942 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
53 1 6 TRP HZ3 1 35 ARG HB3 . . 8.000 4.592 4.172 6.337 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
54 1 6 TRP HZ3 1 35 ARG HD2 . . 8.000 4.089 2.902 5.658 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
55 1 6 TRP HZ3 1 35 ARG HD3 . . 7.000 5.173 4.046 6.077 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
56 1 6 TRP HZ3 1 35 ARG HE . . 4.500 3.241 2.500 4.514 0.014 28 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
57 1 6 TRP HZ3 1 35 ARG HG2 . . 7.000 4.713 4.139 6.396 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
58 1 6 TRP HZ3 1 35 ARG HG3 . . 7.000 3.109 2.489 5.627 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
59 1 6 TRP HZ3 1 39 ALA MB . . 8.500 6.167 5.530 6.942 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
60 1 6 TRP HZ3 1 40 ILE HA . . 7.000 5.542 5.151 5.913 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
61 1 6 TRP HZ3 1 40 ILE HB . . 8.000 7.106 6.637 7.429 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
62 1 6 TRP HZ3 1 40 ILE MD . . 9.500 4.878 4.193 5.385 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
63 1 6 TRP HZ3 1 40 ILE HG12 . . 7.000 4.156 3.621 4.589 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
64 1 6 TRP HZ3 1 40 ILE MG . . 9.500 4.855 3.990 5.097 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
65 1 6 TRP HZ3 1 43 HIS HB3 . . 8.000 6.542 5.850 6.816 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
66 1 6 TRP HZ3 1 43 HIS HD2 . . 5.500 4.940 3.962 5.509 0.009 14 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
67 1 7 THR H 1 10 GLU H . . 5.000 3.689 3.228 4.123 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
68 1 7 THR H 1 10 GLU HG2 . . 5.500 4.713 3.582 5.527 0.027 25 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
69 1 7 THR H 1 10 GLU HG3 . . 5.500 4.129 2.530 5.505 0.005 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
70 1 7 THR H 1 11 ASP H . . 5.000 3.932 3.274 4.831 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
71 1 7 THR HA 1 8 GLU H . . 3.000 2.357 2.157 2.564 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
72 1 7 THR HA 1 9 GLU H . . 5.000 4.289 3.907 4.704 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
73 1 7 THR HB 1 8 GLU H . . 4.500 2.685 2.246 3.347 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
74 1 7 THR HB 1 9 GLU H . . 5.500 2.892 2.658 3.467 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
75 1 7 THR MG 1 8 GLU H . . 7.000 3.753 2.543 4.036 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
76 1 7 THR MG 1 9 GLU H . . 7.000 4.419 3.827 4.815 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
77 1 7 THR MG 1 10 GLU H . . 7.000 4.396 3.997 4.938 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
78 1 8 GLU H 1 9 GLU H . . 3.000 2.804 2.643 3.000 0.000 8 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
79 1 8 GLU H 1 10 GLU H . . 5.000 4.501 4.194 4.934 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
80 1 8 GLU HA 1 11 ASP H . . 4.000 3.468 3.027 3.758 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
81 1 8 GLU HA 1 11 ASP HB2 . . 5.500 2.483 2.125 3.225 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
82 1 8 GLU HA 1 11 ASP HB3 . . 4.500 3.978 3.170 4.700 0.200 35 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
83 1 9 GLU H 1 10 GLU H . . 3.000 2.807 2.529 3.039 0.039 38 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
84 1 9 GLU HA 1 10 GLU H . . 5.000 3.604 3.532 3.630 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
85 1 9 GLU HA 1 12 ARG H . . 4.000 3.695 3.351 4.078 0.078 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
86 1 9 GLU HB2 1 10 GLU H . . 4.500 3.640 2.976 3.985 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
87 1 9 GLU HB3 1 10 GLU H . . 4.500 2.514 2.168 3.241 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
88 1 10 GLU H 1 11 ASP H . . 3.000 2.691 2.244 2.914 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
89 1 10 GLU HA 1 11 ASP H . . 4.000 3.604 3.571 3.630 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
90 1 10 GLU HA 1 12 ARG H . . 5.000 4.314 3.947 4.604 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
91 1 10 GLU HA 1 13 ILE H . . 4.000 3.360 3.081 3.681 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
92 1 10 GLU HA 1 13 ILE HG12 . . 4.500 2.937 2.480 3.690 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
93 1 10 GLU HA 1 14 ILE H . . 5.000 4.353 3.772 5.010 0.010 15 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
94 1 10 GLU QB 1 11 ASP H . . 5.500 2.544 2.376 2.758 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
95 1 10 GLU QG 1 11 ASP H . . 5.500 4.114 3.707 4.559 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
96 1 11 ASP H 1 12 ARG H . . 3.000 2.819 2.674 2.947 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
97 1 11 ASP H 1 48 MET ME . . 8.000 5.505 4.553 6.665 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
98 1 11 ASP HA 1 12 ARG H . . 4.000 3.598 3.560 3.628 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
99 1 11 ASP HA 1 14 ILE H . . 4.000 3.510 3.097 3.905 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
100 1 11 ASP HA 1 14 ILE HB . . 4.500 2.939 2.606 3.435 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
101 1 11 ASP HA 1 14 ILE MD . . 6.000 2.447 2.090 2.832 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
102 1 11 ASP HA 1 15 TYR H . . 5.000 4.002 3.771 4.355 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
103 1 11 ASP HA 1 43 HIS HD2 . . 5.500 4.860 4.461 5.379 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
104 1 11 ASP HA 1 48 MET ME . . 6.000 3.422 2.384 4.960 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
105 1 11 ASP HB2 1 12 ARG H . . 4.500 2.783 2.536 3.353 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
106 1 11 ASP HB2 1 48 MET ME . . 6.000 4.549 3.837 5.404 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
107 1 11 ASP HB3 1 12 ARG H . . 4.000 3.494 2.778 3.851 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
108 1 12 ARG H 1 13 ILE HA . . 6.000 5.348 5.262 5.419 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
109 1 12 ARG H 1 13 ILE HG12 . . 6.500 4.255 3.987 4.610 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
110 1 12 ARG H 1 13 ILE MG . . 8.000 5.972 5.872 6.049 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
111 1 12 ARG H 1 15 TYR QD . . 8.500 6.337 5.362 6.856 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
112 1 12 ARG HA 1 13 ILE H . . 5.000 3.599 3.567 3.620 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
113 1 12 ARG HA 1 14 ILE H . . 5.000 4.652 4.333 4.813 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
