NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
467984 |
1ba5   |
4210 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ba5
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 541
_Distance_constraint_stats_list.Viol_count 129
_Distance_constraint_stats_list.Viol_total 124.540
_Distance_constraint_stats_list.Viol_max 0.596
_Distance_constraint_stats_list.Viol_rms 0.0131
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0007
_Distance_constraint_stats_list.Viol_average_violations_only 0.0536
_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 3 ARG 0.000 0.000 . 0 "[ . 1 . ]"
1 4 GLN 0.000 0.000 . 0 "[ . 1 . ]"
1 5 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 6 TRP 0.697 0.119 7 0 "[ . 1 . ]"
1 7 LEU 0.026 0.026 3 0 "[ . 1 . ]"
1 8 TRP 1.784 0.596 7 2 "[ . +- 1 . ]"
1 9 GLU 0.127 0.026 12 0 "[ . 1 . ]"
1 10 GLU 0.065 0.036 14 0 "[ . 1 . ]"
1 11 ASP 1.789 0.596 7 2 "[ . +- 1 . ]"
1 12 LYS 0.447 0.305 3 0 "[ . 1 . ]"
1 13 ASN 0.020 0.014 10 0 "[ . 1 . ]"
1 14 LEU 0.005 0.005 5 0 "[ . 1 . ]"
1 15 ARG 1.701 0.511 2 1 "[ + . 1 . ]"
1 16 SER 0.055 0.025 3 0 "[ . 1 . ]"
1 17 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 18 VAL 0.038 0.016 3 0 "[ . 1 . ]"
1 19 ARG 0.016 0.016 3 0 "[ . 1 . ]"
1 20 LYS 0.055 0.025 3 0 "[ . 1 . ]"
1 21 TYR 0.019 0.019 14 0 "[ . 1 . ]"
1 22 GLY 0.019 0.019 14 0 "[ . 1 . ]"
1 23 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 24 GLY 0.336 0.169 14 0 "[ . 1 . ]"
1 25 ASN 0.311 0.169 14 0 "[ . 1 . ]"
1 26 TRP 0.062 0.021 1 0 "[ . 1 . ]"
1 27 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 28 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 29 ILE 0.034 0.025 7 0 "[ . 1 . ]"
1 30 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 31 LEU 0.192 0.048 7 0 "[ . 1 . ]"
1 32 HIS 0.357 0.082 3 0 "[ . 1 . ]"
1 33 TYR 0.149 0.082 3 0 "[ . 1 . ]"
1 34 LYS 0.670 0.254 13 0 "[ . 1 . ]"
1 35 PHE 0.685 0.254 13 0 "[ . 1 . ]"
1 36 ASN 0.488 0.066 8 0 "[ . 1 . ]"
1 37 ASN 0.014 0.014 16 0 "[ . 1 . ]"
1 38 ARG 0.468 0.066 8 0 "[ . 1 . ]"
1 39 THR 0.068 0.022 10 0 "[ . 1 . ]"
1 40 SER 0.034 0.019 3 0 "[ . 1 . ]"
1 41 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 42 MET 0.063 0.022 10 0 "[ . 1 . ]"
1 43 LEU 0.034 0.017 13 0 "[ . 1 . ]"
1 44 LYS 0.032 0.019 9 0 "[ . 1 . ]"
1 45 ASP 0.073 0.033 9 0 "[ . 1 . ]"
1 46 ARG 0.029 0.018 5 0 "[ . 1 . ]"
1 47 TRP 1.377 0.511 2 1 "[ + . 1 . ]"
1 48 ARG 0.059 0.033 9 0 "[ . 1 . ]"
1 49 THR 0.025 0.025 14 0 "[ . 1 . ]"
1 50 MET 0.173 0.124 18 0 "[ . 1 . ]"
1 51 LYS 0.216 0.099 10 0 "[ . 1 . ]"
1 52 LYS 0.025 0.025 14 0 "[ . 1 . ]"
1 53 LEU 0.363 0.124 18 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 ARG QB 1 4 GLN H . . 6.500 3.256 1.856 4.072 . 0 0 "[ . 1 . ]" 1
2 1 4 GLN HA 1 5 ALA H . . 5.000 2.577 2.163 3.610 . 0 0 "[ . 1 . ]" 1
3 1 5 ALA HA 1 6 TRP H . . 4.000 2.763 2.157 3.615 . 0 0 "[ . 1 . ]" 1
4 1 5 ALA HA 1 6 TRP HD1 . . 5.500 3.751 2.946 5.063 . 0 0 "[ . 1 . ]" 1
5 1 5 ALA MB 1 6 TRP H . . 6.000 2.463 1.798 3.769 . 0 0 "[ . 1 . ]" 1
6 1 5 ALA MB 1 6 TRP HD1 . . 7.000 3.658 2.308 4.773 . 0 0 "[ . 1 . ]" 1
7 1 6 TRP H 1 6 TRP HB3 . . 4.000 3.763 3.445 4.119 0.119 7 0 "[ . 1 . ]" 1
8 1 6 TRP H 1 6 TRP HD1 . . 4.000 3.003 2.252 4.028 0.028 6 0 "[ . 1 . ]" 1
9 1 6 TRP H 1 7 LEU H . . 5.000 4.358 3.219 4.709 . 0 0 "[ . 1 . ]" 1
10 1 6 TRP HA 1 7 LEU H . . 3.000 2.428 2.193 2.849 . 0 0 "[ . 1 . ]" 1
11 1 6 TRP HB2 1 7 LEU H . . 5.500 3.937 3.192 4.646 . 0 0 "[ . 1 . ]" 1
12 1 6 TRP HB3 1 7 LEU H . . 5.500 2.813 1.838 4.226 . 0 0 "[ . 1 . ]" 1
13 1 6 TRP HE1 1 42 MET QB . . 6.500 3.973 2.234 4.901 . 0 0 "[ . 1 . ]" 1
14 1 6 TRP HE3 1 7 LEU H . . 6.500 4.189 2.984 5.357 . 0 0 "[ . 1 . ]" 1
15 1 6 TRP HE3 1 10 GLU HA . . 6.500 4.609 4.102 4.968 . 0 0 "[ . 1 . ]" 1
16 1 6 TRP HE3 1 10 GLU HB2 . . 4.500 3.225 2.406 4.536 0.036 14 0 "[ . 1 . ]" 1
17 1 6 TRP HE3 1 10 GLU HB3 . . 4.500 2.639 2.207 3.016 . 0 0 "[ . 1 . ]" 1
18 1 6 TRP HE3 1 10 GLU QG . . 7.500 3.925 2.323 4.793 . 0 0 "[ . 1 . ]" 1
19 1 6 TRP HE3 1 11 ASP H . . 6.500 3.575 2.955 4.234 . 0 0 "[ . 1 . ]" 1
20 1 6 TRP HE3 1 11 ASP HA . . 5.500 3.192 2.504 4.238 . 0 0 "[ . 1 . ]" 1
21 1 6 TRP HH2 1 14 LEU MD1 . . 8.000 2.996 2.259 4.247 . 0 0 "[ . 1 . ]" 1
22 1 6 TRP HH2 1 14 LEU MD2 . . 7.000 3.402 2.136 5.211 . 0 0 "[ . 1 . ]" 1
23 1 6 TRP HH2 1 35 PHE QD . . 7.500 4.451 3.273 5.668 . 0 0 "[ . 1 . ]" 1
24 1 6 TRP HH2 1 42 MET QB . . 5.500 4.073 3.097 4.900 . 0 0 "[ . 1 . ]" 1
25 1 6 TRP HH2 1 43 LEU HA . . 4.500 2.513 2.088 3.112 . 0 0 "[ . 1 . ]" 1
26 1 6 TRP HH2 1 43 LEU MD1 . . 6.000 4.211 2.328 5.000 . 0 0 "[ . 1 . ]" 1
27 1 6 TRP HH2 1 43 LEU MD2 . . 5.500 2.640 2.030 4.032 . 0 0 "[ . 1 . ]" 1
28 1 6 TRP HH2 1 43 LEU HG . . 4.500 3.162 2.234 4.517 0.017 13 0 "[ . 1 . ]" 1
29 1 6 TRP HH2 1 46 ARG QG . . 6.500 3.958 3.163 5.386 . 0 0 "[ . 1 . ]" 1
30 1 6 TRP HZ2 1 38 ARG QD . . 7.500 3.156 2.364 4.619 . 0 0 "[ . 1 . ]" 1
31 1 6 TRP HZ2 1 42 MET HA . . 6.500 4.283 3.412 4.967 . 0 0 "[ . 1 . ]" 1
32 1 6 TRP HZ2 1 42 MET QB . . 5.000 2.651 2.171 3.637 . 0 0 "[ . 1 . ]" 1
33 1 6 TRP HZ2 1 42 MET QG . . 6.500 4.360 2.123 5.704 . 0 0 "[ . 1 . ]" 1
34 1 6 TRP HZ2 1 43 LEU HA . . 5.500 3.464 2.686 4.236 . 0 0 "[ . 1 . ]" 1
35 1 6 TRP HZ2 1 43 LEU MD1 . . 7.000 5.056 2.575 5.849 . 0 0 "[ . 1 . ]" 1
36 1 6 TRP HZ2 1 43 LEU MD2 . . 7.000 4.296 2.796 5.837 . 0 0 "[ . 1 . ]" 1
37 1 6 TRP HZ2 1 46 ARG H . . 6.500 4.540 3.856 6.002 . 0 0 "[ . 1 . ]" 1
38 1 6 TRP HZ2 1 46 ARG QB . . 6.500 3.093 2.202 4.524 . 0 0 "[ . 1 . ]" 1
