NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
595116 |
2mvt   |
25283 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mvt
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 711
_Distance_constraint_stats_list.Viol_count 308
_Distance_constraint_stats_list.Viol_total 132.270
_Distance_constraint_stats_list.Viol_max 0.168
_Distance_constraint_stats_list.Viol_rms 0.0052
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.0215
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 ASP 0.225 0.070 7 0 "[ . 1 . 2]"
1 3 ASP 0.040 0.009 2 0 "[ . 1 . 2]"
1 4 LYS 0.205 0.043 16 0 "[ . 1 . 2]"
1 5 CYS 0.285 0.070 7 0 "[ . 1 . 2]"
1 6 GLU 0.019 0.009 2 0 "[ . 1 . 2]"
1 7 ASP 0.110 0.038 9 0 "[ . 1 . 2]"
1 8 SER 0.075 0.041 19 0 "[ . 1 . 2]"
1 9 LEU 0.103 0.020 17 0 "[ . 1 . 2]"
1 10 ARG 0.254 0.033 9 0 "[ . 1 . 2]"
1 11 ARG 0.118 0.031 17 0 "[ . 1 . 2]"
1 12 GLU 0.075 0.028 17 0 "[ . 1 . 2]"
1 13 ILE 0.112 0.033 9 0 "[ . 1 . 2]"
1 14 ALA 0.264 0.040 20 0 "[ . 1 . 2]"
1 15 CYS 0.154 0.040 20 0 "[ . 1 . 2]"
1 16 THR 0.168 0.067 17 0 "[ . 1 . 2]"
1 17 LYS 0.334 0.067 17 0 "[ . 1 . 2]"
1 18 CYS 0.503 0.050 18 0 "[ . 1 . 2]"
1 19 ARG 0.255 0.047 17 0 "[ . 1 . 2]"
1 20 ASP 0.326 0.041 6 0 "[ . 1 . 2]"
1 21 ARG 0.197 0.050 18 0 "[ . 1 . 2]"
1 22 VAL 0.158 0.041 19 0 "[ . 1 . 2]"
1 23 ARG 0.139 0.050 1 0 "[ . 1 . 2]"
1 24 THR 0.537 0.050 7 0 "[ . 1 . 2]"
1 25 ASP 0.035 0.015 5 0 "[ . 1 . 2]"
1 26 ASP 0.020 0.015 5 0 "[ . 1 . 2]"
1 27 TYR 0.576 0.056 7 0 "[ . 1 . 2]"
1 28 PHE 2.805 0.168 16 0 "[ . 1 . 2]"
1 29 TYR 0.249 0.047 17 0 "[ . 1 . 2]"
1 30 GLU 0.081 0.029 17 0 "[ . 1 . 2]"
1 31 CYS 0.379 0.056 7 0 "[ . 1 . 2]"
1 32 CYS 0.460 0.047 2 0 "[ . 1 . 2]"
1 33 THR 0.256 0.039 3 0 "[ . 1 . 2]"
1 34 SER 0.166 0.032 12 0 "[ . 1 . 2]"
1 35 GLU 0.117 0.032 12 0 "[ . 1 . 2]"
1 36 SER 0.039 0.019 5 0 "[ . 1 . 2]"
1 37 THR 0.008 0.004 18 0 "[ . 1 . 2]"
1 38 PHE 0.138 0.027 17 0 "[ . 1 . 2]"
1 39 LYS 0.006 0.006 19 0 "[ . 1 . 2]"
1 40 LYS 0.035 0.014 19 0 "[ . 1 . 2]"
1 41 CYS 0.046 0.026 12 0 "[ . 1 . 2]"
1 42 GLN 0.118 0.026 12 0 "[ . 1 . 2]"
1 43 THR 0.084 0.023 19 0 "[ . 1 . 2]"
1 44 MET 0.090 0.021 19 0 "[ . 1 . 2]"
1 45 LEU 0.107 0.024 19 0 "[ . 1 . 2]"
1 46 HIS 0.034 0.023 19 0 "[ . 1 . 2]"
1 47 GLN 0.083 0.028 13 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 ALA HA 1 2 ASP H 1.800 . 4.000 2.704 2.154 3.572 . 0 0 "[ . 1 . 2]" 1
2 1 1 ALA MB 1 2 ASP H 1.800 . 4.000 3.109 2.278 3.727 . 0 0 "[ . 1 . 2]" 1
3 1 2 ASP H 1 2 ASP HA 1.800 . 3.000 2.349 2.294 2.858 . 0 0 "[ . 1 . 2]" 1
4 1 2 ASP H 1 2 ASP HB2 1.800 . 4.000 3.602 2.931 3.994 . 0 0 "[ . 1 . 2]" 1
5 1 2 ASP H 1 2 ASP HB3 1.800 . 4.000 3.689 2.933 4.012 0.012 11 0 "[ . 1 . 2]" 1
6 1 2 ASP H 1 3 ASP H 1.800 . 4.000 2.906 2.315 3.322 . 0 0 "[ . 1 . 2]" 1
7 1 2 ASP H 1 7 ASP HA 1.800 . 6.000 5.140 4.228 6.016 0.016 11 0 "[ . 1 . 2]" 1
8 1 2 ASP HA 1 3 ASP H 1.800 . 4.000 2.924 2.500 3.578 . 0 0 "[ . 1 . 2]" 1