114 1 12 ARG HA 1 15 TYR H . . 5.000 3.467 3.198 3.710 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
115 1 12 ARG HA 1 15 TYR HB2 . . 5.500 3.338 2.340 3.966 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
116 1 12 ARG HA 1 15 TYR QD . . 6.500 3.934 2.974 4.648 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
117 1 12 ARG HA 1 16 GLN H . . 5.000 3.908 3.699 4.591 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
118 1 12 ARG QB 1 13 ILE H . . 5.000 2.779 2.478 3.615 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
119 1 12 ARG QG 1 13 ILE H . . 6.500 3.819 2.061 4.616 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
120 1 13 ILE H 1 14 ILE H . . 3.000 2.739 2.576 2.853 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
121 1 13 ILE H 1 15 TYR H . . 5.000 4.079 3.835 4.250 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
122 1 13 ILE HA 1 14 ILE H . . 4.000 3.609 3.587 3.623 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
123 1 13 ILE HA 1 16 GLN H . . 4.000 3.658 3.392 3.907 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
124 1 13 ILE HA 1 17 ALA H . . 5.000 4.000 3.673 4.391 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
125 1 13 ILE HB 1 14 ILE H . . 4.500 2.452 2.328 2.652 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
126 1 13 ILE MG 1 14 ILE H . . 6.000 3.364 3.089 3.668 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
127 1 14 ILE H 1 15 TYR H . . 3.000 2.707 2.602 2.810 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
128 1 14 ILE H 1 15 TYR HB2 . . 5.500 5.019 4.441 5.320 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
129 1 14 ILE H 1 15 TYR HB3 . . 5.500 4.899 4.621 5.324 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
130 1 14 ILE H 1 48 MET ME . . 7.000 4.959 4.099 5.833 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
131 1 14 ILE HA 1 15 TYR H . . 4.000 3.598 3.565 3.612 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
132 1 14 ILE HA 1 16 GLN H . . 5.000 4.671 3.891 4.894 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
133 1 14 ILE HA 1 17 ALA H . . 4.000 3.664 3.196 3.885 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
134 1 14 ILE HA 1 17 ALA MB . . 6.000 2.736 2.394 3.059 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
135 1 14 ILE HA 1 18 HIS H . . 4.000 3.713 3.296 4.034 0.034 15 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
136 1 14 ILE HB 1 15 TYR H . . 4.000 2.630 2.437 2.877 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
137 1 14 ILE HB 1 43 HIS HD2 . . 5.500 4.819 4.456 5.224 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
138 1 14 ILE MD 1 15 TYR H . . 6.000 4.343 3.736 4.569 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
139 1 14 ILE MD 1 44 TRP H . . 7.000 4.846 4.511 5.387 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
140 1 14 ILE HG12 1 15 TYR H . . 5.500 5.086 4.788 5.268 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
141 1 14 ILE HG13 1 43 HIS HD2 . . 5.500 5.350 4.819 6.211 0.711 26 1 "[ . 1 . 2 .+ 3 . 4 . 5]" 1
142 1 14 ILE MG 1 15 TYR H . . 6.000 3.509 3.243 3.824 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
143 1 14 ILE MG 1 18 HIS H . . 6.000 3.791 3.277 3.973 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
144 1 14 ILE MG 1 25 TRP HH2 . . 6.000 4.372 3.942 4.979 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
145 1 14 ILE MG 1 25 TRP HZ3 . . 6.000 2.720 2.432 3.286 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
146 1 14 ILE MG 1 44 TRP H . . 7.000 4.790 4.518 5.092 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
147 1 14 ILE MG 1 44 TRP HD1 . . 7.000 5.835 5.546 5.870 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
148 1 14 ILE MG 1 44 TRP HE3 . . 5.500 2.094 1.874 2.313 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
149 1 14 ILE MG 1 44 TRP HH2 . . 8.500 4.269 4.011 4.520 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
150 1 14 ILE MG 1 44 TRP HZ2 . . 7.000 5.375 5.141 5.585 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
151 1 14 ILE MG 1 44 TRP HZ3 . . 8.500 2.417 2.258 2.693 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
152 1 15 TYR H 1 16 GLN H . . 3.000 2.820 2.670 2.927 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
153 1 15 TYR H 1 44 TRP HH2 . . 5.500 5.118 4.710 5.508 0.008 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
154 1 15 TYR H 1 48 MET ME . . 6.000 3.670 2.792 4.317 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
155 1 15 TYR HA 1 16 GLN H . . 4.000 3.608 3.544 3.627 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
156 1 15 TYR HA 1 18 HIS H . . 4.000 3.715 3.385 4.041 0.041 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
157 1 15 TYR HA 1 18 HIS HB2 . . 5.500 3.846 2.772 4.370 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
158 1 15 TYR HA 1 18 HIS HB3 . . 4.500 2.805 2.372 3.252 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
159 1 15 TYR HA 1 19 LYS H . . 5.000 3.978 3.580 5.013 0.013 15 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
160 1 15 TYR HA 1 44 TRP HE3 . . 6.500 4.582 4.374 4.694 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
161 1 15 TYR HA 1 44 TRP HH2 . . 6.500 2.547 2.180 2.920 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
162 1 15 TYR HA 1 44 TRP HZ3 . . 6.500 2.186 2.067 2.299 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
163 1 15 TYR HB2 1 16 GLN H . . 4.500 3.788 3.340 4.007 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
164 1 15 TYR HB2 1 44 TRP HH2 . . 8.000 4.087 3.361 5.236 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
165 1 15 TYR HB2 1 44 TRP HZ3 . . 8.000 3.235 2.730 4.138 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
166 1 15 TYR HB3 1 16 GLN H . . 4.000 2.446 2.262 2.902 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
167 1 15 TYR HB3 1 17 ALA H . . 5.500 5.057 4.849 5.411 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
168 1 15 TYR HB3 1 44 TRP HH2 . . 8.000 5.149 4.690 5.786 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
169 1 15 TYR HB3 1 44 TRP HZ3 . . 8.000 4.492 4.126 4.994 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
170 1 15 TYR QD 1 16 GLN H . . 6.500 3.423 2.885 4.201 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
171 1 15 TYR QD 1 16 GLN HA . . 7.500 3.528 2.886 4.240 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
172 1 15 TYR QD 1 16 GLN QB . . 8.500 3.866 3.302 4.981 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
173 1 15 TYR QD 1 16 GLN HG2 . . 7.500 5.914 3.061 6.690 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
174 1 15 TYR QD 1 16 GLN HG3 . . 7.500 5.406 3.149 6.437 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