39 1 6 TRP HZ2 1 46 ARG QG . . 5.500 3.534 2.287 4.928 . 0 0 "[ . 1 . ]" 1
40 1 6 TRP HZ3 1 14 LEU HB2 . . 5.500 2.576 2.220 3.570 . 0 0 "[ . 1 . ]" 1
41 1 6 TRP HZ3 1 14 LEU HB3 . . 5.500 3.771 2.930 4.546 . 0 0 "[ . 1 . ]" 1
42 1 6 TRP HZ3 1 14 LEU MD1 . . 8.000 3.039 2.110 4.389 . 0 0 "[ . 1 . ]" 1
43 1 6 TRP HZ3 1 14 LEU MD2 . . 7.000 3.022 2.273 4.472 . 0 0 "[ . 1 . ]" 1
44 1 6 TRP HZ3 1 35 PHE QE . . 6.500 2.836 2.223 4.621 . 0 0 "[ . 1 . ]" 1
45 1 6 TRP HZ3 1 43 LEU MD2 . . 6.000 3.708 2.202 5.005 . 0 0 "[ . 1 . ]" 1
46 1 7 LEU H 1 7 LEU HG . . 4.000 2.827 2.054 4.026 0.026 3 0 "[ . 1 . ]" 1
47 1 7 LEU H 1 10 GLU H . . 5.000 3.741 3.451 4.134 . 0 0 "[ . 1 . ]" 1
48 1 7 LEU H 1 10 GLU QB . . 6.500 2.508 1.999 3.088 . 0 0 "[ . 1 . ]" 1
49 1 7 LEU H 1 11 ASP H . . 6.500 4.129 3.506 5.158 . 0 0 "[ . 1 . ]" 1
50 1 7 LEU HA 1 8 TRP H . . 4.000 2.395 2.246 2.529 . 0 0 "[ . 1 . ]" 1
51 1 7 LEU HA 1 9 GLU H . . 6.000 4.411 4.131 4.709 . 0 0 "[ . 1 . ]" 1
52 1 7 LEU QB 1 8 TRP H . . 5.500 2.520 2.273 2.931 . 0 0 "[ . 1 . ]" 1
53 1 7 LEU QD 1 9 GLU H . . 9.400 3.500 2.043 4.205 . 0 0 "[ . 1 . ]" 1
54 1 7 LEU QD 1 10 GLU H . . 10.400 3.548 1.832 4.271 . 0 0 "[ . 1 . ]" 1
55 1 7 LEU QD 1 36 ASN H . . 10.400 5.526 3.974 7.047 . 0 0 "[ . 1 . ]" 1
56 1 7 LEU QD 1 36 ASN QD . . 10.400 4.409 2.033 6.875 . 0 0 "[ . 1 . ]" 1
57 1 8 TRP H 1 8 TRP HD1 . . 5.500 3.701 2.111 5.164 . 0 0 "[ . 1 . ]" 1
58 1 8 TRP H 1 8 TRP HE3 . . 5.500 3.658 1.876 5.417 . 0 0 "[ . 1 . ]" 1
59 1 8 TRP H 1 9 GLU H . . 4.000 2.848 2.692 3.068 . 0 0 "[ . 1 . ]" 1
60 1 8 TRP H 1 10 GLU H . . 5.000 4.444 4.081 4.984 . 0 0 "[ . 1 . ]" 1
61 1 8 TRP HA 1 9 GLU H . . 5.000 3.594 3.552 3.631 . 0 0 "[ . 1 . ]" 1
62 1 8 TRP HA 1 10 GLU H . . 5.000 4.591 3.891 4.982 . 0 0 "[ . 1 . ]" 1
63 1 8 TRP HA 1 11 ASP H . . 5.000 3.585 3.074 3.782 . 0 0 "[ . 1 . ]" 1
64 1 8 TRP HA 1 11 ASP HB2 . . 5.500 3.177 2.197 4.019 . 0 0 "[ . 1 . ]" 1
65 1 8 TRP HA 1 11 ASP HB3 . . 4.000 3.542 2.431 4.596 0.596 7 2 "[ . +- 1 . ]" 1
66 1 8 TRP HA 1 12 LYS H . . 5.000 3.965 3.481 4.814 . 0 0 "[ . 1 . ]" 1
67 1 8 TRP QB 1 9 GLU H . . 5.500 3.343 2.536 3.557 . 0 0 "[ . 1 . ]" 1
68 1 8 TRP HD1 1 9 GLU H . . 6.500 4.005 3.360 5.757 . 0 0 "[ . 1 . ]" 1
69 1 8 TRP HE3 1 9 GLU H . . 5.500 3.537 2.538 4.237 . 0 0 "[ . 1 . ]" 1
70 1 8 TRP HE3 1 9 GLU QB . . 6.500 4.387 3.602 5.331 . 0 0 "[ . 1 . ]" 1
71 1 8 TRP HE3 1 9 GLU QG . . 6.500 4.716 2.883 5.803 . 0 0 "[ . 1 . ]" 1
72 1 8 TRP HZ3 1 9 GLU QB . . 6.500 4.771 3.618 5.801 . 0 0 "[ . 1 . ]" 1
73 1 8 TRP HZ3 1 9 GLU QG . . 7.500 5.031 3.321 6.011 . 0 0 "[ . 1 . ]" 1
74 1 9 GLU H 1 10 GLU H . . 3.000 2.747 2.561 3.007 0.007 17 0 "[ . 1 . ]" 1
75 1 9 GLU H 1 11 ASP H . . 5.000 4.206 4.065 4.350 . 0 0 "[ . 1 . ]" 1
76 1 9 GLU H 1 12 LYS H . . 5.000 4.788 4.611 5.026 0.026 12 0 "[ . 1 . ]" 1
77 1 9 GLU HA 1 10 GLU H . . 5.000 3.597 3.523 3.629 . 0 0 "[ . 1 . ]" 1
78 1 9 GLU HA 1 11 ASP H . . 5.000 4.569 4.300 4.790 . 0 0 "[ . 1 . ]" 1
79 1 9 GLU HA 1 12 LYS H . . 4.000 3.638 3.355 4.024 0.024 9 0 "[ . 1 . ]" 1
80 1 9 GLU HA 1 12 LYS QB . . 5.000 2.979 2.278 4.453 . 0 0 "[ . 1 . ]" 1
81 1 9 GLU HA 1 13 ASN H . . 5.000 3.980 3.579 4.480 . 0 0 "[ . 1 . ]" 1
82 1 9 GLU QB 1 10 GLU H . . 5.500 2.807 2.238 3.674 . 0 0 "[ . 1 . ]" 1
83 1 9 GLU QG 1 10 GLU H . . 6.500 3.392 1.986 4.378 . 0 0 "[ . 1 . ]" 1
84 1 10 GLU H 1 11 ASP H . . 3.000 2.709 2.276 2.854 . 0 0 "[ . 1 . ]" 1
85 1 10 GLU H 1 12 LYS H . . 5.000 4.284 4.007 4.671 . 0 0 "[ . 1 . ]" 1
86 1 10 GLU HA 1 11 ASP H . . 5.000 3.603 3.582 3.623 . 0 0 "[ . 1 . ]" 1
87 1 10 GLU HA 1 13 ASN H . . 5.000 3.551 3.236 4.109 . 0 0 "[ . 1 . ]" 1
88 1 10 GLU HA 1 13 ASN QB . . 6.000 2.706 2.255 4.432 . 0 0 "[ . 1 . ]" 1
89 1 10 GLU HA 1 13 ASN QD . . 7.500 3.099 2.045 4.593 . 0 0 "[ . 1 . ]" 1
90 1 10 GLU HA 1 14 LEU H . . 5.000 4.044 3.507 4.636 . 0 0 "[ . 1 . ]" 1
91 1 10 GLU HA 1 35 PHE QD . . 6.500 3.941 2.630 4.714 . 0 0 "[ . 1 . ]" 1
92 1 10 GLU HA 1 35 PHE QE . . 7.500 3.561 2.673 4.354 . 0 0 "[ . 1 . ]" 1
93 1 10 GLU HB2 1 11 ASP H . . 5.500 2.912 2.449 3.743 . 0 0 "[ . 1 . ]" 1
94 1 10 GLU HB3 1 11 ASP H . . 4.500 3.315 2.468 3.746 . 0 0 "[ . 1 . ]" 1
95 1 10 GLU QG 1 13 ASN QD . . 7.500 4.024 3.433 5.507 . 0 0 "[ . 1 . ]" 1
96 1 10 GLU QG 1 35 PHE QD . . 7.500 3.055 1.974 4.335 . 0 0 "[ . 1 . ]" 1
97 1 11 ASP H 1 12 LYS H . . 4.000 2.775 2.659 2.951 . 0 0 "[ . 1 . ]" 1
98 1 11 ASP HA 1 12 LYS H . . 5.000 3.609 3.575 3.645 . 0 0 "[ . 1 . ]" 1
99 1 11 ASP HA 1 14 LEU H . . 4.000 3.557 3.286 4.005 0.005 5 0 "[ . 1 . ]" 1
100 1 11 ASP HA 1 14 LEU HB2 . . 4.500 3.491 3.030 4.358 . 0 0 "[ . 1 . ]" 1
101 1 11 ASP HA 1 14 LEU HB3 . . 5.500 2.946 2.415 3.410 . 0 0 "[ . 1 . ]" 1
102 1 11 ASP HA 1 15 ARG H . . 5.000 4.164 3.830 4.691 . 0 0 "[ . 1 . ]" 1
103 1 11 ASP HB2 1 12 LYS H . . 5.500 3.178 2.305 4.027 . 0 0 "[ . 1 . ]" 1
104 1 11 ASP HB3 1 12 LYS H . . 5.500 2.949 2.398 3.752 . 0 0 "[ . 1 . ]" 1
105 1 12 LYS H 1 13 ASN H . . 5.000 2.729 2.622 2.861 . 0 0 "[ . 1 . ]" 1
106 1 12 LYS HA 1 13 ASN H . . 5.000 3.591 3.504 3.650 . 0 0 "[ . 1 . ]" 1
107 1 12 LYS HA 1 15 ARG H . . 4.000 3.644 3.304 3.873 . 0 0 "[ . 1 . ]" 1
108 1 12 LYS HA 1 15 ARG HB3 . . 5.000 3.886 2.541 5.305 0.305 3 0 "[ . 1 . ]" 1
109 1 12 LYS QB 1 13 ASN H . . 6.500 2.656 2.258 3.613 . 0 0 "[ . 1 . ]" 1
110 1 12 LYS QD 1 13 ASN H . . 5.500 3.981 2.136 4.931 . 0 0 "[ . 1 . ]" 1
111 1 12 LYS QD 1 15 ARG H . . 7.500 5.958 4.680 6.720 . 0 0 "[ . 1 . ]" 1