9 1 2 ASP HA 1 4 LYS H 1.800 . 5.000 3.845 2.845 4.378 . 0 0 "[ . 1 . 2]" 1
10 1 2 ASP HA 1 5 CYS HA 1.800 . 6.000 5.948 5.797 6.070 0.070 7 0 "[ . 1 . 2]" 1
11 1 2 ASP HA 1 6 GLU H 1.800 . 5.000 3.529 2.569 4.914 . 0 0 "[ . 1 . 2]" 1
12 1 2 ASP QB 1 6 GLU H 1.800 . 6.000 5.234 4.510 5.825 . 0 0 "[ . 1 . 2]" 1
13 1 2 ASP HB2 1 3 ASP H 1.800 . 5.000 4.174 3.291 4.452 . 0 0 "[ . 1 . 2]" 1
14 1 2 ASP HB3 1 3 ASP H 1.800 . 5.000 4.411 3.681 4.682 . 0 0 "[ . 1 . 2]" 1
15 1 3 ASP H 1 3 ASP HA 1.800 . 3.000 2.827 2.328 2.938 . 0 0 "[ . 1 . 2]" 1
16 1 3 ASP H 1 3 ASP HB2 1.800 . 4.000 2.570 2.111 3.581 . 0 0 "[ . 1 . 2]" 1
17 1 3 ASP H 1 3 ASP HB3 1.800 . 4.000 3.152 2.434 3.968 . 0 0 "[ . 1 . 2]" 1
18 1 3 ASP H 1 5 CYS H 1.800 . 6.000 3.852 2.929 5.970 . 0 0 "[ . 1 . 2]" 1
19 1 3 ASP HA 1 4 LYS H 1.800 . 4.000 3.067 2.491 3.574 . 0 0 "[ . 1 . 2]" 1
20 1 3 ASP HA 1 6 GLU H 1.800 . 6.000 5.686 5.206 6.009 0.009 2 0 "[ . 1 . 2]" 1
21 1 3 ASP HA 1 7 ASP H 1.800 . 6.000 5.725 5.151 6.008 0.008 2 0 "[ . 1 . 2]" 1
22 1 3 ASP QB 1 7 ASP H 1.800 . 6.000 5.348 3.371 5.971 . 0 0 "[ . 1 . 2]" 1
23 1 3 ASP HB2 1 4 LYS H 1.800 . 5.000 3.879 2.616 4.666 . 0 0 "[ . 1 . 2]" 1
24 1 3 ASP HB2 1 6 GLU H 1.800 . 6.000 4.928 3.462 5.922 . 0 0 "[ . 1 . 2]" 1
25 1 3 ASP HB3 1 4 LYS H 1.800 . 5.000 3.635 2.067 4.637 . 0 0 "[ . 1 . 2]" 1
26 1 3 ASP HB3 1 6 GLU H 1.800 . 6.000 5.110 3.840 5.980 . 0 0 "[ . 1 . 2]" 1
27 1 4 LYS H 1 4 LYS HA 1.800 . 3.000 2.564 2.293 2.924 . 0 0 "[ . 1 . 2]" 1
28 1 4 LYS H 1 4 LYS HB2 1.800 . 4.000 3.244 2.771 3.679 . 0 0 "[ . 1 . 2]" 1
29 1 4 LYS H 1 4 LYS HB3 1.800 . 4.000 3.690 3.080 4.043 0.043 16 0 "[ . 1 . 2]" 1
30 1 4 LYS HA 1 5 CYS H 1.800 . 4.000 3.195 2.142 3.539 . 0 0 "[ . 1 . 2]" 1
31 1 4 LYS HA 1 7 ASP H 1.800 . 4.500 4.306 3.906 4.538 0.038 9 0 "[ . 1 . 2]" 1
32 1 4 LYS HA 1 8 SER H 1.800 . 6.000 5.035 4.074 6.041 0.041 19 0 "[ . 1 . 2]" 1
33 1 4 LYS HB2 1 5 CYS H 1.800 . 5.000 3.831 2.753 4.616 . 0 0 "[ . 1 . 2]" 1
34 1 4 LYS HB3 1 5 CYS H 1.800 . 5.000 3.659 2.907 4.435 . 0 0 "[ . 1 . 2]" 1
35 1 5 CYS H 1 5 CYS HA 1.800 . 3.000 2.849 2.293 2.961 . 0 0 "[ . 1 . 2]" 1
36 1 5 CYS H 1 5 CYS HB2 1.800 . 4.000 2.945 2.300 3.914 . 0 0 "[ . 1 . 2]" 1
37 1 5 CYS H 1 5 CYS HB3 1.800 . 4.000 3.648 3.231 3.932 . 0 0 "[ . 1 . 2]" 1
38 1 5 CYS H 1 6 GLU H 1.800 . 3.500 2.534 2.020 3.135 . 0 0 "[ . 1 . 2]" 1
39 1 5 CYS H 1 7 ASP H 1.800 . 5.000 3.233 2.780 3.770 . 0 0 "[ . 1 . 2]" 1
40 1 5 CYS H 1 32 CYS HB2 1.800 . 6.000 5.631 4.845 6.014 0.014 13 0 "[ . 1 . 2]" 1
41 1 5 CYS H 1 32 CYS HB3 1.800 . 6.000 5.296 4.652 5.995 . 0 0 "[ . 1 . 2]" 1
42 1 5 CYS HA 1 7 ASP H 1.800 . 5.000 3.849 3.447 4.421 . 0 0 "[ . 1 . 2]" 1
43 1 5 CYS HA 1 8 SER H 1.800 . 4.000 3.672 3.188 4.015 0.015 5 0 "[ . 1 . 2]" 1
44 1 5 CYS HA 1 11 ARG H 1.800 . 6.000 5.292 4.560 6.031 0.031 17 0 "[ . 1 . 2]" 1