175 1 15 TYR QD 1 44 TRP HZ2 . . 7.500 4.580 4.010 5.840 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
176 1 15 TYR QD 1 48 MET ME . . 8.000 3.330 2.227 4.391 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
177 1 15 TYR QD 1 52 VAL QG . . 10.900 5.420 3.359 7.206 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
178 1 15 TYR QE 1 16 GLN H . . 7.500 5.519 4.929 6.252 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
179 1 15 TYR QE 1 19 LYS QD . . 7.500 3.376 2.475 5.923 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
180 1 15 TYR QE 1 19 LYS QE . . 8.500 3.507 2.272 5.208 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
181 1 15 TYR QE 1 48 MET ME . . 8.000 4.914 3.563 5.939 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
182 1 15 TYR QE 1 52 VAL QG . . 9.900 4.117 2.380 6.305 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
183 1 16 GLN H 1 17 ALA H . . 3.000 2.797 2.458 2.953 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
184 1 16 GLN H 1 17 ALA MB . . 7.000 4.416 4.084 4.579 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
185 1 16 GLN H 1 18 HIS H . . 5.000 4.209 3.840 4.518 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
186 1 16 GLN H 1 19 LYS H . . 5.000 4.781 4.544 5.047 0.047 15 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
187 1 16 GLN HA 1 17 ALA H . . 4.000 3.610 3.550 3.621 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
188 1 16 GLN HA 1 18 HIS H . . 5.000 4.626 4.092 5.004 0.004 6 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
189 1 16 GLN HA 1 19 LYS H . . 5.000 3.722 3.387 4.127 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
190 1 16 GLN HA 1 20 ARG H . . 5.000 4.662 4.172 5.052 0.052 9 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
191 1 16 GLN HB2 1 17 ALA H . . 4.000 3.740 3.043 3.971 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
192 1 16 GLN HB3 1 17 ALA H . . 4.500 2.448 2.289 2.874 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
193 1 17 ALA H 1 18 HIS H . . 3.000 2.722 2.475 2.843 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
194 1 17 ALA H 1 19 LYS H . . 5.000 4.222 3.989 4.596 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
195 1 17 ALA HA 1 18 HIS H . . 4.000 3.593 3.545 3.620 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
196 1 17 ALA HA 1 19 LYS H . . 5.000 4.473 3.738 4.983 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
197 1 17 ALA HA 1 20 ARG H . . 4.000 3.583 3.306 3.862 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
198 1 17 ALA HA 1 20 ARG QB . . 5.500 3.002 2.502 4.759 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
199 1 17 ALA HA 1 21 LEU H . . 5.000 3.966 3.475 5.019 0.019 9 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
200 1 17 ALA MB 1 18 HIS H . . 5.500 2.509 2.242 2.798 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
201 1 18 HIS H 1 19 LYS H . . 3.000 2.705 2.544 2.900 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
202 1 18 HIS H 1 19 LYS QB . . 6.500 4.505 4.289 5.023 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
203 1 18 HIS H 1 20 ARG H . . 5.000 4.087 3.791 4.701 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
204 1 18 HIS H 1 28 ILE MD . . 6.000 3.476 2.925 4.045 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
205 1 18 HIS H 1 28 ILE MG . . 7.000 4.417 3.679 5.707 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
206 1 18 HIS HA 1 19 LYS H . . 4.000 3.592 3.499 3.640 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
207 1 18 HIS HA 1 20 ARG H . . 5.000 4.088 3.637 4.728 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
208 1 18 HIS HA 1 21 LEU H . . 4.000 3.477 3.111 3.935 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
209 1 18 HIS HA 1 22 GLY H . . 3.000 2.379 1.941 3.013 0.013 3 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
210 1 18 HIS HA 1 28 ILE MD . . 6.000 2.603 2.148 3.679 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
211 1 18 HIS QB 1 25 TRP HZ3 . . 6.500 3.525 3.196 4.473 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
212 1 18 HIS HB2 1 19 LYS H . . 4.500 3.942 3.833 4.062 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
213 1 18 HIS HB2 1 44 TRP HE1 . . 6.500 6.414 5.933 6.665 0.165 32 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
214 1 18 HIS HB2 1 44 TRP HH2 . . 8.000 4.115 3.542 4.728 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
215 1 18 HIS HB2 1 44 TRP HZ3 . . 8.000 3.788 3.126 4.347 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
216 1 18 HIS HB3 1 19 LYS H . . 4.500 2.671 2.411 3.284 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
217 1 18 HIS HB3 1 28 ILE MD . . 6.000 4.287 3.760 5.472 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
218 1 18 HIS HB3 1 44 TRP HH2 . . 8.000 2.954 2.509 3.418 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
219 1 18 HIS HB3 1 44 TRP HZ3 . . 8.000 3.475 2.823 4.261 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
220 1 18 HIS HD2 1 22 GLY HA2 . . 5.500 4.493 4.175 4.668 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
221 1 18 HIS HD2 1 22 GLY HA3 . . 5.500 5.468 5.242 5.521 0.021 36 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
222 1 18 HIS HD2 1 23 ASN HA . . 4.500 2.652 2.370 3.417 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
223 1 18 HIS HD2 1 25 TRP HA . . 6.500 6.005 5.294 6.506 0.006 15 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
224 1 18 HIS HD2 1 25 TRP HE3 . . 5.500 4.250 3.665 4.642 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
225 1 18 HIS HD2 1 25 TRP HH2 . . 4.500 2.745 2.335 3.234 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
226 1 18 HIS HD2 1 25 TRP HZ2 . . 5.500 4.242 3.845 4.857 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
227 1 18 HIS HD2 1 25 TRP HZ3 . . 4.500 2.760 2.320 3.119 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
228 1 18 HIS HD2 1 28 ILE MD . . 6.000 3.425 2.796 3.936 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
229 1 18 HIS HD2 1 28 ILE MG . . 7.000 5.508 4.789 5.833 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
230 1 18 HIS HD2 1 44 TRP HE1 . . 5.500 4.958 4.279 5.465 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
231 1 18 HIS HD2 1 44 TRP HZ2 . . 5.500 4.821 4.185 5.484 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
232 1 18 HIS HE1 1 22 GLY HA2 . . 5.500 3.877 3.060 4.186 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
233 1 18 HIS HE1 1 23 ASN HA . . 5.500 5.280 4.715 5.508 0.008 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
234 1 18 HIS HE1 1 25 TRP HH2 . . 5.500 5.316 4.441 5.524 0.024 9 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