112 1 12 LYS QG 1 13 ASN H . . 6.500 3.532 1.979 4.188 . 0 0 "[ . 1 . ]" 1
113 1 13 ASN H 1 14 LEU H . . 3.000 2.706 2.518 2.820 . 0 0 "[ . 1 . ]" 1
114 1 13 ASN HA 1 14 LEU H . . 5.000 3.585 3.523 3.608 . 0 0 "[ . 1 . ]" 1
115 1 13 ASN HA 1 15 ARG H . . 5.000 4.764 4.334 5.014 0.014 10 0 "[ . 1 . ]" 1
116 1 13 ASN HA 1 16 SER H . . 5.000 3.734 3.234 4.051 . 0 0 "[ . 1 . ]" 1
117 1 13 ASN HA 1 16 SER QB . . 6.000 3.075 2.462 4.428 . 0 0 "[ . 1 . ]" 1
118 1 13 ASN HA 1 17 GLY H . . 5.000 3.831 3.373 4.995 . 0 0 "[ . 1 . ]" 1
119 1 13 ASN HA 1 33 TYR QD . . 7.500 3.708 2.396 5.089 . 0 0 "[ . 1 . ]" 1
120 1 13 ASN QB 1 33 TYR QD . . 8.500 3.151 2.110 5.366 . 0 0 "[ . 1 . ]" 1
121 1 13 ASN QB 1 35 PHE QD . . 8.500 4.231 3.331 5.599 . 0 0 "[ . 1 . ]" 1
122 1 13 ASN QB 1 35 PHE QE . . 8.500 3.144 2.181 4.642 . 0 0 "[ . 1 . ]" 1
123 1 13 ASN QB 1 35 PHE HZ . . 5.500 3.477 2.332 4.919 . 0 0 "[ . 1 . ]" 1
124 1 13 ASN HB2 1 14 LEU H . . 4.500 3.180 2.401 4.316 . 0 0 "[ . 1 . ]" 1
125 1 13 ASN HB3 1 14 LEU H . . 5.500 3.346 2.419 4.250 . 0 0 "[ . 1 . ]" 1
126 1 13 ASN QD 1 33 TYR QB . . 6.500 3.130 1.971 4.654 . 0 0 "[ . 1 . ]" 1
127 1 13 ASN QD 1 33 TYR QD . . 8.500 3.423 2.070 4.415 . 0 0 "[ . 1 . ]" 1
128 1 13 ASN QD 1 34 LYS H . . 5.500 4.001 2.872 4.913 . 0 0 "[ . 1 . ]" 1
129 1 13 ASN QD 1 34 LYS QB . . 6.500 3.918 1.929 5.167 . 0 0 "[ . 1 . ]" 1
130 1 14 LEU H 1 15 ARG H . . 3.000 2.793 2.642 2.955 . 0 0 "[ . 1 . ]" 1
131 1 14 LEU H 1 16 SER H . . 5.000 4.276 3.837 4.641 . 0 0 "[ . 1 . ]" 1
132 1 14 LEU HA 1 15 ARG H . . 5.000 3.616 3.593 3.639 . 0 0 "[ . 1 . ]" 1
133 1 14 LEU HA 1 17 GLY H . . 5.000 3.773 3.406 3.980 . 0 0 "[ . 1 . ]" 1
134 1 14 LEU HA 1 18 VAL H . . 5.000 3.667 3.440 3.952 . 0 0 "[ . 1 . ]" 1
135 1 14 LEU HA 1 35 PHE HZ . . 4.000 2.485 2.057 3.093 . 0 0 "[ . 1 . ]" 1
136 1 14 LEU HB2 1 15 ARG H . . 4.500 3.743 3.358 3.882 . 0 0 "[ . 1 . ]" 1
137 1 14 LEU HB2 1 35 PHE QE . . 7.500 2.822 2.190 3.533 . 0 0 "[ . 1 . ]" 1
138 1 14 LEU HB2 1 35 PHE HZ . . 6.500 3.086 2.126 4.440 . 0 0 "[ . 1 . ]" 1
139 1 14 LEU HB3 1 15 ARG H . . 5.500 2.367 2.188 2.540 . 0 0 "[ . 1 . ]" 1
140 1 14 LEU HB3 1 35 PHE QE . . 6.500 4.329 3.801 4.912 . 0 0 "[ . 1 . ]" 1
141 1 14 LEU HB3 1 35 PHE HZ . . 5.500 4.486 3.752 5.459 . 0 0 "[ . 1 . ]" 1
142 1 14 LEU MD1 1 17 GLY H . . 8.000 5.284 4.514 6.442 . 0 0 "[ . 1 . ]" 1
143 1 14 LEU MD1 1 18 VAL H . . 8.000 4.169 3.324 5.585 . 0 0 "[ . 1 . ]" 1
144 1 14 LEU MD1 1 18 VAL MG2 . . 7.000 2.476 1.965 3.462 . 0 0 "[ . 1 . ]" 1
145 1 14 LEU MD1 1 26 TRP HE3 . . 6.000 3.872 3.386 4.924 . 0 0 "[ . 1 . ]" 1
146 1 14 LEU MD1 1 26 TRP HZ3 . . 5.500 2.960 2.219 4.582 . 0 0 "[ . 1 . ]" 1
147 1 14 LEU MD1 1 35 PHE QE . . 8.000 3.149 2.295 4.274 . 0 0 "[ . 1 . ]" 1
148 1 14 LEU MD1 1 35 PHE HZ . . 6.000 3.077 2.466 4.447 . 0 0 "[ . 1 . ]" 1
149 1 14 LEU MD1 1 43 LEU MD1 . . 8.500 3.856 3.309 5.234 . 0 0 "[ . 1 . ]" 1
150 1 14 LEU MD1 1 43 LEU MD2 . . 8.500 2.207 1.836 3.446 . 0 0 "[ . 1 . ]" 1
151 1 14 LEU MD1 1 46 ARG H . . 7.000 5.330 4.254 5.849 . 0 0 "[ . 1 . ]" 1
152 1 14 LEU MD1 1 47 TRP H . . 8.000 3.999 2.915 4.523 . 0 0 "[ . 1 . ]" 1
153 1 14 LEU MD1 1 47 TRP QB . . 8.000 2.878 2.096 3.731 . 0 0 "[ . 1 . ]" 1
154 1 14 LEU MD1 1 47 TRP HE3 . . 7.000 4.022 2.584 4.999 . 0 0 "[ . 1 . ]" 1
155 1 14 LEU MD2 1 15 ARG H . . 8.000 3.768 2.704 4.652 . 0 0 "[ . 1 . ]" 1
156 1 14 LEU MD2 1 18 VAL MG2 . . 8.500 3.350 2.272 3.932 . 0 0 "[ . 1 . ]" 1
157 1 14 LEU MD2 1 26 TRP HE3 . . 8.000 5.526 3.924 6.491 . 0 0 "[ . 1 . ]" 1
158 1 14 LEU MD2 1 26 TRP HZ3 . . 7.000 4.203 3.458 5.119 . 0 0 "[ . 1 . ]" 1
159 1 14 LEU MD2 1 35 PHE QE . . 9.000 4.265 2.563 5.189 . 0 0 "[ . 1 . ]" 1
160 1 14 LEU MD2 1 47 TRP H . . 7.000 3.250 2.573 4.502 . 0 0 "[ . 1 . ]" 1
161 1 14 LEU MD2 1 47 TRP HA . . 8.000 2.866 2.203 4.819 . 0 0 "[ . 1 . ]" 1
162 1 14 LEU MD2 1 47 TRP QB . . 7.000 2.469 2.122 3.527 . 0 0 "[ . 1 . ]" 1
163 1 14 LEU MD2 1 47 TRP HE3 . . 6.000 2.705 2.036 4.826 . 0 0 "[ . 1 . ]" 1
164 1 14 LEU HG 1 35 PHE QE . . 7.500 4.911 4.177 5.722 . 0 0 "[ . 1 . ]" 1
165 1 15 ARG H 1 16 SER H . . 3.000 2.831 2.662 3.000 0.000 15 0 "[ . 1 . ]" 1
166 1 15 ARG H 1 17 GLY H . . 5.000 4.276 4.013 4.591 . 0 0 "[ . 1 . ]" 1
167 1 15 ARG HA 1 16 SER H . . 5.000 3.605 3.566 3.627 . 0 0 "[ . 1 . ]" 1
168 1 15 ARG HA 1 18 VAL H . . 5.000 4.000 3.648 4.247 . 0 0 "[ . 1 . ]" 1
169 1 15 ARG HA 1 18 VAL HB . . 5.000 3.249 2.798 3.698 . 0 0 "[ . 1 . ]" 1
170 1 15 ARG HA 1 18 VAL MG1 . . 8.000 4.510 4.159 5.040 . 0 0 "[ . 1 . ]" 1
171 1 15 ARG HA 1 18 VAL MG2 . . 8.000 4.024 3.602 4.265 . 0 0 "[ . 1 . ]" 1
172 1 15 ARG HA 1 47 TRP HH2 . . 5.500 3.474 2.896 4.104 . 0 0 "[ . 1 . ]" 1
173 1 15 ARG HA 1 47 TRP HZ3 . . 4.500 2.396 2.106 2.977 . 0 0 "[ . 1 . ]" 1
174 1 15 ARG HB2 1 16 SER H . . 5.500 3.340 2.212 3.990 . 0 0 "[ . 1 . ]" 1
175 1 15 ARG HB2 1 47 TRP HH2 . . 6.000 4.885 3.894 5.533 . 0 0 "[ . 1 . ]" 1
176 1 15 ARG HB2 1 47 TRP HZ3 . . 4.500 3.456 2.458 4.532 0.032 14 0 "[ . 1 . ]" 1
177 1 15 ARG HB3 1 16 SER H . . 4.500 3.118 2.336 4.128 . 0 0 "[ . 1 . ]" 1
178 1 15 ARG HB3 1 47 TRP HH2 . . 5.500 4.954 3.695 6.011 0.511 2 1 "[ + . 1 . ]" 1
179 1 15 ARG HB3 1 47 TRP HZ3 . . 4.500 3.844 2.828 4.531 0.031 5 0 "[ . 1 . ]" 1
180 1 15 ARG QG 1 16 SER H . . 5.500 3.415 2.107 4.193 . 0 0 "[ . 1 . ]" 1
181 1 16 SER H 1 17 GLY H . . 5.000 2.748 2.602 2.923 . 0 0 "[ . 1 . ]" 1
182 1 16 SER HA 1 17 GLY H . . 5.000 3.558 3.190 3.621 . 0 0 "[ . 1 . ]" 1
183 1 16 SER HA 1 19 ARG H . . 5.000 3.911 3.608 4.361 . 0 0 "[ . 1 . ]" 1