45 1 5 CYS HA 1 12 GLU H 1.800 . 5.000 4.649 4.173 5.007 0.007 7 0 "[ . 1 . 2]" 1
46 1 5 CYS HB2 1 7 ASP H 1.800 . 6.000 4.547 4.068 5.484 . 0 0 "[ . 1 . 2]" 1
47 1 5 CYS HB3 1 7 ASP H 1.800 . 6.000 5.129 4.496 5.991 . 0 0 "[ . 1 . 2]" 1
48 1 6 GLU H 1 6 GLU HA 1.800 . 3.000 2.816 2.687 2.955 . 0 0 "[ . 1 . 2]" 1
49 1 6 GLU H 1 6 GLU HB2 1.800 . 4.000 2.297 2.070 2.796 . 0 0 "[ . 1 . 2]" 1
50 1 6 GLU H 1 6 GLU HB3 1.800 . 4.000 3.298 2.398 3.600 . 0 0 "[ . 1 . 2]" 1
51 1 6 GLU H 1 7 ASP H 1.800 . 3.000 2.607 1.935 2.914 . 0 0 "[ . 1 . 2]" 1
52 1 6 GLU H 1 7 ASP QB 1.800 . 6.000 4.434 3.933 5.149 . 0 0 "[ . 1 . 2]" 1
53 1 6 GLU H 1 8 SER H 1.800 . 5.000 4.372 3.105 4.950 . 0 0 "[ . 1 . 2]" 1
54 1 6 GLU HA 1 7 ASP H 1.800 . 4.000 3.410 3.260 3.494 . 0 0 "[ . 1 . 2]" 1
55 1 6 GLU HA 1 8 SER H 1.800 . 5.000 4.247 3.284 4.923 . 0 0 "[ . 1 . 2]" 1
56 1 6 GLU HB2 1 7 ASP H 1.800 . 5.000 3.503 2.919 4.328 . 0 0 "[ . 1 . 2]" 1
57 1 6 GLU HB3 1 7 ASP H 1.800 . 5.000 3.603 3.035 4.115 . 0 0 "[ . 1 . 2]" 1
58 1 7 ASP H 1 7 ASP HA 1.800 . 3.000 2.867 2.788 2.959 . 0 0 "[ . 1 . 2]" 1
59 1 7 ASP H 1 7 ASP HB2 1.800 . 4.000 2.628 2.152 3.642 . 0 0 "[ . 1 . 2]" 1
60 1 7 ASP H 1 7 ASP HB3 1.800 . 4.000 2.810 2.400 3.520 . 0 0 "[ . 1 . 2]" 1
61 1 7 ASP H 1 8 SER H 1.800 . 3.000 2.505 1.835 2.903 . 0 0 "[ . 1 . 2]" 1
62 1 7 ASP H 1 8 SER QB 1.800 . 6.000 4.873 3.748 5.464 . 0 0 "[ . 1 . 2]" 1
63 1 7 ASP HA 1 8 SER H 1.800 . 4.000 3.489 2.994 3.575 . 0 0 "[ . 1 . 2]" 1
64 1 7 ASP HA 1 9 LEU H 1.800 . 6.000 5.531 4.450 6.006 0.006 3 0 "[ . 1 . 2]" 1
65 1 7 ASP HB2 1 8 SER H 1.800 . 5.000 3.694 2.871 4.421 . 0 0 "[ . 1 . 2]" 1
66 1 7 ASP HB3 1 8 SER H 1.800 . 5.000 3.000 2.063 4.187 . 0 0 "[ . 1 . 2]" 1
67 1 8 SER H 1 8 SER HA 1.800 . 3.000 2.939 2.845 2.960 . 0 0 "[ . 1 . 2]" 1
68 1 8 SER H 1 8 SER HB2 1.800 . 4.000 3.129 2.184 3.941 . 0 0 "[ . 1 . 2]" 1
69 1 8 SER H 1 8 SER HB3 1.800 . 4.000 3.475 2.647 3.850 . 0 0 "[ . 1 . 2]" 1
70 1 8 SER H 1 9 LEU H 1.800 . 5.000 4.114 3.388 4.482 . 0 0 "[ . 1 . 2]" 1
71 1 8 SER H 1 11 ARG H 1.800 . 6.000 4.779 4.194 5.719 . 0 0 "[ . 1 . 2]" 1
72 1 8 SER H 1 12 GLU H 1.800 . 5.500 5.083 4.529 5.517 0.017 19 0 "[ . 1 . 2]" 1
73 1 8 SER HA 1 9 LEU H 1.800 . 3.000 2.186 2.147 2.318 . 0 0 "[ . 1 . 2]" 1
74 1 8 SER HA 1 10 ARG H 1.800 . 5.000 3.490 3.096 4.414 . 0 0 "[ . 1 . 2]" 1
75 1 8 SER HA 1 11 ARG H 1.800 . 6.000 4.390 4.099 4.738 . 0 0 "[ . 1 . 2]" 1
76 1 8 SER QB 1 11 ARG H 1.800 . 5.000 2.482 1.908 3.640 . 0 0 "[ . 1 . 2]" 1
77 1 8 SER HB2 1 9 LEU H 1.800 . 5.000 4.080 3.353 4.616 . 0 0 "[ . 1 . 2]" 1
78 1 8 SER HB3 1 9 LEU H 1.800 . 5.000 4.033 3.236 4.506 . 0 0 "[ . 1 . 2]" 1
79 1 9 LEU H 1 9 LEU HA 1.800 . 3.000 2.816 2.721 2.937 . 0 0 "[ . 1 . 2]" 1
80 1 9 LEU H 1 9 LEU HB2 1.800 . 4.000 2.290 2.074 3.590 . 0 0 "[ . 1 . 2]" 1
81 1 9 LEU H 1 9 LEU HB3 1.800 . 4.000 3.252 2.477 3.605 . 0 0 "[ . 1 . 2]" 1
82 1 9 LEU H 1 9 LEU MD1 1.800 . 5.500 3.311 2.087 4.079 . 0 0 "[ . 1 . 2]" 1