235 1 18 HIS HE1 1 44 TRP HE1 . . 5.500 4.168 3.322 4.839 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
236 1 18 HIS HE1 1 44 TRP HH2 . . 6.500 4.917 4.507 5.732 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
237 1 18 HIS HE1 1 44 TRP HZ2 . . 4.000 3.360 2.975 4.003 0.003 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
238 1 19 LYS H 1 20 ARG H . . 3.000 2.659 2.492 2.839 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
239 1 19 LYS H 1 21 LEU H . . 5.000 4.338 3.964 4.605 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
240 1 19 LYS HA 1 20 ARG H . . 4.000 3.534 3.371 3.608 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
241 1 19 LYS HA 1 21 LEU H . . 5.000 4.872 4.015 5.036 0.036 37 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
242 1 19 LYS HA 1 22 GLY H . . 5.000 4.854 4.134 5.045 0.045 36 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
243 1 20 ARG H 1 21 LEU H . . 3.000 2.436 2.110 2.696 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
244 1 20 ARG H 1 22 GLY H . . 5.000 4.055 3.140 4.662 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
245 1 20 ARG QB 1 21 LEU H . . 5.000 2.553 2.330 4.041 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
246 1 21 LEU H 1 22 GLY H . . 3.000 2.452 2.095 2.771 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
247 1 21 LEU H 1 22 GLY HA2 . . 6.000 4.578 3.984 4.794 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
248 1 21 LEU H 1 22 GLY HA3 . . 6.000 5.039 4.540 5.243 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
249 1 21 LEU H 1 28 ILE MD . . 7.000 4.606 3.697 5.313 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
250 1 21 LEU HA 1 22 GLY H . . 4.000 3.594 3.420 3.626 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
251 1 21 LEU HB2 1 22 GLY H . . 5.500 2.397 2.014 3.450 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
252 1 21 LEU HB2 1 24 ARG QD . . 5.500 4.021 2.993 5.820 0.320 9 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
253 1 21 LEU HB3 1 22 GLY H . . 4.500 3.468 3.066 4.269 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
254 1 21 LEU HB3 1 28 ILE H . . 5.500 5.628 4.708 6.143 0.643 19 8 "[ * - 1 .* +2 * 3* * . * 4 . 5]" 1
255 1 21 LEU MD1 1 27 GLU QB . . 7.000 2.481 2.091 3.863 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
256 1 21 LEU MD1 1 28 ILE H . . 6.500 3.749 3.331 4.484 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
257 1 21 LEU MD2 1 22 GLY H . . 7.000 4.609 4.513 4.889 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
258 1 21 LEU MD2 1 24 ARG QD . . 7.000 3.338 2.278 5.195 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
259 1 21 LEU MD2 1 27 GLU QG . . 8.000 3.990 2.454 5.662 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
260 1 22 GLY H 1 28 ILE MD . . 7.000 3.677 2.659 5.158 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
261 1 22 GLY HA2 1 23 ASN H . . 3.000 3.057 2.943 3.272 0.272 36 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
262 1 22 GLY HA3 1 23 ASN H . . 4.000 2.284 2.198 2.351 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
263 1 23 ASN H 1 24 ARG H . . 5.000 3.118 2.955 3.333 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
264 1 23 ASN HA 1 24 ARG H . . 4.000 2.942 2.809 3.049 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
265 1 23 ASN HA 1 25 TRP HE1 . . 5.500 4.334 4.016 4.604 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
266 1 23 ASN HA 1 25 TRP HZ2 . . 5.500 3.514 3.323 3.656 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
267 1 23 ASN QB 1 24 ARG H . . 6.500 3.870 3.815 3.932 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
268 1 23 ASN HB2 1 25 TRP HD1 . . 5.500 5.522 5.372 5.555 0.055 35 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
269 1 23 ASN HB2 1 25 TRP HE1 . . 4.000 4.184 4.045 4.330 0.330 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
270 1 23 ASN HB2 1 25 TRP HZ2 . . 5.500 4.461 4.207 5.110 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
271 1 23 ASN HB3 1 25 TRP HD1 . . 5.500 4.484 4.161 4.778 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
272 1 23 ASN HB3 1 25 TRP HE1 . . 4.500 2.718 2.533 3.001 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
273 1 23 ASN HB3 1 25 TRP HZ2 . . 5.500 2.782 2.486 3.475 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
274 1 23 ASN QD 1 25 TRP HE1 . . 7.500 5.137 3.642 5.914 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
275 1 24 ARG H 1 28 ILE MD . . 7.000 3.177 2.464 4.264 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
276 1 24 ARG HA 1 25 TRP H . . 3.000 2.527 2.438 2.620 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
277 1 24 ARG HA 1 25 TRP HD1 . . 5.500 4.895 4.455 5.267 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
278 1 24 ARG HB2 1 25 TRP H . . 5.500 4.532 4.432 4.675 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
279 1 24 ARG HB3 1 25 TRP H . . 5.500 4.373 4.296 4.431 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
280 1 24 ARG QD 1 27 GLU QB . . 7.500 4.196 2.669 5.852 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
281 1 25 TRP H 1 25 TRP HD1 . . 4.000 2.913 2.588 3.195 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
282 1 25 TRP H 1 26 ALA H . . 4.000 2.675 2.582 2.778 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
283 1 25 TRP H 1 28 ILE H . . 5.000 4.842 4.629 5.040 0.040 32 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
284 1 25 TRP HA 1 28 ILE H . . 4.000 3.082 2.798 3.444 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
285 1 25 TRP HA 1 28 ILE HB . . 4.500 2.219 2.032 2.532 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
286 1 25 TRP HA 1 28 ILE MD . . 6.000 2.543 2.156 3.305 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
287 1 25 TRP HA 1 29 ALA H . . 5.000 3.075 2.685 3.444 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
288 1 25 TRP HB2 1 26 ALA H . . 5.500 3.052 2.625 3.327 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
289 1 25 TRP HB2 1 37 ASP H . . 5.500 5.334 4.960 5.702 0.202 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
290 1 25 TRP HB3 1 26 ALA H . . 4.000 4.226 3.948 4.393 0.393 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
291 1 25 TRP HB3 1 37 ASP H . . 6.500 5.245 4.861 5.513 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
292 1 25 TRP HB3 1 37 ASP QB . . 5.500 3.176 2.385 4.412 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
293 1 25 TRP HB3 1 41 LYS H . . 5.500 3.893 3.586 4.197 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
294 1 25 TRP HD1 1 28 ILE MD . . 7.000 5.785 5.383 6.467 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
295 1 25 TRP HD1 1 29 ALA MB . . 7.000 5.870 5.842 5.894 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