184 1 16 SER HA 1 19 ARG QB . . 6.000 3.069 2.541 4.189 . 0 0 "[ . 1 . ]" 1
185 1 16 SER HA 1 20 LYS H . . 5.000 4.387 3.919 5.025 0.025 3 0 "[ . 1 . ]" 1
186 1 16 SER HA 1 33 TYR QE . . 7.500 5.522 4.700 6.573 . 0 0 "[ . 1 . ]" 1
187 1 16 SER QB 1 17 GLY H . . 6.500 2.790 2.237 3.673 . 0 0 "[ . 1 . ]" 1
188 1 16 SER QB 1 33 TYR QE . . 7.500 3.518 2.236 5.072 . 0 0 "[ . 1 . ]" 1
189 1 17 GLY H 1 18 VAL H . . 4.000 2.804 2.158 2.989 . 0 0 "[ . 1 . ]" 1
190 1 17 GLY H 1 19 ARG H . . 5.000 4.107 3.321 4.516 . 0 0 "[ . 1 . ]" 1
191 1 17 GLY H 1 21 TYR QD . . 6.500 5.431 5.061 5.796 . 0 0 "[ . 1 . ]" 1
192 1 17 GLY H 1 29 ILE MD . . 8.000 4.973 3.819 5.954 . 0 0 "[ . 1 . ]" 1
193 1 17 GLY H 1 29 ILE MG . . 7.000 4.585 3.963 5.767 . 0 0 "[ . 1 . ]" 1
194 1 17 GLY H 1 33 TYR QE . . 7.500 3.780 2.622 4.631 . 0 0 "[ . 1 . ]" 1
195 1 17 GLY QA 1 18 VAL H . . 6.000 2.603 2.457 2.754 . 0 0 "[ . 1 . ]" 1
196 1 17 GLY QA 1 20 LYS H . . 6.000 3.525 3.253 3.711 . 0 0 "[ . 1 . ]" 1
197 1 17 GLY QA 1 20 LYS QB . . 7.000 3.052 2.400 4.653 . 0 0 "[ . 1 . ]" 1
198 1 17 GLY QA 1 21 TYR QD . . 7.500 2.798 2.280 3.204 . 0 0 "[ . 1 . ]" 1
199 1 17 GLY QA 1 21 TYR QE . . 8.500 3.335 2.855 3.693 . 0 0 "[ . 1 . ]" 1
200 1 17 GLY QA 1 33 TYR QE . . 7.500 2.401 2.088 3.155 . 0 0 "[ . 1 . ]" 1
201 1 18 VAL H 1 19 ARG H . . 3.000 2.816 2.732 3.016 0.016 3 0 "[ . 1 . ]" 1
202 1 18 VAL H 1 20 LYS H . . 5.000 4.224 3.924 4.557 . 0 0 "[ . 1 . ]" 1
203 1 18 VAL H 1 29 ILE MD . . 6.000 3.326 2.453 4.042 . 0 0 "[ . 1 . ]" 1
204 1 18 VAL HA 1 19 ARG H . . 5.000 3.605 3.587 3.628 . 0 0 "[ . 1 . ]" 1
205 1 18 VAL HB 1 19 ARG H . . 4.500 2.704 2.493 2.837 . 0 0 "[ . 1 . ]" 1
206 1 18 VAL HB 1 47 TRP HE1 . . 5.500 5.087 4.537 5.511 0.011 10 0 "[ . 1 . ]" 1
207 1 18 VAL MG1 1 19 ARG H . . 7.000 3.366 3.143 3.617 . 0 0 "[ . 1 . ]" 1
208 1 18 VAL MG1 1 20 LYS H . . 8.000 4.879 4.395 5.145 . 0 0 "[ . 1 . ]" 1
209 1 18 VAL MG1 1 22 GLY H . . 7.000 3.655 3.330 4.018 . 0 0 "[ . 1 . ]" 1
210 1 18 VAL MG1 1 23 GLU H . . 6.000 3.248 2.229 4.064 . 0 0 "[ . 1 . ]" 1
211 1 18 VAL MG1 1 23 GLU HA . . 7.000 2.509 2.085 3.314 . 0 0 "[ . 1 . ]" 1
212 1 18 VAL MG1 1 26 TRP HH2 . . 8.000 3.502 2.744 4.830 . 0 0 "[ . 1 . ]" 1
213 1 18 VAL MG1 1 26 TRP HZ3 . . 7.000 3.569 2.261 4.193 . 0 0 "[ . 1 . ]" 1
214 1 18 VAL MG1 1 47 TRP HD1 . . 7.000 3.532 2.936 4.042 . 0 0 "[ . 1 . ]" 1
215 1 18 VAL MG1 1 47 TRP HE1 . . 6.000 2.778 2.316 3.139 . 0 0 "[ . 1 . ]" 1
216 1 18 VAL MG1 1 47 TRP HH2 . . 6.000 4.009 3.511 4.682 . 0 0 "[ . 1 . ]" 1
217 1 18 VAL MG1 1 47 TRP HZ2 . . 6.000 2.917 2.455 3.426 . 0 0 "[ . 1 . ]" 1
218 1 18 VAL MG2 1 19 ARG H . . 7.000 3.984 3.828 4.093 . 0 0 "[ . 1 . ]" 1
219 1 18 VAL MG2 1 20 LYS H . . 8.000 5.363 5.022 5.592 . 0 0 "[ . 1 . ]" 1
220 1 18 VAL MG2 1 23 GLU H . . 8.000 5.213 3.963 6.292 . 0 0 "[ . 1 . ]" 1
221 1 18 VAL MG2 1 23 GLU HA . . 7.000 3.484 2.479 4.275 . 0 0 "[ . 1 . ]" 1
222 1 18 VAL MG2 1 26 TRP HE3 . . 7.000 3.445 2.771 3.825 . 0 0 "[ . 1 . ]" 1
223 1 18 VAL MG2 1 26 TRP HH2 . . 6.000 3.346 2.340 4.329 . 0 0 "[ . 1 . ]" 1
224 1 18 VAL MG2 1 26 TRP HZ3 . . 5.500 2.224 2.058 2.649 . 0 0 "[ . 1 . ]" 1
225 1 18 VAL MG2 1 29 ILE MD . . 7.000 2.275 1.995 3.028 . 0 0 "[ . 1 . ]" 1
226 1 18 VAL MG2 1 35 PHE QD . . 9.000 6.569 6.221 6.687 . 0 0 "[ . 1 . ]" 1
227 1 18 VAL MG2 1 47 TRP QB . . 9.000 3.173 2.700 3.744 . 0 0 "[ . 1 . ]" 1
228 1 18 VAL MG2 1 47 TRP HD1 . . 7.000 4.321 3.681 5.000 . 0 0 "[ . 1 . ]" 1
229 1 18 VAL MG2 1 47 TRP HE1 . . 7.000 4.543 3.396 5.301 . 0 0 "[ . 1 . ]" 1
230 1 18 VAL MG2 1 47 TRP HE3 . . 7.000 3.884 3.442 4.442 . 0 0 "[ . 1 . ]" 1
231 1 18 VAL MG2 1 47 TRP HH2 . . 8.000 5.203 4.558 5.930 . 0 0 "[ . 1 . ]" 1
232 1 18 VAL MG2 1 47 TRP HZ2 . . 7.000 4.907 3.896 5.560 . 0 0 "[ . 1 . ]" 1
233 1 18 VAL MG2 1 47 TRP HZ3 . . 8.000 4.754 4.141 5.459 . 0 0 "[ . 1 . ]" 1
234 1 19 ARG H 1 20 LYS H . . 4.000 2.697 2.532 2.836 . 0 0 "[ . 1 . ]" 1
235 1 19 ARG HA 1 20 LYS H . . 5.000 3.566 3.401 3.613 . 0 0 "[ . 1 . ]" 1
236 1 19 ARG QB 1 20 LYS H . . 5.500 2.900 2.468 3.675 . 0 0 "[ . 1 . ]" 1
237 1 20 LYS H 1 21 TYR H . . 3.000 2.612 2.197 2.884 . 0 0 "[ . 1 . ]" 1
238 1 20 LYS HA 1 21 TYR H . . 5.000 3.585 3.051 3.636 . 0 0 "[ . 1 . ]" 1
239 1 20 LYS HA 1 21 TYR QD . . 7.500 5.507 5.200 5.831 . 0 0 "[ . 1 . ]" 1
240 1 20 LYS QB 1 21 TYR H . . 5.500 2.580 2.156 3.843 . 0 0 "[ . 1 . ]" 1
241 1 20 LYS QB 1 21 TYR QD . . 7.500 3.501 2.774 4.794 . 0 0 "[ . 1 . ]" 1
242 1 20 LYS QD 1 21 TYR H . . 7.500 4.491 3.828 4.985 . 0 0 "[ . 1 . ]" 1
243 1 20 LYS QD 1 21 TYR QD . . 8.500 4.699 3.130 6.184 . 0 0 "[ . 1 . ]" 1
244 1 20 LYS QD 1 21 TYR QE . . 8.500 4.522 2.650 6.658 . 0 0 "[ . 1 . ]" 1
245 1 20 LYS QG 1 21 TYR H . . 7.500 3.708 2.345 4.928 . 0 0 "[ . 1 . ]" 1
246 1 20 LYS QG 1 21 TYR QE . . 9.500 4.655 3.201 5.892 . 0 0 "[ . 1 . ]" 1
247 1 21 TYR H 1 22 GLY H . . 3.000 2.667 1.842 3.019 0.019 14 0 "[ . 1 . ]" 1
248 1 21 TYR H 1 22 GLY QA . . 7.500 4.397 3.642 4.595 . 0 0 "[ . 1 . ]" 1
249 1 21 TYR H 1 29 ILE MD . . 8.000 4.195 3.417 4.869 . 0 0 "[ . 1 . ]" 1
250 1 21 TYR HA 1 22 GLY H . . 4.000 3.594 3.505 3.639 . 0 0 "[ . 1 . ]" 1
251 1 21 TYR HB2 1 22 GLY H . . 4.000 2.456 1.881 3.114 . 0 0 "[ . 1 . ]" 1
252 1 21 TYR HB2 1 29 ILE MD . . 7.000 2.811 2.263 3.499 . 0 0 "[ . 1 . ]" 1
253 1 21 TYR HB3 1 22 GLY H . . 5.500 3.339 2.794 4.053 . 0 0 "[ . 1 . ]" 1
254 1 21 TYR HB3 1 29 ILE MD . . 7.000 3.762 2.430 4.647 . 0 0 "[ . 1 . ]" 1