83 1 9 LEU H 1 10 ARG H 1.800 . 3.000 2.701 2.480 2.851 . 0 0 "[ . 1 . 2]" 1
84 1 9 LEU H 1 10 ARG HA 1.800 . 6.000 5.239 4.993 5.406 . 0 0 "[ . 1 . 2]" 1
85 1 9 LEU H 1 11 ARG H 1.800 . 5.000 4.381 3.402 4.876 . 0 0 "[ . 1 . 2]" 1
86 1 9 LEU H 1 12 GLU H 1.800 . 6.000 4.991 4.301 5.450 . 0 0 "[ . 1 . 2]" 1
87 1 9 LEU HA 1 10 ARG H 1.800 . 4.000 3.400 3.239 3.574 . 0 0 "[ . 1 . 2]" 1
88 1 9 LEU HA 1 11 ARG H 1.800 . 5.000 4.252 3.448 5.001 0.001 15 0 "[ . 1 . 2]" 1
89 1 9 LEU HA 1 12 GLU H 1.800 . 4.000 3.420 2.893 3.985 . 0 0 "[ . 1 . 2]" 1
90 1 9 LEU HA 1 12 GLU HB2 1.800 . 4.000 3.130 2.587 3.794 . 0 0 "[ . 1 . 2]" 1
91 1 9 LEU HA 1 12 GLU HB3 1.800 . 4.000 3.014 2.469 3.693 . 0 0 "[ . 1 . 2]" 1
92 1 9 LEU HA 1 13 ILE H 1.800 . 5.000 4.347 3.866 4.757 . 0 0 "[ . 1 . 2]" 1
93 1 9 LEU QB 1 11 ARG H 1.800 . 6.000 4.918 3.989 5.476 . 0 0 "[ . 1 . 2]" 1
94 1 9 LEU QB 1 12 GLU H 1.800 . 6.000 4.921 4.462 5.416 . 0 0 "[ . 1 . 2]" 1
95 1 9 LEU HB2 1 10 ARG H 1.800 . 4.000 3.523 2.258 4.016 0.016 13 0 "[ . 1 . 2]" 1
96 1 9 LEU HB3 1 10 ARG H 1.800 . 4.000 3.549 2.469 4.020 0.020 17 0 "[ . 1 . 2]" 1
97 1 9 LEU QD 1 10 ARG H 1.800 . 6.000 4.079 2.669 4.448 . 0 0 "[ . 1 . 2]" 1
98 1 10 ARG H 1 10 ARG HA 1.800 . 3.000 2.872 2.699 2.953 . 0 0 "[ . 1 . 2]" 1
99 1 10 ARG H 1 10 ARG HB2 1.800 . 4.000 2.494 2.127 3.394 . 0 0 "[ . 1 . 2]" 1
100 1 10 ARG H 1 10 ARG HB3 1.800 . 4.000 3.203 2.263 3.698 . 0 0 "[ . 1 . 2]" 1
101 1 10 ARG H 1 11 ARG H 1.800 . 3.000 2.480 2.012 3.014 0.014 11 0 "[ . 1 . 2]" 1
102 1 10 ARG H 1 11 ARG HB2 1.800 . 6.000 4.507 4.009 5.118 . 0 0 "[ . 1 . 2]" 1
103 1 10 ARG H 1 11 ARG HB3 1.800 . 6.000 5.737 4.954 6.029 0.029 4 0 "[ . 1 . 2]" 1
104 1 10 ARG H 1 13 ILE H 1.800 . 6.000 4.937 4.602 5.175 . 0 0 "[ . 1 . 2]" 1
105 1 10 ARG HA 1 11 ARG H 1.800 . 4.000 3.503 3.320 3.576 . 0 0 "[ . 1 . 2]" 1
106 1 10 ARG HA 1 12 GLU H 1.800 . 5.000 4.146 3.340 4.578 . 0 0 "[ . 1 . 2]" 1
107 1 10 ARG HA 1 13 ILE H 1.800 . 4.000 3.756 3.312 4.033 0.033 9 0 "[ . 1 . 2]" 1
108 1 10 ARG HA 1 13 ILE HB 1.800 . 4.500 3.510 2.978 4.085 . 0 0 "[ . 1 . 2]" 1
109 1 10 ARG HA 1 14 ALA H 1.800 . 5.000 4.796 4.384 5.008 0.008 9 0 "[ . 1 . 2]" 1
110 1 10 ARG QB 1 14 ALA H 1.800 . 6.000 5.579 5.050 6.010 0.010 8 0 "[ . 1 . 2]" 1
111 1 10 ARG HB2 1 11 ARG H 1.800 . 5.000 3.241 2.217 4.071 . 0 0 "[ . 1 . 2]" 1
112 1 10 ARG HB3 1 11 ARG H 1.800 . 5.000 3.321 2.278 4.248 . 0 0 "[ . 1 . 2]" 1
113 1 11 ARG H 1 11 ARG HA 1.800 . 3.000 2.876 2.779 2.956 . 0 0 "[ . 1 . 2]" 1
114 1 11 ARG H 1 11 ARG HB2 1.800 . 4.000 2.371 2.066 2.880 . 0 0 "[ . 1 . 2]" 1
115 1 11 ARG H 1 11 ARG HB3 1.800 . 4.000 3.386 2.645 3.739 . 0 0 "[ . 1 . 2]" 1
116 1 11 ARG H 1 12 GLU H 1.800 . 3.000 2.423 1.966 2.803 . 0 0 "[ . 1 . 2]" 1
117 1 11 ARG H 1 12 GLU HA 1.800 . 6.000 5.037 4.628 5.349 . 0 0 "[ . 1 . 2]" 1
118 1 11 ARG H 1 12 GLU HB2 1.800 . 6.000 4.561 4.073 4.965 . 0 0 "[ . 1 . 2]" 1