296 1 25 TRP HD1 1 41 LYS HB2 . . 4.500 3.275 2.751 3.836 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
297 1 25 TRP HD1 1 41 LYS QD . . 6.500 2.871 2.454 4.364 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
298 1 25 TRP HD1 1 41 LYS HG2 . . 5.500 5.426 5.032 5.533 0.033 16 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
299 1 25 TRP HD1 1 41 LYS HG3 . . 5.500 4.209 3.585 4.602 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
300 1 25 TRP HE1 1 41 LYS HA . . 5.500 4.071 3.482 4.592 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
301 1 25 TRP HE1 1 41 LYS HB2 . . 5.500 3.519 3.013 4.251 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
302 1 25 TRP HE1 1 41 LYS HB3 . . 5.500 4.906 4.468 5.510 0.010 25 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
303 1 25 TRP HE1 1 41 LYS HD2 . . 4.500 3.113 2.348 4.128 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
304 1 25 TRP HE1 1 41 LYS HD3 . . 4.500 3.501 2.167 4.510 0.010 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
305 1 25 TRP HE1 1 41 LYS HG2 . . 4.500 4.311 3.861 4.714 0.214 18 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
306 1 25 TRP HE1 1 41 LYS HG3 . . 5.500 2.689 2.221 3.201 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
307 1 25 TRP HE3 1 28 ILE H . . 6.500 5.365 5.009 5.735 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
308 1 25 TRP HE3 1 28 ILE HB . . 4.500 3.397 2.899 3.841 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
309 1 25 TRP HE3 1 28 ILE MD . . 5.500 2.520 2.140 3.369 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
310 1 25 TRP HE3 1 29 ALA H . . 5.500 5.173 4.342 5.540 0.040 24 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
311 1 25 TRP HE3 1 40 ILE HB . . 5.500 3.547 2.997 3.971 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
312 1 25 TRP HE3 1 40 ILE MG . . 5.500 2.250 2.082 2.621 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
313 1 25 TRP HE3 1 41 LYS H . . 5.500 4.711 4.301 5.070 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
314 1 25 TRP HE3 1 41 LYS HA . . 4.500 4.259 3.666 4.518 0.018 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
315 1 25 TRP HE3 1 41 LYS HB2 . . 5.500 4.869 4.385 5.479 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
316 1 25 TRP HH2 1 28 ILE MD . . 7.000 4.906 4.437 5.310 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
317 1 25 TRP HH2 1 40 ILE MG . . 7.000 4.352 3.982 4.955 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
318 1 25 TRP HH2 1 41 LYS HA . . 5.500 4.075 3.756 4.740 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
319 1 25 TRP HH2 1 44 TRP H . . 5.500 5.309 4.806 5.528 0.028 9 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
320 1 25 TRP HH2 1 44 TRP HB2 . . 4.500 3.486 3.112 3.814 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
321 1 25 TRP HH2 1 44 TRP HB3 . . 4.500 3.004 2.611 3.312 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
322 1 25 TRP HH2 1 44 TRP HD1 . . 4.500 3.106 2.595 3.421 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
323 1 25 TRP HH2 1 44 TRP HE1 . . 4.500 3.765 3.435 4.205 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
324 1 25 TRP HH2 1 44 TRP HE3 . . 5.500 4.397 3.966 5.020 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
325 1 25 TRP HH2 1 44 TRP HZ2 . . 5.500 5.030 4.602 5.509 0.009 6 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
326 1 25 TRP HH2 1 45 ASN H . . 5.500 5.028 4.561 5.507 0.007 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
327 1 25 TRP HZ3 1 28 ILE MD . . 6.000 3.306 2.825 3.911 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
328 1 25 TRP HZ3 1 40 ILE MG . . 6.000 2.759 2.384 3.144 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
329 1 25 TRP HZ3 1 41 LYS HA . . 5.500 4.360 3.758 5.039 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
330 1 25 TRP HZ3 1 44 TRP H . . 5.500 5.312 4.823 5.513 0.013 35 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
331 1 25 TRP HZ3 1 44 TRP HB2 . . 5.500 3.315 2.778 3.544 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
332 1 25 TRP HZ3 1 44 TRP HB3 . . 4.500 3.868 3.233 4.283 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
333 1 25 TRP HZ3 1 44 TRP HD1 . . 5.500 5.152 4.419 5.509 0.009 12 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
334 1 25 TRP HZ3 1 44 TRP HE1 . . 6.500 5.730 5.185 6.167 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
335 1 25 TRP HZ3 1 44 TRP HE3 . . 5.500 3.647 3.085 4.169 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
336 1 26 ALA H 1 27 GLU H . . 3.000 2.740 2.650 2.968 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
337 1 26 ALA H 1 28 ILE H . . 5.000 4.301 4.121 4.685 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
338 1 26 ALA H 1 37 ASP QB . . 5.500 4.219 3.530 4.908 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
339 1 26 ALA HA 1 27 GLU H . . 4.000 3.553 3.424 3.638 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
340 1 26 ALA HA 1 29 ALA H . . 5.000 4.232 3.813 4.632 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
341 1 26 ALA HA 1 30 LYS H . . 5.000 4.689 4.017 5.039 0.039 4 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
342 1 26 ALA HA 1 37 ASP H . . 5.500 5.461 4.610 5.544 0.044 36 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
343 1 26 ALA MB 1 27 GLU H . . 5.500 2.733 2.349 3.174 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
344 1 27 GLU H 1 28 ILE H . . 3.000 2.357 2.112 2.691 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
345 1 27 GLU H 1 29 ALA H . . 4.000 3.791 3.387 4.027 0.027 5 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
346 1 27 GLU HA 1 28 ILE H . . 4.000 3.613 3.591 3.630 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
347 1 27 GLU HA 1 30 LYS H . . 4.000 3.447 3.133 3.919 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
348 1 27 GLU QB 1 28 ILE H . . 5.500 2.476 2.148 3.455 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
349 1 27 GLU QG 1 28 ILE H . . 6.500 3.909 2.176 4.566 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
350 1 28 ILE H 1 29 ALA H . . 3.000 2.754 2.655 2.906 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
351 1 28 ILE H 1 30 LYS H . . 5.000 4.141 3.830 4.353 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
352 1 28 ILE HA 1 29 ALA H . . 4.000 3.582 3.550 3.615 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
353 1 28 ILE HA 1 30 LYS H . . 5.000 4.229 3.948 4.649 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
354 1 28 ILE HA 1 31 LEU H . . 4.000 3.451 3.239 3.752 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
355 1 28 ILE HA 1 31 LEU HB3 . . 4.500 4.606 4.147 5.442 0.942 45 4 "[ . 1 - . 2 . 3* . * + 5]" 1