255 1 21 TYR QD 1 29 ILE HA . . 6.500 3.645 2.602 4.609 . 0 0 "[ . 1 . ]" 1
256 1 21 TYR QD 1 29 ILE MD . . 9.000 3.230 1.965 4.075 . 0 0 "[ . 1 . ]" 1
257 1 21 TYR QD 1 29 ILE QG . . 7.000 2.669 2.132 4.852 . 0 0 "[ . 1 . ]" 1
258 1 21 TYR QD 1 29 ILE MG . . 9.000 3.840 2.381 5.320 . 0 0 "[ . 1 . ]" 1
259 1 21 TYR QD 1 33 TYR QE . . 8.500 3.786 2.699 5.005 . 0 0 "[ . 1 . ]" 1
260 1 21 TYR QE 1 29 ILE HA . . 7.500 3.613 2.526 4.680 . 0 0 "[ . 1 . ]" 1
261 1 21 TYR QE 1 29 ILE MD . . 9.000 4.746 3.171 5.709 . 0 0 "[ . 1 . ]" 1
262 1 21 TYR QE 1 29 ILE QG . . 8.500 4.003 2.728 6.019 . 0 0 "[ . 1 . ]" 1
263 1 21 TYR QE 1 32 HIS HB2 . . 7.000 3.482 2.735 5.681 . 0 0 "[ . 1 . ]" 1
264 1 21 TYR QE 1 32 HIS HB3 . . 7.000 3.958 2.714 6.263 . 0 0 "[ . 1 . ]" 1
265 1 21 TYR QE 1 33 TYR QD . . 9.500 3.100 2.273 4.608 . 0 0 "[ . 1 . ]" 1
266 1 21 TYR QE 1 33 TYR QE . . 8.500 2.584 2.193 3.920 . 0 0 "[ . 1 . ]" 1
267 1 22 GLY H 1 23 GLU H . . 5.000 4.175 3.845 4.375 . 0 0 "[ . 1 . ]" 1
268 1 22 GLY H 1 29 ILE MD . . 8.000 3.592 2.866 4.305 . 0 0 "[ . 1 . ]" 1
269 1 22 GLY QA 1 23 GLU H . . 4.000 2.228 2.174 2.333 . 0 0 "[ . 1 . ]" 1
270 1 23 GLU H 1 24 GLY H . . 5.000 4.343 3.498 4.700 . 0 0 "[ . 1 . ]" 1
271 1 23 GLU HA 1 24 GLY H . . 4.000 2.315 2.160 2.658 . 0 0 "[ . 1 . ]" 1
272 1 23 GLU HA 1 25 ASN H . . 5.000 3.853 3.406 4.932 . 0 0 "[ . 1 . ]" 1
273 1 23 GLU HA 1 26 TRP HH2 . . 5.500 3.748 2.771 4.665 . 0 0 "[ . 1 . ]" 1
274 1 23 GLU HA 1 26 TRP HZ3 . . 6.500 4.328 3.326 5.590 . 0 0 "[ . 1 . ]" 1
275 1 23 GLU QB 1 24 GLY H . . 6.500 3.496 2.607 4.071 . 0 0 "[ . 1 . ]" 1
276 1 23 GLU QB 1 47 TRP HE1 . . 7.500 3.162 2.351 4.496 . 0 0 "[ . 1 . ]" 1
277 1 23 GLU QG 1 26 TRP HH2 . . 6.500 3.761 2.185 5.773 . 0 0 "[ . 1 . ]" 1
278 1 23 GLU QG 1 26 TRP HZ2 . . 7.500 4.221 2.343 6.253 . 0 0 "[ . 1 . ]" 1
279 1 23 GLU QG 1 47 TRP HD1 . . 6.500 3.409 2.422 5.081 . 0 0 "[ . 1 . ]" 1
280 1 23 GLU QG 1 47 TRP HE1 . . 6.500 2.796 2.155 3.952 . 0 0 "[ . 1 . ]" 1
281 1 24 GLY H 1 25 ASN H . . 3.000 2.546 1.850 3.169 0.169 14 0 "[ . 1 . ]" 1
282 1 24 GLY H 1 26 TRP HE1 . . 6.500 4.275 2.580 5.631 . 0 0 "[ . 1 . ]" 1
283 1 24 GLY H 1 26 TRP HH2 . . 5.500 4.213 3.095 5.293 . 0 0 "[ . 1 . ]" 1
284 1 24 GLY H 1 26 TRP HZ2 . . 4.500 3.734 2.660 4.521 0.021 1 0 "[ . 1 . ]" 1
285 1 24 GLY QA 1 25 ASN H . . 6.000 2.758 2.493 2.974 . 0 0 "[ . 1 . ]" 1
286 1 24 GLY QA 1 26 TRP HE1 . . 6.500 2.943 2.437 3.939 . 0 0 "[ . 1 . ]" 1
287 1 24 GLY QA 1 26 TRP HZ2 . . 7.500 3.668 2.810 4.894 . 0 0 "[ . 1 . ]" 1
288 1 25 ASN H 1 26 TRP H . . 5.000 3.778 2.573 4.660 . 0 0 "[ . 1 . ]" 1
289 1 25 ASN H 1 29 ILE MD . . 8.000 4.092 3.372 5.719 . 0 0 "[ . 1 . ]" 1
290 1 25 ASN HA 1 26 TRP H . . 3.000 2.517 2.169 2.797 . 0 0 "[ . 1 . ]" 1
291 1 25 ASN HA 1 26 TRP HD1 . . 6.500 5.056 4.361 5.724 . 0 0 "[ . 1 . ]" 1
292 1 25 ASN HA 1 28 LYS H . . 5.000 3.966 3.418 4.640 . 0 0 "[ . 1 . ]" 1
293 1 25 ASN QB 1 26 TRP H . . 6.500 3.785 2.913 4.068 . 0 0 "[ . 1 . ]" 1
294 1 26 TRP H 1 27 SER H . . 5.000 2.522 2.000 2.800 . 0 0 "[ . 1 . ]" 1
295 1 26 TRP HA 1 27 SER H . . 5.000 3.577 3.507 3.625 . 0 0 "[ . 1 . ]" 1
296 1 26 TRP HA 1 29 ILE H . . 5.000 3.445 3.157 3.701 . 0 0 "[ . 1 . ]" 1
297 1 26 TRP HA 1 29 ILE HB . . 5.000 2.558 2.161 3.198 . 0 0 "[ . 1 . ]" 1
298 1 26 TRP HA 1 29 ILE MD . . 5.500 2.799 2.179 4.201 . 0 0 "[ . 1 . ]" 1
299 1 26 TRP HA 1 29 ILE QG . . 5.000 3.460 2.412 4.466 . 0 0 "[ . 1 . ]" 1
300 1 26 TRP HA 1 30 LEU H . . 5.000 3.955 3.507 4.253 . 0 0 "[ . 1 . ]" 1
301 1 26 TRP QB 1 40 SER HA . . 6.500 2.524 2.165 3.309 . 0 0 "[ . 1 . ]" 1
302 1 26 TRP QB 1 40 SER QB . . 6.500 3.023 2.115 3.867 . 0 0 "[ . 1 . ]" 1
303 1 26 TRP HB3 1 27 SER H . . 5.500 3.800 3.398 4.158 . 0 0 "[ . 1 . ]" 1
304 1 26 TRP HD1 1 40 SER HA . . 5.000 4.102 2.683 5.019 0.019 3 0 "[ . 1 . ]" 1
305 1 26 TRP HD1 1 40 SER QB . . 6.500 3.191 2.300 4.250 . 0 0 "[ . 1 . ]" 1
306 1 26 TRP HD1 1 44 LYS QG . . 6.500 5.150 3.389 5.817 . 0 0 "[ . 1 . ]" 1
307 1 26 TRP HE1 1 44 LYS QD . . 6.500 3.451 2.118 5.453 . 0 0 "[ . 1 . ]" 1
308 1 26 TRP HE1 1 44 LYS QG . . 6.500 3.395 2.045 5.251 . 0 0 "[ . 1 . ]" 1
309 1 26 TRP HE3 1 29 ILE HB . . 5.500 3.799 2.819 4.851 . 0 0 "[ . 1 . ]" 1
310 1 26 TRP HE3 1 29 ILE MD . . 5.500 3.033 2.321 4.768 . 0 0 "[ . 1 . ]" 1
311 1 26 TRP HE3 1 29 ILE MG . . 7.000 3.773 2.627 5.081 . 0 0 "[ . 1 . ]" 1
312 1 26 TRP HE3 1 43 LEU QB . . 5.500 2.598 2.239 3.173 . 0 0 "[ . 1 . ]" 1
313 1 26 TRP HE3 1 43 LEU MD1 . . 6.000 3.324 2.303 4.820 . 0 0 "[ . 1 . ]" 1
314 1 26 TRP HE3 1 43 LEU MD2 . . 6.000 3.303 2.557 4.999 . 0 0 "[ . 1 . ]" 1
315 1 26 TRP HH2 1 47 TRP H . . 6.500 4.957 4.155 6.214 . 0 0 "[ . 1 . ]" 1
316 1 26 TRP HH2 1 47 TRP QB . . 5.500 2.767 2.215 3.760 . 0 0 "[ . 1 . ]" 1
317 1 26 TRP HH2 1 47 TRP HD1 . . 4.500 2.689 2.178 3.507 . 0 0 "[ . 1 . ]" 1
318 1 26 TRP HH2 1 47 TRP HE1 . . 6.500 4.436 3.622 5.366 . 0 0 "[ . 1 . ]" 1
319 1 26 TRP HZ2 1 44 LYS HA . . 5.500 3.036 2.191 4.247 . 0 0 "[ . 1 . ]" 1
320 1 26 TRP HZ2 1 44 LYS QD . . 6.500 3.964 2.201 4.975 . 0 0 "[ . 1 . ]" 1
321 1 26 TRP HZ2 1 47 TRP QB . . 6.500 4.306 3.367 5.433 . 0 0 "[ . 1 . ]" 1
322 1 26 TRP HZ2 1 47 TRP HD1 . . 5.500 4.014 3.085 4.708 . 0 0 "[ . 1 . ]" 1
323 1 26 TRP HZ3 1 29 ILE MD . . 6.000 3.608 2.589 5.322 . 0 0 "[ . 1 . ]" 1
324 1 26 TRP HZ3 1 43 LEU HB3 . . 4.500 3.196 2.407 4.503 0.003 4 0 "[ . 1 . ]" 1
325 1 26 TRP HZ3 1 44 LYS HA . . 6.500 4.231 2.819 5.691 . 0 0 "[ . 1 . ]" 1
326 1 26 TRP HZ3 1 47 TRP QB . . 5.500 3.313 2.746 4.026 . 0 0 "[ . 1 . ]" 1