119 1 11 ARG H 1 12 GLU HB3 1.800 . 6.000 4.857 4.038 5.723 . 0 0 "[ . 1 . 2]" 1
120 1 11 ARG H 1 13 ILE H 1.800 . 5.000 4.224 3.489 4.872 . 0 0 "[ . 1 . 2]" 1
121 1 11 ARG HA 1 12 GLU H 1.800 . 4.000 3.451 3.203 3.550 . 0 0 "[ . 1 . 2]" 1
122 1 11 ARG HA 1 13 ILE H 1.800 . 5.000 4.405 3.838 4.976 . 0 0 "[ . 1 . 2]" 1
123 1 11 ARG HA 1 14 ALA H 1.800 . 4.000 3.506 3.126 3.961 . 0 0 "[ . 1 . 2]" 1
124 1 11 ARG HA 1 14 ALA MB 1.800 . 4.000 2.826 2.410 3.254 . 0 0 "[ . 1 . 2]" 1
125 1 11 ARG HA 1 15 CYS H 1.800 . 5.000 4.239 3.281 4.926 . 0 0 "[ . 1 . 2]" 1
126 1 11 ARG HB3 1 12 GLU H 1.800 . 5.000 3.594 2.559 4.269 . 0 0 "[ . 1 . 2]" 1
127 1 12 GLU H 1 12 GLU HA 1.800 . 3.000 2.858 2.785 2.944 . 0 0 "[ . 1 . 2]" 1
128 1 12 GLU H 1 12 GLU HB2 1.800 . 4.000 2.472 2.074 2.815 . 0 0 "[ . 1 . 2]" 1
129 1 12 GLU H 1 12 GLU HB3 1.800 . 4.000 2.677 2.347 3.202 . 0 0 "[ . 1 . 2]" 1
130 1 12 GLU H 1 12 GLU HG2 1.800 . 5.000 4.460 4.278 4.663 . 0 0 "[ . 1 . 2]" 1
131 1 12 GLU H 1 12 GLU HG3 1.800 . 5.000 4.388 3.674 4.731 . 0 0 "[ . 1 . 2]" 1
132 1 12 GLU H 1 13 ILE H 1.800 . 3.000 2.579 2.242 2.807 . 0 0 "[ . 1 . 2]" 1
133 1 12 GLU H 1 13 ILE HA 1.800 . 6.000 5.199 4.928 5.377 . 0 0 "[ . 1 . 2]" 1
134 1 12 GLU H 1 13 ILE MD 1.800 . 6.000 5.017 3.875 5.634 . 0 0 "[ . 1 . 2]" 1
135 1 12 GLU H 1 13 ILE QG 1.800 . 6.000 4.095 3.407 4.682 . 0 0 "[ . 1 . 2]" 1
136 1 12 GLU H 1 13 ILE MG 1.800 . 6.000 5.775 5.517 5.980 . 0 0 "[ . 1 . 2]" 1
137 1 12 GLU H 1 14 ALA H 1.800 . 5.000 3.964 3.570 4.373 . 0 0 "[ . 1 . 2]" 1
138 1 12 GLU H 1 15 CYS H 1.800 . 6.000 4.669 4.488 4.876 . 0 0 "[ . 1 . 2]" 1
139 1 12 GLU HA 1 13 ILE H 1.800 . 4.000 3.534 3.457 3.578 . 0 0 "[ . 1 . 2]" 1
140 1 12 GLU HA 1 14 ALA H 1.800 . 5.000 4.198 3.749 4.842 . 0 0 "[ . 1 . 2]" 1
141 1 12 GLU HA 1 15 CYS H 1.800 . 4.000 3.391 3.072 3.972 . 0 0 "[ . 1 . 2]" 1
142 1 12 GLU HA 1 15 CYS HB2 1.800 . 4.500 2.816 2.384 4.253 . 0 0 "[ . 1 . 2]" 1
143 1 12 GLU HA 1 15 CYS HB3 1.800 . 4.500 4.046 2.448 4.507 0.007 13 0 "[ . 1 . 2]" 1
144 1 12 GLU HA 1 16 THR H 1.800 . 5.000 4.163 3.622 4.773 . 0 0 "[ . 1 . 2]" 1
145 1 12 GLU HB2 1 13 ILE H 1.800 . 5.000 3.729 3.264 4.165 . 0 0 "[ . 1 . 2]" 1
146 1 12 GLU HB2 1 14 ALA H 1.800 . 6.000 5.604 5.098 6.028 0.028 17 0 "[ . 1 . 2]" 1
147 1 12 GLU HB3 1 13 ILE H 1.800 . 5.000 2.608 2.125 3.026 . 0 0 "[ . 1 . 2]" 1
148 1 12 GLU HB3 1 14 ALA H 1.800 . 6.000 4.911 4.431 5.254 . 0 0 "[ . 1 . 2]" 1
149 1 12 GLU QG 1 16 THR H 1.800 . 6.000 4.310 3.656 5.285 . 0 0 "[ . 1 . 2]" 1
150 1 12 GLU HG2 1 13 ILE H 1.800 . 6.000 4.175 3.167 5.146 . 0 0 "[ . 1 . 2]" 1
151 1 12 GLU HG3 1 13 ILE H 1.800 . 6.000 4.722 4.107 5.189 . 0 0 "[ . 1 . 2]" 1
152 1 13 ILE H 1 13 ILE HA 1.800 . 3.000 2.820 2.721 2.912 . 0 0 "[ . 1 . 2]" 1
153 1 13 ILE H 1 13 ILE HB 1.800 . 3.000 2.512 2.328 2.791 . 0 0 "[ . 1 . 2]" 1
154 1 13 ILE H 1 13 ILE MD 1.800 . 5.000 3.419 2.317 3.827 . 0 0 "[ . 1 . 2]" 1