356 1 28 ILE HB 1 29 ALA H . . 4.000 2.565 2.303 2.720 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
357 1 28 ILE MD 1 29 ALA H . . 7.000 4.320 3.949 4.651 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
358 1 28 ILE MG 1 30 LYS H . . 7.000 4.938 4.669 5.280 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
359 1 29 ALA H 1 30 LYS H . . 3.000 2.725 2.584 2.824 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
360 1 29 ALA H 1 32 LEU HB2 . . 5.500 5.342 4.832 5.515 0.015 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
361 1 29 ALA HA 1 30 LYS H . . 4.000 3.579 3.474 3.619 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
362 1 29 ALA HA 1 31 LEU H . . 5.000 4.266 3.875 4.539 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
363 1 29 ALA HA 1 32 LEU H . . 4.000 3.304 3.102 4.007 0.007 36 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
364 1 29 ALA HA 1 32 LEU HB2 . . 5.500 2.963 2.430 3.542 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
365 1 29 ALA MB 1 30 LYS H . . 5.500 2.732 2.503 3.059 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
366 1 29 ALA MB 1 37 ASP H . . 6.000 2.763 2.172 3.352 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
367 1 30 LYS H 1 31 LEU H . . 3.000 2.599 2.372 2.731 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
368 1 30 LYS H 1 31 LEU MD2 . . 7.000 5.298 4.735 5.830 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
369 1 30 LYS H 1 32 LEU H . . 5.000 3.967 3.808 4.210 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
370 1 30 LYS HA 1 31 LEU H . . 4.000 3.577 3.538 3.603 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
371 1 30 LYS HA 1 32 LEU H . . 5.000 4.102 3.449 4.498 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
372 1 30 LYS HB2 1 31 LEU H . . 5.500 2.876 2.661 3.425 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
373 1 30 LYS HB3 1 31 LEU H . . 5.500 3.591 2.838 4.093 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
374 1 30 LYS QG 1 31 LEU H . . 6.500 4.249 3.883 4.705 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
375 1 31 LEU H 1 32 LEU H . . 3.000 2.567 2.435 2.879 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
376 1 31 LEU HA 1 32 LEU H . . 4.000 3.525 3.050 3.610 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
377 1 31 LEU HB3 1 32 LEU H . . 4.500 3.927 3.517 4.508 0.008 36 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
378 1 31 LEU MD1 1 32 LEU H . . 7.000 4.704 4.456 5.462 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
379 1 32 LEU H 1 33 PRO HD2 . . 5.500 4.505 4.098 5.002 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
380 1 32 LEU H 1 33 PRO HD3 . . 5.500 3.793 3.094 4.908 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
381 1 32 LEU H 1 35 ARG H . . 6.000 5.314 4.962 6.036 0.036 4 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
382 1 32 LEU HA 1 33 PRO HD2 . . 3.000 2.309 2.150 2.897 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
383 1 32 LEU HA 1 33 PRO HD3 . . 3.000 2.510 2.080 2.809 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
384 1 32 LEU HB3 1 35 ARG H . . 5.500 3.461 2.815 4.607 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
385 1 33 PRO HA 1 34 GLY H . . 4.000 3.513 2.846 3.626 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
386 1 33 PRO HA 1 35 ARG H . . 5.000 3.972 3.451 4.804 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
387 1 33 PRO HB2 1 34 GLY H . . 5.500 2.735 1.880 3.252 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
388 1 33 PRO HB3 1 34 GLY H . . 5.500 3.942 2.733 4.340 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
389 1 34 GLY H 1 35 ARG H . . 4.000 2.993 2.599 4.005 0.005 21 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
390 1 34 GLY HA2 1 35 ARG H . . 4.000 3.188 2.391 3.580 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
391 1 34 GLY HA3 1 35 ARG H . . 4.000 3.308 2.881 3.636 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
392 1 35 ARG HA 1 35 ARG HD2 . . 4.000 2.811 2.209 4.209 0.209 24 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
393 1 35 ARG HA 1 35 ARG HD3 . . 4.500 2.351 2.089 3.183 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
394 1 35 ARG HA 1 36 THR H . . 4.000 2.494 2.184 3.590 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
395 1 35 ARG HB2 1 36 THR H . . 5.500 3.838 2.350 4.496 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
396 1 35 ARG HB3 1 36 THR H . . 5.500 3.214 2.137 4.077 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
397 1 36 THR H 1 37 ASP H . . 5.000 4.561 4.256 4.690 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
398 1 36 THR H 1 39 ALA MB . . 5.500 2.629 1.988 4.597 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
399 1 36 THR HA 1 37 ASP H . . 4.000 2.360 2.225 2.462 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
400 1 36 THR HA 1 38 ASN H . . 5.000 4.414 4.015 4.776 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
401 1 36 THR MG 1 37 ASP H . . 6.000 3.765 3.588 4.086 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
402 1 36 THR MG 1 38 ASN H . . 7.000 4.530 4.220 4.815 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
403 1 36 THR MG 1 39 ALA H . . 7.000 4.257 4.071 4.585 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
404 1 37 ASP H 1 38 ASN H . . 4.000 2.818 2.602 3.140 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
405 1 37 ASP H 1 39 ALA H . . 5.000 4.345 4.152 4.778 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
406 1 37 ASP H 1 40 ILE H . . 5.000 4.941 4.832 5.040 0.040 6 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
407 1 37 ASP HA 1 38 ASN H . . 4.000 3.589 3.543 3.620 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
408 1 37 ASP HA 1 39 ALA H . . 5.000 4.592 4.336 4.800 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
409 1 37 ASP HA 1 40 ILE H . . 5.000 3.724 3.490 3.944 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
410 1 37 ASP HA 1 40 ILE HB . . 5.500 3.045 2.502 3.542 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
411 1 37 ASP HA 1 41 LYS H . . 5.000 3.837 3.337 4.078 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
412 1 37 ASP QB 1 40 ILE H . . 6.500 5.172 5.020 5.380 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
413 1 38 ASN H 1 39 ALA H . . 3.000 2.770 2.614 3.006 0.006 6 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
414 1 38 ASN H 1 40 ILE H . . 5.000 4.393 4.173 4.650 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
415 1 38 ASN H 1 41 LYS H . . 5.000 4.749 4.660 4.833 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
416 1 38 ASN HA 1 39 ALA H . . 5.000 3.609 3.579 3.626 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