327 1 26 TRP HZ3 1 47 TRP HD1 . . 6.500 4.593 3.085 5.792 . 0 0 "[ . 1 . ]" 1
328 1 27 SER H 1 28 LYS H . . 5.000 2.820 2.699 2.984 . 0 0 "[ . 1 . ]" 1
329 1 27 SER HA 1 28 LYS H . . 5.000 3.607 3.564 3.637 . 0 0 "[ . 1 . ]" 1
330 1 27 SER HA 1 30 LEU H . . 5.000 3.703 3.353 4.274 . 0 0 "[ . 1 . ]" 1
331 1 27 SER HA 1 30 LEU QB . . 6.000 2.973 2.313 4.682 . 0 0 "[ . 1 . ]" 1
332 1 28 LYS H 1 29 ILE H . . 4.000 2.716 2.446 2.891 . 0 0 "[ . 1 . ]" 1
333 1 28 LYS H 1 30 LEU H . . 5.000 4.268 4.014 4.477 . 0 0 "[ . 1 . ]" 1
334 1 28 LYS H 1 31 LEU QD . . 10.400 4.890 3.824 5.823 . 0 0 "[ . 1 . ]" 1
335 1 28 LYS HA 1 29 ILE H . . 5.000 3.603 3.584 3.615 . 0 0 "[ . 1 . ]" 1
336 1 28 LYS HA 1 30 LEU H . . 5.000 4.537 4.061 4.924 . 0 0 "[ . 1 . ]" 1
337 1 28 LYS HA 1 31 LEU H . . 5.000 3.444 3.257 3.667 . 0 0 "[ . 1 . ]" 1
338 1 28 LYS HA 1 31 LEU HB3 . . 5.000 3.767 2.659 4.863 . 0 0 "[ . 1 . ]" 1
339 1 28 LYS HA 1 32 HIS HD2 . . 5.500 3.959 2.200 4.578 . 0 0 "[ . 1 . ]" 1
340 1 28 LYS QB 1 29 ILE H . . 6.500 2.561 2.343 3.597 . 0 0 "[ . 1 . ]" 1
341 1 28 LYS QB 1 32 HIS HD2 . . 5.500 3.543 2.291 4.867 . 0 0 "[ . 1 . ]" 1
342 1 28 LYS QG 1 32 HIS HD2 . . 6.500 3.342 2.155 5.456 . 0 0 "[ . 1 . ]" 1
343 1 29 ILE H 1 30 LEU H . . 3.000 2.806 2.665 2.958 . 0 0 "[ . 1 . ]" 1
344 1 29 ILE HA 1 30 LEU H . . 5.000 3.604 3.564 3.638 . 0 0 "[ . 1 . ]" 1
345 1 29 ILE HA 1 32 HIS H . . 4.000 3.644 3.274 4.025 0.025 7 0 "[ . 1 . ]" 1
346 1 29 ILE HA 1 32 HIS HD2 . . 5.500 3.515 2.465 5.184 . 0 0 "[ . 1 . ]" 1
347 1 29 ILE HA 1 33 TYR QD . . 6.500 3.505 2.775 4.642 . 0 0 "[ . 1 . ]" 1
348 1 29 ILE HA 1 33 TYR QE . . 7.500 4.949 3.385 6.352 . 0 0 "[ . 1 . ]" 1
349 1 29 ILE HB 1 30 LEU H . . 5.500 2.616 2.384 3.463 . 0 0 "[ . 1 . ]" 1
350 1 29 ILE MD 1 33 TYR QE . . 10.000 5.248 2.693 6.587 . 0 0 "[ . 1 . ]" 1
351 1 29 ILE QG 1 33 TYR QD . . 9.500 4.268 3.510 4.927 . 0 0 "[ . 1 . ]" 1
352 1 29 ILE QG 1 33 TYR QE . . 8.500 4.983 3.708 5.830 . 0 0 "[ . 1 . ]" 1
353 1 29 ILE MG 1 33 TYR H . . 8.000 3.735 3.174 4.910 . 0 0 "[ . 1 . ]" 1
354 1 29 ILE MG 1 33 TYR QD . . 7.500 2.873 2.183 4.293 . 0 0 "[ . 1 . ]" 1
355 1 29 ILE MG 1 33 TYR QE . . 8.000 4.298 3.211 5.717 . 0 0 "[ . 1 . ]" 1
356 1 29 ILE MG 1 35 PHE QE . . 7.500 2.238 2.019 2.744 . 0 0 "[ . 1 . ]" 1
357 1 29 ILE MG 1 35 PHE HZ . . 5.500 3.181 2.257 4.583 . 0 0 "[ . 1 . ]" 1
358 1 30 LEU H 1 31 LEU H . . 3.000 2.721 2.609 2.812 . 0 0 "[ . 1 . ]" 1
359 1 30 LEU H 1 43 LEU MD1 . . 7.000 4.358 3.348 5.396 . 0 0 "[ . 1 . ]" 1
360 1 30 LEU H 1 43 LEU MD2 . . 7.000 4.844 3.608 5.712 . 0 0 "[ . 1 . ]" 1
361 1 30 LEU HA 1 33 TYR H . . 5.000 4.139 3.490 4.602 . 0 0 "[ . 1 . ]" 1
362 1 30 LEU HA 1 35 PHE QD . . 6.500 2.621 2.208 3.663 . 0 0 "[ . 1 . ]" 1
363 1 30 LEU HA 1 35 PHE QE . . 6.000 3.652 2.441 5.328 . 0 0 "[ . 1 . ]" 1
364 1 30 LEU QB 1 31 LEU H . . 5.500 2.770 2.309 3.768 . 0 0 "[ . 1 . ]" 1
365 1 30 LEU QB 1 35 PHE QD . . 7.500 4.132 2.760 5.217 . 0 0 "[ . 1 . ]" 1
366 1 30 LEU QD 1 35 PHE HB2 . . 9.400 2.609 2.043 5.175 . 0 0 "[ . 1 . ]" 1
367 1 30 LEU QD 1 35 PHE HB3 . . 10.400 3.334 2.068 6.399 . 0 0 "[ . 1 . ]" 1
368 1 30 LEU QD 1 35 PHE QD . . 10.400 2.760 2.036 3.861 . 0 0 "[ . 1 . ]" 1
369 1 30 LEU QD 1 35 PHE QE . . 11.400 4.029 2.509 5.208 . 0 0 "[ . 1 . ]" 1
370 1 30 LEU QD 1 38 ARG H . . 10.400 3.389 2.162 5.475 . 0 0 "[ . 1 . ]" 1
371 1 30 LEU QD 1 39 THR HA . . 9.400 3.308 2.200 4.609 . 0 0 "[ . 1 . ]" 1
372 1 30 LEU QD 1 40 SER H . . 9.400 4.382 2.369 5.444 . 0 0 "[ . 1 . ]" 1
373 1 30 LEU QD 1 43 LEU HA . . 9.400 6.037 5.210 6.972 . 0 0 "[ . 1 . ]" 1
374 1 30 LEU QD 1 43 LEU MD1 . . 10.900 2.382 1.881 3.189 . 0 0 "[ . 1 . ]" 1
375 1 30 LEU QD 1 43 LEU MD2 . . 10.900 3.194 2.237 4.334 . 0 0 "[ . 1 . ]" 1
376 1 31 LEU H 1 32 HIS H . . 3.000 2.700 2.446 3.048 0.048 7 0 "[ . 1 . ]" 1
377 1 31 LEU HA 1 32 HIS H . . 4.000 3.568 3.139 3.646 . 0 0 "[ . 1 . ]" 1
378 1 31 LEU HB2 1 32 HIS H . . 5.500 3.215 2.354 4.506 . 0 0 "[ . 1 . ]" 1
379 1 31 LEU HB2 1 32 HIS HD2 . . 5.500 4.617 2.544 5.520 0.020 13 0 "[ . 1 . ]" 1
380 1 31 LEU HB2 1 32 HIS HE1 . . 6.500 5.706 4.750 6.519 0.019 18 0 "[ . 1 . ]" 1
381 1 31 LEU HB3 1 32 HIS H . . 5.500 3.141 2.408 4.059 . 0 0 "[ . 1 . ]" 1
382 1 31 LEU HB3 1 32 HIS HD2 . . 5.500 4.476 2.501 5.522 0.022 16 0 "[ . 1 . ]" 1
383 1 31 LEU HB3 1 32 HIS HE1 . . 6.500 4.820 3.720 6.504 0.004 18 0 "[ . 1 . ]" 1
384 1 31 LEU QD 1 32 HIS H . . 9.400 3.938 3.224 4.567 . 0 0 "[ . 1 . ]" 1
385 1 31 LEU QD 1 32 HIS HD2 . . 9.400 4.937 4.052 5.822 . 0 0 "[ . 1 . ]" 1
386 1 31 LEU QD 1 32 HIS HE1 . . 9.400 4.623 2.797 6.960 . 0 0 "[ . 1 . ]" 1
387 1 31 LEU HG 1 32 HIS H . . 6.500 4.793 4.120 5.728 . 0 0 "[ . 1 . ]" 1
388 1 32 HIS H 1 33 TYR H . . 3.000 2.683 2.211 3.082 0.082 3 0 "[ . 1 . ]" 1
389 1 32 HIS H 1 33 TYR QD . . 6.500 4.753 3.721 5.482 . 0 0 "[ . 1 . ]" 1
390 1 32 HIS HA 1 33 TYR H . . 5.000 3.525 2.601 3.636 . 0 0 "[ . 1 . ]" 1
391 1 32 HIS QB 1 33 TYR H . . 5.500 2.440 2.031 4.042 . 0 0 "[ . 1 . ]" 1
392 1 32 HIS QB 1 33 TYR QD . . 8.500 3.030 2.292 4.861 . 0 0 "[ . 1 . ]" 1
393 1 32 HIS QB 1 33 TYR QE . . 8.500 4.025 2.837 6.747 . 0 0 "[ . 1 . ]" 1
394 1 32 HIS HD2 1 33 TYR H . . 5.000 4.678 4.202 5.047 0.047 15 0 "[ . 1 . ]" 1
395 1 32 HIS HD2 1 33 TYR QD . . 7.000 5.071 4.140 6.245 . 0 0 "[ . 1 . ]" 1
396 1 33 TYR HA 1 34 LYS H . . 3.000 2.416 2.167 3.018 0.018 15 0 "[ . 1 . ]" 1
397 1 33 TYR QB 1 34 LYS H . . 5.000 3.076 1.849 4.027 . 0 0 "[ . 1 . ]" 1
398 1 33 TYR QB 1 35 PHE QE . . 7.500 2.612 1.967 3.596 . 0 0 "[ . 1 . ]" 1