155 1 13 ILE H 1 13 ILE QG 1.800 . 4.000 2.136 1.785 2.592 0.015 10 0 "[ . 1 . 2]" 1
156 1 13 ILE H 1 13 ILE MG 1.800 . 5.000 3.733 3.697 3.764 . 0 0 "[ . 1 . 2]" 1
157 1 13 ILE H 1 14 ALA H 1.800 . 3.000 2.630 2.291 2.908 . 0 0 "[ . 1 . 2]" 1
158 1 13 ILE HA 1 14 ALA H 1.800 . 4.000 3.510 3.453 3.571 . 0 0 "[ . 1 . 2]" 1
159 1 13 ILE HA 1 15 CYS H 1.800 . 5.000 4.402 3.734 4.993 . 0 0 "[ . 1 . 2]" 1
160 1 13 ILE HA 1 16 THR H 1.800 . 4.000 3.547 3.103 3.902 . 0 0 "[ . 1 . 2]" 1
161 1 13 ILE HA 1 16 THR HB 1.800 . 4.000 2.933 2.451 3.630 . 0 0 "[ . 1 . 2]" 1
162 1 13 ILE HA 1 16 THR MG 1.800 . 6.000 4.059 3.553 4.346 . 0 0 "[ . 1 . 2]" 1
163 1 13 ILE HA 1 17 LYS H 1.800 . 5.000 4.504 3.966 5.016 0.016 9 0 "[ . 1 . 2]" 1
164 1 13 ILE HB 1 14 ALA H 1.800 . 3.000 2.789 2.264 3.011 0.011 4 0 "[ . 1 . 2]" 1
165 1 13 ILE HB 1 15 CYS H 1.800 . 6.000 5.037 4.729 5.367 . 0 0 "[ . 1 . 2]" 1
166 1 13 ILE MD 1 14 ALA H 1.800 . 6.000 4.604 4.051 4.914 . 0 0 "[ . 1 . 2]" 1
167 1 13 ILE QG 1 14 ALA H 1.800 . 5.000 4.048 3.659 4.311 . 0 0 "[ . 1 . 2]" 1
168 1 13 ILE MG 1 14 ALA H 1.800 . 5.000 3.571 3.180 3.936 . 0 0 "[ . 1 . 2]" 1
169 1 13 ILE MG 1 16 THR H 1.800 . 6.000 4.614 4.261 4.936 . 0 0 "[ . 1 . 2]" 1
170 1 14 ALA H 1 14 ALA HA 1.800 . 3.000 2.882 2.810 2.924 . 0 0 "[ . 1 . 2]" 1
171 1 14 ALA H 1 14 ALA MB 1.800 . 4.000 2.180 2.071 2.276 . 0 0 "[ . 1 . 2]" 1
172 1 14 ALA H 1 15 CYS H 1.800 . 3.000 2.458 2.243 2.731 . 0 0 "[ . 1 . 2]" 1
173 1 14 ALA H 1 15 CYS HB2 1.800 . 6.000 4.617 4.305 5.251 . 0 0 "[ . 1 . 2]" 1
174 1 14 ALA H 1 15 CYS HB3 1.800 . 6.000 5.765 4.568 6.040 0.040 20 0 "[ . 1 . 2]" 1
175 1 14 ALA H 1 16 THR H 1.800 . 5.000 3.771 3.391 4.254 . 0 0 "[ . 1 . 2]" 1
176 1 14 ALA HA 1 15 CYS H 1.800 . 4.000 3.505 3.386 3.570 . 0 0 "[ . 1 . 2]" 1
177 1 14 ALA HA 1 16 THR H 1.800 . 5.000 4.010 3.635 4.632 . 0 0 "[ . 1 . 2]" 1
178 1 14 ALA HA 1 17 LYS H 1.800 . 4.000 3.646 3.337 4.007 0.007 2 0 "[ . 1 . 2]" 1
179 1 14 ALA HA 1 17 LYS QB 1.800 . 4.500 3.284 2.710 4.304 . 0 0 "[ . 1 . 2]" 1
180 1 14 ALA HA 1 17 LYS HG2 1.800 . 6.000 4.777 2.539 5.816 . 0 0 "[ . 1 . 2]" 1
181 1 14 ALA HA 1 17 LYS HG3 1.800 . 6.000 4.131 3.097 5.754 . 0 0 "[ . 1 . 2]" 1
182 1 14 ALA HA 1 18 CYS H 1.800 . 5.000 4.836 4.607 5.028 0.028 19 0 "[ . 1 . 2]" 1
183 1 14 ALA MB 1 15 CYS H 1.800 . 4.000 2.692 2.302 3.086 . 0 0 "[ . 1 . 2]" 1
184 1 14 ALA MB 1 15 CYS HA 1.800 . 6.000 3.835 3.633 4.021 . 0 0 "[ . 1 . 2]" 1
185 1 14 ALA MB 1 17 LYS H 1.800 . 6.000 4.757 4.444 5.086 . 0 0 "[ . 1 . 2]" 1
186 1 14 ALA MB 1 18 CYS H 1.800 . 6.000 5.208 4.886 5.571 . 0 0 "[ . 1 . 2]" 1
187 1 15 CYS H 1 15 CYS HA 1.800 . 3.000 2.878 2.808 2.955 . 0 0 "[ . 1 . 2]" 1
188 1 15 CYS H 1 15 CYS HB2 1.800 . 4.000 2.442 2.301 2.846 . 0 0 "[ . 1 . 2]" 1
189 1 15 CYS H 1 15 CYS HB3 1.800 . 4.000 3.414 2.333 3.691 . 0 0 "[ . 1 . 2]" 1