417 1 38 ASN HA 1 41 LYS H . . 4.000 3.699 3.380 4.051 0.051 25 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
418 1 38 ASN HA 1 41 LYS HB2 . . 5.500 3.666 3.081 4.347 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
419 1 38 ASN HA 1 41 LYS HB3 . . 4.500 2.645 2.233 3.235 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
420 1 38 ASN HA 1 42 ASN H . . 5.000 3.769 3.474 3.997 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
421 1 38 ASN QB 1 42 ASN H . . 6.500 4.783 4.418 5.272 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
422 1 38 ASN HB2 1 39 ALA H . . 4.500 3.193 2.359 3.945 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
423 1 38 ASN HB3 1 39 ALA H . . 4.500 3.250 2.316 4.135 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
424 1 39 ALA H 1 40 ILE H . . 3.000 2.806 2.670 2.895 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
425 1 39 ALA H 1 40 ILE HB . . 5.500 4.970 4.733 5.137 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
426 1 39 ALA H 1 40 ILE HG13 . . 5.500 4.518 4.267 4.771 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
427 1 39 ALA HA 1 40 ILE H . . 4.000 3.620 3.603 3.638 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
428 1 39 ALA HA 1 42 ASN H . . 4.000 3.850 3.675 4.047 0.047 1 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
429 1 39 ALA HA 1 42 ASN QB . . 5.500 3.029 2.752 4.343 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
430 1 39 ALA HA 1 43 HIS H . . 5.000 3.909 3.701 4.182 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
431 1 39 ALA MB 1 40 ILE H . . 5.500 2.389 2.291 2.491 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
432 1 40 ILE H 1 41 LYS H . . 3.000 2.727 2.619 2.830 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
433 1 40 ILE H 1 41 LYS HB2 . . 5.500 5.056 4.870 5.171 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
434 1 40 ILE HA 1 41 LYS H . . 4.000 3.602 3.575 3.619 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
435 1 40 ILE HA 1 42 ASN H . . 5.000 4.731 4.514 4.935 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
436 1 40 ILE HA 1 43 HIS H . . 4.000 3.679 3.464 3.957 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
437 1 40 ILE HA 1 43 HIS HB3 . . 4.500 2.549 2.227 2.914 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
438 1 40 ILE HA 1 43 HIS HD2 . . 5.500 3.454 3.048 3.958 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
439 1 40 ILE HA 1 44 TRP H . . 5.000 3.805 3.633 3.967 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
440 1 40 ILE HB 1 41 LYS H . . 4.000 2.497 2.341 2.705 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
441 1 40 ILE MD 1 41 LYS H . . 7.000 4.234 4.074 4.709 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
442 1 40 ILE HG13 1 41 LYS H . . 5.500 4.282 4.017 4.407 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
443 1 40 ILE MG 1 41 LYS H . . 7.000 3.347 3.132 3.697 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
444 1 40 ILE MG 1 44 TRP H . . 7.000 3.814 3.586 4.021 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
445 1 41 LYS H 1 42 ASN H . . 3.000 2.887 2.778 2.978 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
446 1 41 LYS HA 1 41 LYS HG2 . . 4.000 3.187 2.702 3.427 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
447 1 41 LYS HA 1 41 LYS HG3 . . 4.500 2.490 2.367 2.847 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
448 1 41 LYS HA 1 42 ASN H . . 4.000 3.618 3.604 3.655 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
449 1 41 LYS HA 1 43 HIS H . . 5.000 4.801 4.583 4.966 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
450 1 41 LYS HA 1 44 TRP H . . 4.000 3.844 3.618 4.013 0.013 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
451 1 41 LYS HA 1 44 TRP HB2 . . 4.500 4.082 3.679 4.600 0.100 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
452 1 41 LYS HA 1 44 TRP HB3 . . 5.500 3.092 2.803 3.377 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
453 1 41 LYS HA 1 44 TRP HD1 . . 5.500 5.065 4.599 5.516 0.016 1 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
454 1 41 LYS HA 1 45 ASN H . . 5.000 3.988 3.812 4.591 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
455 1 41 LYS HB2 1 42 ASN H . . 4.500 3.796 3.687 3.891 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
456 1 41 LYS HB3 1 42 ASN H . . 4.000 2.374 2.220 2.517 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
457 1 41 LYS HG2 1 42 ASN H . . 5.500 3.458 3.161 3.792 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
458 1 41 LYS HG2 1 45 ASN HD21 . . 5.500 3.218 2.499 4.528 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
459 1 41 LYS HG2 1 45 ASN HD22 . . 5.500 3.636 2.536 4.660 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
460 1 41 LYS HG3 1 42 ASN H . . 5.500 4.485 4.210 4.748 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
461 1 41 LYS HG3 1 45 ASN HD21 . . 5.500 3.238 2.618 4.544 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
462 1 41 LYS HG3 1 45 ASN HD22 . . 4.500 2.973 2.426 3.574 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
463 1 42 ASN H 1 43 HIS H . . 3.000 2.797 2.655 2.929 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
464 1 42 ASN H 1 44 TRP H . . 5.000 4.386 4.231 4.625 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
465 1 42 ASN HA 1 43 HIS H . . 4.000 3.611 3.588 3.623 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
466 1 42 ASN HA 1 44 TRP H . . 5.000 4.699 4.513 4.971 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
467 1 42 ASN HA 1 45 ASN H . . 4.000 3.706 3.458 4.000 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
468 1 42 ASN HA 1 45 ASN QD . . 6.500 3.938 3.033 4.833 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
469 1 42 ASN QB 1 43 HIS H . . 5.000 2.442 2.249 3.491 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
470 1 42 ASN QB 1 44 TRP H . . 6.500 4.843 4.669 5.431 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
471 1 43 HIS H 1 44 TRP H . . 3.000 2.905 2.805 3.006 0.006 15 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
472 1 43 HIS H 1 44 TRP HB2 . . 5.500 5.271 5.140 5.443 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
473 1 43 HIS HA 1 44 TRP H . . 4.000 3.615 3.601 3.626 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
474 1 43 HIS HB2 1 44 TRP H . . 4.000 3.938 3.811 4.072 0.072 32 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
475 1 43 HIS HB3 1 44 TRP H . . 4.500 2.546 2.350 2.802 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
476 1 43 HIS HD2 1 44 TRP H . . 5.500 3.737 3.013 4.394 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
477 1 43 HIS HD2 1 44 TRP HA . . 5.500 4.204 3.378 4.815 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