399 1 33 TYR QB 1 35 PHE HZ . . 6.500 3.862 3.000 5.583 . 0 0 "[ . 1 . ]" 1
400 1 34 LYS H 1 35 PHE H . . 5.000 4.304 3.411 4.665 . 0 0 "[ . 1 . ]" 1
401 1 34 LYS HA 1 35 PHE H . . 3.000 2.388 2.168 3.254 0.254 13 0 "[ . 1 . ]" 1
402 1 34 LYS QB 1 35 PHE H . . 5.000 3.257 1.772 4.058 . 0 0 "[ . 1 . ]" 1
403 1 34 LYS QD 1 35 PHE H . . 6.500 4.336 2.015 5.825 . 0 0 "[ . 1 . ]" 1
404 1 34 LYS QG 1 35 PHE H . . 6.500 3.484 1.860 4.736 . 0 0 "[ . 1 . ]" 1
405 1 35 PHE H 1 36 ASN H . . 5.000 4.373 3.221 4.674 . 0 0 "[ . 1 . ]" 1
406 1 35 PHE HA 1 36 ASN H . . 3.000 2.477 2.161 2.737 . 0 0 "[ . 1 . ]" 1
407 1 35 PHE QB 1 38 ARG H . . 5.500 3.343 2.655 4.379 . 0 0 "[ . 1 . ]" 1
408 1 35 PHE HB2 1 36 ASN H . . 5.000 3.715 2.948 4.505 . 0 0 "[ . 1 . ]" 1
409 1 35 PHE HB2 1 38 ARG HB2 . . 5.500 3.429 2.157 4.791 . 0 0 "[ . 1 . ]" 1
410 1 35 PHE HB2 1 38 ARG QG . . 6.500 4.496 2.934 5.801 . 0 0 "[ . 1 . ]" 1
411 1 35 PHE HB3 1 36 ASN H . . 4.000 2.553 2.013 4.034 0.034 12 0 "[ . 1 . ]" 1
412 1 35 PHE HB3 1 38 ARG HB2 . . 4.000 2.674 2.129 3.621 . 0 0 "[ . 1 . ]" 1
413 1 35 PHE HB3 1 38 ARG QG . . 6.500 3.341 2.067 4.537 . 0 0 "[ . 1 . ]" 1
414 1 35 PHE QD 1 36 ASN H . . 6.500 3.494 2.185 4.381 . 0 0 "[ . 1 . ]" 1
415 1 35 PHE QD 1 38 ARG H . . 8.500 5.037 4.216 6.343 . 0 0 "[ . 1 . ]" 1
416 1 35 PHE QD 1 38 ARG HB3 . . 7.500 4.200 2.937 5.869 . 0 0 "[ . 1 . ]" 1
417 1 35 PHE QD 1 38 ARG QG . . 7.500 3.228 2.219 5.217 . 0 0 "[ . 1 . ]" 1
418 1 35 PHE QD 1 43 LEU MD1 . . 9.000 3.892 2.647 4.746 . 0 0 "[ . 1 . ]" 1
419 1 35 PHE QD 1 43 LEU MD2 . . 8.000 3.202 2.752 3.823 . 0 0 "[ . 1 . ]" 1
420 1 35 PHE QE 1 43 LEU MD1 . . 8.500 4.130 2.455 5.056 . 0 0 "[ . 1 . ]" 1
421 1 35 PHE QE 1 43 LEU MD2 . . 7.500 2.954 2.615 3.556 . 0 0 "[ . 1 . ]" 1
422 1 35 PHE HZ 1 43 LEU MD1 . . 7.000 5.083 3.741 5.832 . 0 0 "[ . 1 . ]" 1
423 1 35 PHE HZ 1 43 LEU MD2 . . 6.500 3.373 2.732 4.318 . 0 0 "[ . 1 . ]" 1
424 1 36 ASN H 1 38 ARG H . . 4.000 3.944 3.567 4.059 0.059 15 0 "[ . 1 . ]" 1
425 1 36 ASN H 1 38 ARG HB2 . . 4.500 3.900 2.996 4.566 0.066 8 0 "[ . 1 . ]" 1
426 1 36 ASN H 1 38 ARG QG . . 6.500 3.806 2.566 5.475 . 0 0 "[ . 1 . ]" 1
427 1 37 ASN H 1 38 ARG H . . 4.000 3.213 2.561 3.760 . 0 0 "[ . 1 . ]" 1
428 1 37 ASN HA 1 38 ARG H . . 3.000 2.663 2.503 3.014 0.014 16 0 "[ . 1 . ]" 1
429 1 37 ASN QB 1 38 ARG H . . 5.500 4.002 3.811 4.102 . 0 0 "[ . 1 . ]" 1
430 1 38 ARG H 1 39 THR H . . 5.000 4.338 3.817 4.634 . 0 0 "[ . 1 . ]" 1
431 1 38 ARG HA 1 39 THR H . . 3.000 2.353 2.153 2.906 . 0 0 "[ . 1 . ]" 1
432 1 38 ARG HB2 1 39 THR H . . 5.500 4.142 2.836 4.720 . 0 0 "[ . 1 . ]" 1
433 1 38 ARG HB3 1 39 THR H . . 4.500 3.289 1.999 4.284 . 0 0 "[ . 1 . ]" 1
434 1 38 ARG QD 1 39 THR H . . 7.500 4.345 3.285 5.708 . 0 0 "[ . 1 . ]" 1
435 1 38 ARG QD 1 42 MET QB . . 5.000 3.236 2.145 4.007 . 0 0 "[ . 1 . ]" 1
436 1 38 ARG QG 1 39 THR H . . 6.500 3.919 2.462 4.888 . 0 0 "[ . 1 . ]" 1
437 1 39 THR H 1 42 MET H . . 5.000 3.606 3.233 4.049 . 0 0 "[ . 1 . ]" 1
438 1 39 THR H 1 42 MET HA . . 5.500 5.304 4.780 5.522 0.022 10 0 "[ . 1 . ]" 1
439 1 39 THR H 1 42 MET QB . . 5.000 2.473 1.980 2.959 . 0 0 "[ . 1 . ]" 1
440 1 39 THR H 1 42 MET QG . . 5.500 3.206 2.351 4.003 . 0 0 "[ . 1 . ]" 1
441 1 39 THR H 1 43 LEU H . . 5.000 4.120 3.424 5.005 0.005 4 0 "[ . 1 . ]" 1
442 1 39 THR HA 1 40 SER H . . 4.000 2.800 2.183 3.633 . 0 0 "[ . 1 . ]" 1
443 1 39 THR MG 1 40 SER H . . 7.000 3.039 1.882 4.290 . 0 0 "[ . 1 . ]" 1
444 1 40 SER H 1 41 VAL H . . 5.000 2.938 2.127 4.381 . 0 0 "[ . 1 . ]" 1
445 1 40 SER HA 1 41 VAL H . . 5.000 3.596 3.471 3.626 . 0 0 "[ . 1 . ]" 1
446 1 40 SER HA 1 42 MET H . . 5.000 4.491 4.253 4.743 . 0 0 "[ . 1 . ]" 1
447 1 40 SER HA 1 43 LEU H . . 5.000 3.691 3.457 4.428 . 0 0 "[ . 1 . ]" 1
448 1 40 SER HA 1 44 LYS H . . 5.000 4.071 3.968 4.343 . 0 0 "[ . 1 . ]" 1
449 1 40 SER QB 1 41 VAL H . . 6.500 2.674 1.820 3.455 . 0 0 "[ . 1 . ]" 1
450 1 41 VAL H 1 42 MET H . . 5.000 2.775 2.648 2.978 . 0 0 "[ . 1 . ]" 1
451 1 41 VAL HA 1 42 MET H . . 5.000 3.590 3.557 3.617 . 0 0 "[ . 1 . ]" 1
452 1 41 VAL HA 1 43 LEU H . . 5.000 4.596 4.155 4.836 . 0 0 "[ . 1 . ]" 1
453 1 41 VAL HA 1 44 LYS H . . 4.000 3.518 3.188 3.856 . 0 0 "[ . 1 . ]" 1
454 1 41 VAL HA 1 44 LYS QB . . 5.000 2.610 2.234 4.267 . 0 0 "[ . 1 . ]" 1
455 1 41 VAL HA 1 45 ASP H . . 5.000 3.788 3.570 4.024 . 0 0 "[ . 1 . ]" 1
456 1 41 VAL HB 1 42 MET H . . 4.500 3.410 2.396 4.033 . 0 0 "[ . 1 . ]" 1
457 1 41 VAL MG1 1 42 MET H . . 7.000 3.138 2.043 4.008 . 0 0 "[ . 1 . ]" 1
458 1 41 VAL MG1 1 42 MET QB . . 9.000 4.537 3.025 5.666 . 0 0 "[ . 1 . ]" 1
459 1 41 VAL MG1 1 42 MET QG . . 8.000 3.915 2.324 5.640 . 0 0 "[ . 1 . ]" 1
460 1 41 VAL MG1 1 45 ASP H . . 8.000 4.605 3.439 5.514 . 0 0 "[ . 1 . ]" 1
461 1 41 VAL MG2 1 42 MET H . . 7.000 3.336 2.127 3.902 . 0 0 "[ . 1 . ]" 1
462 1 41 VAL MG2 1 42 MET QB . . 9.000 4.767 3.551 5.517 . 0 0 "[ . 1 . ]" 1
463 1 41 VAL MG2 1 42 MET QG . . 8.000 4.117 2.276 5.740 . 0 0 "[ . 1 . ]" 1
464 1 41 VAL MG2 1 45 ASP H . . 8.000 4.760 3.697 5.648 . 0 0 "[ . 1 . ]" 1
465 1 42 MET H 1 43 LEU H . . 4.000 2.737 2.621 2.864 . 0 0 "[ . 1 . ]" 1
466 1 42 MET H 1 43 LEU QD . . 10.400 4.231 3.383 4.699 . 0 0 "[ . 1 . ]" 1
467 1 42 MET HA 1 43 LEU H . . 4.000 3.603 3.585 3.611 . 0 0 "[ . 1 . ]" 1
468 1 42 MET HA 1 45 ASP H . . 5.000 3.742 3.369 4.230 . 0 0 "[ . 1 . ]" 1
469 1 42 MET HA 1 46 ARG H . . 5.000 3.945 3.677 4.497 . 0 0 "[ . 1 . ]" 1
470 1 42 MET QB 1 43 LEU H . . 5.500 2.483 2.217 2.693 . 0 0 "[ . 1 . ]" 1