190 1 15 CYS H 1 16 THR H 1.800 . 3.000 2.420 2.004 2.697 . 0 0 "[ . 1 . 2]" 1
191 1 15 CYS H 1 16 THR HA 1.800 . 6.000 5.031 4.649 5.305 . 0 0 "[ . 1 . 2]" 1
192 1 15 CYS H 1 16 THR HB 1.800 . 5.000 4.743 4.110 5.009 0.009 16 0 "[ . 1 . 2]" 1
193 1 15 CYS H 1 17 LYS H 1.800 . 5.000 4.176 3.777 4.550 . 0 0 "[ . 1 . 2]" 1
194 1 15 CYS H 1 18 CYS H 1.800 . 6.000 4.943 4.603 5.164 . 0 0 "[ . 1 . 2]" 1
195 1 15 CYS H 1 18 CYS QB 1.800 . 6.000 4.984 4.616 5.247 . 0 0 "[ . 1 . 2]" 1
196 1 15 CYS H 1 31 CYS HB2 1.800 . 6.000 5.615 4.788 5.974 . 0 0 "[ . 1 . 2]" 1
197 1 15 CYS H 1 31 CYS HB3 1.800 . 6.000 5.342 5.043 6.022 0.022 7 0 "[ . 1 . 2]" 1
198 1 15 CYS HA 1 16 THR H 1.800 . 4.000 3.432 3.300 3.556 . 0 0 "[ . 1 . 2]" 1
199 1 15 CYS HA 1 17 LYS H 1.800 . 5.000 4.274 3.888 4.844 . 0 0 "[ . 1 . 2]" 1
200 1 15 CYS HA 1 18 CYS H 1.800 . 4.000 3.408 3.155 3.787 . 0 0 "[ . 1 . 2]" 1
201 1 15 CYS HA 1 18 CYS HB2 1.800 . 5.000 2.643 2.259 3.004 . 0 0 "[ . 1 . 2]" 1
202 1 15 CYS HA 1 18 CYS HB3 1.800 . 5.000 3.895 3.157 4.541 . 0 0 "[ . 1 . 2]" 1
203 1 15 CYS HA 1 19 ARG H 1.800 . 5.000 4.415 3.803 4.882 . 0 0 "[ . 1 . 2]" 1
204 1 15 CYS HA 1 41 CYS QB 1.800 . 6.000 4.780 4.035 5.349 . 0 0 "[ . 1 . 2]" 1
205 1 15 CYS QB 1 31 CYS H 1.800 . 6.000 4.540 4.227 5.446 . 0 0 "[ . 1 . 2]" 1
206 1 15 CYS HB2 1 16 THR H 1.800 . 5.000 3.310 2.999 4.136 . 0 0 "[ . 1 . 2]" 1
207 1 15 CYS HB2 1 28 PHE HA 1.800 . 6.000 5.408 4.871 5.875 . 0 0 "[ . 1 . 2]" 1
208 1 15 CYS HB3 1 16 THR H 1.800 . 5.000 3.802 2.500 4.163 . 0 0 "[ . 1 . 2]" 1
209 1 15 CYS HB3 1 28 PHE HA 1.800 . 6.000 4.052 3.233 5.478 . 0 0 "[ . 1 . 2]" 1
210 1 16 THR H 1 16 THR HA 1.800 . 3.000 2.877 2.800 2.917 . 0 0 "[ . 1 . 2]" 1
211 1 16 THR H 1 16 THR HB 1.800 . 3.000 2.548 2.274 2.892 . 0 0 "[ . 1 . 2]" 1
212 1 16 THR H 1 16 THR MG 1.800 . 5.000 3.734 3.672 3.775 . 0 0 "[ . 1 . 2]" 1
213 1 16 THR H 1 17 LYS H 1.800 . 3.000 2.473 2.255 2.769 . 0 0 "[ . 1 . 2]" 1
214 1 16 THR H 1 17 LYS HA 1.800 . 6.000 5.126 4.958 5.361 . 0 0 "[ . 1 . 2]" 1
215 1 16 THR H 1 17 LYS HB2 1.800 . 6.000 4.618 4.168 6.003 0.003 13 0 "[ . 1 . 2]" 1
216 1 16 THR H 1 17 LYS HB3 1.800 . 6.000 5.838 4.766 6.067 0.067 17 0 "[ . 1 . 2]" 1
217 1 16 THR H 1 18 CYS H 1.800 . 5.000 3.802 3.645 4.127 . 0 0 "[ . 1 . 2]" 1
218 1 16 THR HA 1 17 LYS H 1.800 . 4.000 3.515 3.454 3.570 . 0 0 "[ . 1 . 2]" 1
219 1 16 THR HA 1 18 CYS H 1.800 . 5.000 3.990 3.701 4.322 . 0 0 "[ . 1 . 2]" 1
220 1 16 THR HA 1 19 ARG H 1.800 . 4.000 3.582 3.189 3.885 . 0 0 "[ . 1 . 2]" 1
221 1 16 THR HA 1 19 ARG HB2 1.800 . 5.500 4.966 4.386 5.371 . 0 0 "[ . 1 . 2]" 1
222 1 16 THR HA 1 19 ARG HB3 1.800 . 5.500 3.635 2.883 4.269 . 0 0 "[ . 1 . 2]" 1
223 1 16 THR HA 1 20 ASP H 1.800 . 5.000 4.079 3.313 4.922 . 0 0 "[ . 1 . 2]" 1
224 1 16 THR HA 1 28 PHE QB 1.800 . 6.000 4.772 4.197 5.441 . 0 0 "[ . 1 . 2]" 1
225 1 16 THR HB 1 17 LYS H 1.800 . 3.500 2.702 2.260 3.046 . 0 0 "[ . 1 . 2]" 1