478 1 43 HIS HD2 1 48 MET ME . . 7.000 4.546 2.864 5.834 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
479 1 43 HIS HD2 1 48 MET QG . . 6.500 4.972 3.265 5.800 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
480 1 43 HIS HE1 1 47 THR HB . . 5.500 2.987 2.505 4.313 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
481 1 43 HIS HE1 1 47 THR MG . . 6.000 2.774 2.273 5.003 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
482 1 43 HIS HE1 1 48 MET HA . . 6.500 6.289 5.557 6.515 0.015 30 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
483 1 43 HIS HE1 1 48 MET HG2 . . 5.500 4.733 3.229 5.528 0.028 35 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
484 1 43 HIS HE1 1 48 MET HG3 . . 5.500 3.938 3.220 5.460 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
485 1 44 TRP H 1 45 ASN H . . 3.000 2.820 2.654 2.999 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
486 1 44 TRP H 1 46 SER H . . 5.000 4.438 3.881 5.007 0.007 11 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
487 1 44 TRP HA 1 45 ASN H . . 5.000 3.613 3.561 3.633 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
488 1 44 TRP HA 1 48 MET H . . 4.000 2.759 2.268 4.048 0.048 43 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
489 1 44 TRP HA 1 48 MET QB . . 5.500 2.398 1.933 3.237 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
490 1 44 TRP HB2 1 45 ASN H . . 4.000 3.807 3.681 4.066 0.066 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
491 1 44 TRP HB3 1 45 ASN H . . 4.500 2.414 2.188 2.896 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
492 1 44 TRP HD1 1 45 ASN H . . 4.500 3.323 2.857 4.038 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
493 1 44 TRP HD1 1 45 ASN HA . . 4.500 2.993 2.595 3.599 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
494 1 44 TRP HD1 1 45 ASN HB2 . . 5.500 4.634 4.187 5.194 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
495 1 44 TRP HD1 1 48 MET HB2 . . 5.500 4.716 3.603 5.531 0.031 14 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
496 1 44 TRP HD1 1 48 MET HB3 . . 6.500 5.607 4.617 6.513 0.013 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
497 1 44 TRP HD1 1 48 MET ME . . 7.000 5.726 4.969 5.856 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
498 1 44 TRP HD1 1 49 ARG HB2 . . 6.500 5.128 2.843 6.522 0.022 16 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
499 1 44 TRP HD1 1 49 ARG HB3 . . 6.500 5.880 2.549 6.513 0.013 24 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
500 1 44 TRP HE1 1 45 ASN HA . . 5.500 4.882 4.300 5.403 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
501 1 44 TRP HE1 1 48 MET ME . . 7.000 5.474 4.650 5.849 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
502 1 44 TRP HE1 1 49 ARG QG . . 5.500 4.430 2.959 4.936 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
503 1 44 TRP HE1 1 51 LYS QG . . 5.500 4.067 1.865 4.951 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
504 1 44 TRP HE3 1 45 ASN H . . 6.500 6.140 5.925 6.307 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
505 1 44 TRP HE3 1 48 MET HB2 . . 4.500 3.726 3.218 4.540 0.040 16 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
506 1 44 TRP HE3 1 48 MET HB3 . . 5.500 4.328 3.073 5.505 0.005 24 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
507 1 44 TRP HE3 1 48 MET ME . . 7.000 2.632 2.024 3.512 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
508 1 44 TRP HH2 1 48 MET ME . . 8.500 3.698 2.815 4.855 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
509 1 44 TRP HZ2 1 52 VAL QG . . 8.900 5.367 2.495 6.607 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
510 1 44 TRP HZ3 1 48 MET ME . . 8.500 2.516 2.229 3.106 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
511 1 45 ASN H 1 46 SER H . . 4.000 3.057 2.310 3.608 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
512 1 45 ASN HA 1 46 SER H . . 4.000 3.170 2.589 3.609 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
513 1 45 ASN HA 1 48 MET H . . 5.000 4.940 4.127 5.045 0.045 7 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
514 1 45 ASN HA 1 49 ARG HB2 . . 5.500 3.497 2.261 5.458 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
515 1 45 ASN HA 1 49 ARG HB3 . . 5.500 4.570 2.334 5.519 0.019 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
516 1 45 ASN HA 1 49 ARG QD . . 5.500 3.197 2.044 4.907 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
517 1 45 ASN HB2 1 46 SER H . . 4.500 3.611 2.622 4.468 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
518 1 45 ASN HB3 1 46 SER H . . 4.500 4.073 3.438 4.507 0.007 16 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
519 1 46 SER H 1 47 THR H . . 4.000 2.426 2.026 2.732 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
520 1 46 SER HA 1 47 THR H . . 4.000 3.571 3.223 3.640 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
521 1 46 SER QB 1 47 THR H . . 4.000 2.626 2.165 3.636 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
522 1 47 THR H 1 48 MET H . . 4.000 2.483 1.946 2.800 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
523 1 47 THR HA 1 48 MET H . . 4.000 3.583 2.725 3.641 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
524 1 47 THR HB 1 48 MET H . . 4.500 2.452 1.973 4.379 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
525 1 48 MET HA 1 49 ARG H . . 4.000 3.120 2.445 3.617 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
526 1 48 MET HB3 1 49 ARG H . . 5.500 3.393 1.910 4.543 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
527 1 49 ARG H 1 50 ARG H . . 5.000 3.532 2.263 4.700 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
528 1 49 ARG HA 1 50 ARG H . . 5.000 2.944 2.199 3.631 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
529 1 49 ARG HB2 1 50 ARG H . . 5.500 3.950 2.050 4.696 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
530 1 49 ARG HB3 1 50 ARG H . . 5.500 3.406 1.880 4.691 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
531 1 50 ARG HA 1 51 LYS H . . 4.000 2.845 2.164 3.626 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
532 1 50 ARG HB2 1 51 LYS H . . 5.500 3.798 2.040 4.576 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
533 1 50 ARG HB3 1 51 LYS H . . 4.500 3.648 1.886 4.557 0.057 38 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
534 1 51 LYS HA 1 52 VAL H . . 4.000 2.904 2.168 3.620 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
535 1 51 LYS HB2 1 52 VAL H . . 5.500 3.654 1.877 4.704 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
536 1 51 LYS HB3 1 52 VAL H . . 5.500 3.800 1.840 4.689 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
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