471 1 43 LEU H 1 44 LYS H . . 5.000 2.715 2.469 2.922 . 0 0 "[ . 1 . ]" 1
472 1 43 LEU HA 1 44 LYS H . . 5.000 3.597 3.574 3.639 . 0 0 "[ . 1 . ]" 1
473 1 43 LEU HA 1 46 ARG H . . 5.000 3.818 3.473 4.048 . 0 0 "[ . 1 . ]" 1
474 1 43 LEU HA 1 47 TRP H . . 5.000 3.954 3.652 4.355 . 0 0 "[ . 1 . ]" 1
475 1 43 LEU HB2 1 44 LYS H . . 4.000 2.550 2.421 2.743 . 0 0 "[ . 1 . ]" 1
476 1 43 LEU HB3 1 44 LYS H . . 5.500 3.515 3.099 3.784 . 0 0 "[ . 1 . ]" 1
477 1 43 LEU QD 1 44 LYS H . . 10.400 3.869 3.566 4.047 . 0 0 "[ . 1 . ]" 1
478 1 43 LEU HG 1 44 LYS H . . 5.500 4.509 4.073 4.960 . 0 0 "[ . 1 . ]" 1
479 1 44 LYS H 1 45 ASP H . . 3.000 2.838 2.652 3.019 0.019 9 0 "[ . 1 . ]" 1
480 1 44 LYS H 1 46 ARG H . . 5.000 4.370 4.103 4.695 . 0 0 "[ . 1 . ]" 1
481 1 44 LYS HA 1 45 ASP H . . 5.000 3.610 3.571 3.625 . 0 0 "[ . 1 . ]" 1
482 1 44 LYS HA 1 47 TRP H . . 5.000 3.746 3.315 4.023 . 0 0 "[ . 1 . ]" 1
483 1 44 LYS HA 1 47 TRP QB . . 6.500 2.853 2.485 3.450 . 0 0 "[ . 1 . ]" 1
484 1 44 LYS QB 1 45 ASP H . . 5.000 2.415 2.094 3.588 . 0 0 "[ . 1 . ]" 1
485 1 44 LYS QD 1 45 ASP H . . 6.500 4.376 2.924 5.169 . 0 0 "[ . 1 . ]" 1
486 1 44 LYS QG 1 45 ASP H . . 5.500 3.624 2.278 4.159 . 0 0 "[ . 1 . ]" 1
487 1 45 ASP H 1 46 ARG H . . 5.000 2.835 2.712 3.015 . 0 0 "[ . 1 . ]" 1
488 1 45 ASP H 1 47 TRP H . . 5.000 4.284 4.102 4.744 . 0 0 "[ . 1 . ]" 1
489 1 45 ASP HA 1 46 ARG H . . 5.000 3.611 3.574 3.639 . 0 0 "[ . 1 . ]" 1
490 1 45 ASP HA 1 47 TRP H . . 5.000 4.604 3.959 4.969 . 0 0 "[ . 1 . ]" 1
491 1 45 ASP HA 1 48 ARG H . . 4.000 3.676 3.246 4.033 0.033 9 0 "[ . 1 . ]" 1
492 1 45 ASP HA 1 48 ARG QB . . 6.000 3.060 2.288 4.817 . 0 0 "[ . 1 . ]" 1
493 1 45 ASP QB 1 46 ARG H . . 6.500 2.461 2.235 2.704 . 0 0 "[ . 1 . ]" 1
494 1 45 ASP QB 1 46 ARG HA . . 5.500 4.117 3.808 4.278 . 0 0 "[ . 1 . ]" 1
495 1 46 ARG H 1 47 TRP H . . 3.000 2.763 2.462 2.934 . 0 0 "[ . 1 . ]" 1
496 1 46 ARG H 1 47 TRP QB . . 8.000 4.482 4.159 4.645 . 0 0 "[ . 1 . ]" 1
497 1 46 ARG H 1 48 ARG H . . 5.000 4.275 4.004 5.011 0.011 9 0 "[ . 1 . ]" 1
498 1 46 ARG HA 1 47 TRP H . . 5.000 3.604 3.524 3.639 . 0 0 "[ . 1 . ]" 1
499 1 46 ARG HA 1 49 THR H . . 5.000 3.726 3.382 4.083 . 0 0 "[ . 1 . ]" 1
500 1 46 ARG HA 1 50 MET H . . 5.000 4.233 3.731 5.018 0.018 5 0 "[ . 1 . ]" 1
501 1 46 ARG QB 1 47 TRP H . . 5.500 2.584 2.367 3.106 . 0 0 "[ . 1 . ]" 1
502 1 46 ARG QG 1 47 TRP H . . 6.500 3.935 2.915 4.480 . 0 0 "[ . 1 . ]" 1
503 1 47 TRP H 1 47 TRP HD1 . . 5.500 4.967 4.770 5.172 . 0 0 "[ . 1 . ]" 1
504 1 47 TRP H 1 48 ARG H . . 3.000 2.750 2.574 2.908 . 0 0 "[ . 1 . ]" 1
505 1 47 TRP HA 1 48 ARG H . . 5.000 3.595 3.547 3.639 . 0 0 "[ . 1 . ]" 1
506 1 47 TRP HA 1 50 MET H . . 5.000 3.453 3.118 3.792 . 0 0 "[ . 1 . ]" 1
507 1 47 TRP HA 1 50 MET QB . . 5.000 2.573 2.102 4.215 . 0 0 "[ . 1 . ]" 1
508 1 47 TRP HA 1 50 MET QG . . 6.000 3.936 2.218 5.130 . 0 0 "[ . 1 . ]" 1
509 1 47 TRP HA 1 51 LYS H . . 5.000 3.977 3.398 4.619 . 0 0 "[ . 1 . ]" 1
510 1 47 TRP QB 1 48 ARG H . . 5.500 2.587 2.316 2.952 . 0 0 "[ . 1 . ]" 1
511 1 47 TRP HD1 1 48 ARG HA . . 5.500 4.257 3.889 4.613 . 0 0 "[ . 1 . ]" 1
512 1 47 TRP HD1 1 51 LYS QB . . 7.500 4.741 4.057 5.746 . 0 0 "[ . 1 . ]" 1
513 1 47 TRP HD1 1 51 LYS QD . . 7.500 4.538 2.732 6.229 . 0 0 "[ . 1 . ]" 1
514 1 47 TRP HD1 1 51 LYS QG . . 6.500 4.905 3.865 5.808 . 0 0 "[ . 1 . ]" 1
515 1 47 TRP HE1 1 51 LYS QD . . 6.500 3.367 2.364 5.048 . 0 0 "[ . 1 . ]" 1
516 1 47 TRP HE3 1 50 MET QB . . 6.500 3.110 2.265 4.902 . 0 0 "[ . 1 . ]" 1
517 1 47 TRP HZ2 1 51 LYS QB . . 6.500 4.662 3.287 5.605 . 0 0 "[ . 1 . ]" 1
518 1 47 TRP HZ2 1 51 LYS QD . . 6.500 3.523 2.564 5.789 . 0 0 "[ . 1 . ]" 1
519 1 47 TRP HZ2 1 51 LYS QG . . 6.500 3.986 2.725 5.562 . 0 0 "[ . 1 . ]" 1
520 1 48 ARG H 1 49 THR H . . 5.000 2.851 2.728 2.997 . 0 0 "[ . 1 . ]" 1
521 1 48 ARG H 1 50 MET H . . 5.000 4.216 3.828 4.722 . 0 0 "[ . 1 . ]" 1
522 1 48 ARG HA 1 49 THR H . . 4.000 3.607 3.543 3.649 . 0 0 "[ . 1 . ]" 1
523 1 48 ARG HA 1 51 LYS H . . 5.000 3.735 2.993 5.008 0.008 10 0 "[ . 1 . ]" 1
524 1 48 ARG HA 1 51 LYS QB . . 6.000 3.062 2.163 4.528 . 0 0 "[ . 1 . ]" 1
525 1 48 ARG QB 1 49 THR H . . 6.500 2.659 2.262 3.745 . 0 0 "[ . 1 . ]" 1
526 1 49 THR H 1 50 MET H . . 3.000 2.638 2.358 2.813 . 0 0 "[ . 1 . ]" 1
527 1 49 THR HA 1 50 MET H . . 4.000 3.571 3.192 3.647 . 0 0 "[ . 1 . ]" 1
528 1 49 THR HA 1 51 LYS H . . 5.000 4.243 3.550 4.709 . 0 0 "[ . 1 . ]" 1
529 1 49 THR HA 1 52 LYS H . . 5.000 4.099 3.423 5.025 0.025 14 0 "[ . 1 . ]" 1
530 1 49 THR MG 1 50 MET H . . 7.000 3.106 2.056 4.318 . 0 0 "[ . 1 . ]" 1
531 1 50 MET H 1 51 LYS H . . 4.000 2.649 1.891 3.211 . 0 0 "[ . 1 . ]" 1
532 1 50 MET HA 1 51 LYS H . . 5.000 3.523 2.857 3.620 . 0 0 "[ . 1 . ]" 1
533 1 50 MET HA 1 52 LYS H . . 5.000 4.043 3.210 5.000 0.000 5 0 "[ . 1 . ]" 1
534 1 50 MET HA 1 53 LEU H . . 5.000 3.992 2.841 5.124 0.124 18 0 "[ . 1 . ]" 1
535 1 50 MET QB 1 51 LYS H . . 5.000 2.890 2.464 3.930 . 0 0 "[ . 1 . ]" 1
536 1 50 MET QG 1 51 LYS H . . 7.500 4.174 2.394 4.715 . 0 0 "[ . 1 . ]" 1
537 1 51 LYS H 1 52 LYS H . . 4.000 2.851 2.266 3.508 . 0 0 "[ . 1 . ]" 1
538 1 51 LYS HA 1 52 LYS H . . 4.000 3.361 2.618 3.635 . 0 0 "[ . 1 . ]" 1
539 1 51 LYS HA 1 53 LEU H . . 5.000 4.592 3.543 5.099 0.099 10 0 "[ . 1 . ]" 1
540 1 51 LYS QB 1 52 LYS H . . 5.500 3.082 2.305 4.024 . 0 0 "[ . 1 . ]" 1
541 1 52 LYS HA 1 53 LEU H . . 4.000 3.182 2.368 3.618 . 0 0 "[ . 1 . ]" 1
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