226 1 16 THR HB 1 18 CYS H 1.800 . 5.000 4.834 4.545 5.012 0.012 12 0 "[ . 1 . 2]" 1
227 1 16 THR MG 1 17 LYS H 1.800 . 5.000 3.624 3.307 3.999 . 0 0 "[ . 1 . 2]" 1
228 1 16 THR MG 1 18 CYS H 1.800 . 6.000 4.825 4.537 5.155 . 0 0 "[ . 1 . 2]" 1
229 1 16 THR MG 1 19 ARG H 1.800 . 6.000 4.732 4.430 5.089 . 0 0 "[ . 1 . 2]" 1
230 1 16 THR MG 1 20 ASP H 1.800 . 6.000 4.011 3.328 4.677 . 0 0 "[ . 1 . 2]" 1
231 1 17 LYS H 1 17 LYS HA 1.800 . 3.000 2.852 2.749 2.929 . 0 0 "[ . 1 . 2]" 1
232 1 17 LYS H 1 17 LYS HB2 1.800 . 4.000 2.441 2.123 3.608 . 0 0 "[ . 1 . 2]" 1
233 1 17 LYS H 1 17 LYS HB3 1.800 . 4.000 3.460 2.570 3.611 . 0 0 "[ . 1 . 2]" 1
234 1 17 LYS H 1 17 LYS HD2 1.800 . 5.000 4.110 1.979 4.972 . 0 0 "[ . 1 . 2]" 1
235 1 17 LYS H 1 17 LYS HD3 1.800 . 5.000 4.448 2.859 5.015 0.015 16 0 "[ . 1 . 2]" 1
236 1 17 LYS H 1 17 LYS HG2 1.800 . 4.000 3.220 1.905 4.048 0.048 14 0 "[ . 1 . 2]" 1
237 1 17 LYS H 1 17 LYS HG3 1.800 . 4.000 3.087 2.412 4.010 0.010 2 0 "[ . 1 . 2]" 1
238 1 17 LYS H 1 18 CYS H 1.800 . 3.000 2.495 2.191 2.793 . 0 0 "[ . 1 . 2]" 1
239 1 17 LYS H 1 19 ARG H 1.800 . 5.000 4.369 3.968 4.767 . 0 0 "[ . 1 . 2]" 1
240 1 17 LYS HA 1 18 CYS H 1.800 . 4.000 3.458 3.408 3.538 . 0 0 "[ . 1 . 2]" 1
241 1 17 LYS HA 1 19 ARG H 1.800 . 5.000 4.604 4.107 4.998 . 0 0 "[ . 1 . 2]" 1
242 1 17 LYS HA 1 20 ASP H 1.800 . 4.000 3.604 3.252 3.887 . 0 0 "[ . 1 . 2]" 1
243 1 17 LYS HA 1 20 ASP QB 1.800 . 4.000 2.579 2.234 2.906 . 0 0 "[ . 1 . 2]" 1
244 1 17 LYS HA 1 21 ARG H 1.800 . 5.000 4.399 4.037 4.750 . 0 0 "[ . 1 . 2]" 1
245 1 17 LYS HB2 1 18 CYS H 1.800 . 4.000 3.162 2.735 3.993 . 0 0 "[ . 1 . 2]" 1
246 1 17 LYS HB2 1 20 ASP H 1.800 . 6.000 5.770 5.449 6.010 0.010 5 0 "[ . 1 . 2]" 1
247 1 17 LYS HB3 1 18 CYS H 1.800 . 4.000 3.833 3.395 4.027 0.027 3 0 "[ . 1 . 2]" 1
248 1 17 LYS HB3 1 20 ASP H 1.800 . 6.000 5.599 5.038 5.941 . 0 0 "[ . 1 . 2]" 1
249 1 17 LYS HD2 1 18 CYS H 1.800 . 6.000 5.387 4.287 6.006 0.006 4 0 "[ . 1 . 2]" 1
250 1 17 LYS HD3 1 18 CYS H 1.800 . 6.000 5.584 4.425 6.004 0.004 16 0 "[ . 1 . 2]" 1
251 1 17 LYS HG2 1 18 CYS H 1.800 . 5.500 4.723 2.155 5.528 0.028 14 0 "[ . 1 . 2]" 1
252 1 17 LYS HG3 1 18 CYS H 1.800 . 5.500 4.630 1.994 5.450 . 0 0 "[ . 1 . 2]" 1
253 1 18 CYS H 1 18 CYS HA 1.800 . 3.000 2.870 2.824 2.918 . 0 0 "[ . 1 . 2]" 1
254 1 18 CYS H 1 18 CYS HB2 1.800 . 4.000 2.179 2.062 2.373 . 0 0 "[ . 1 . 2]" 1
255 1 18 CYS H 1 18 CYS HB3 1.800 . 4.000 3.281 2.781 3.573 . 0 0 "[ . 1 . 2]" 1
256 1 18 CYS H 1 19 ARG H 1.800 . 3.000 2.581 2.325 2.804 . 0 0 "[ . 1 . 2]" 1
257 1 18 CYS H 1 19 ARG QB 1.800 . 6.000 4.500 4.309 4.875 . 0 0 "[ . 1 . 2]" 1
258 1 18 CYS H 1 20 ASP H 1.800 . 5.000 3.879 3.710 4.087 . 0 0 "[ . 1 . 2]" 1
259 1 18 CYS H 1 21 ARG H 1.800 . 6.000 4.771 4.526 4.979 . 0 0 "[ . 1 . 2]" 1
260 1 18 CYS H 1 28 PHE HA 1.800 . 6.000 5.608 5.186 5.930 . 0 0 "[ . 1 . 2]" 1
261 1 18 CYS H 1 28 PHE QD 1.800 . 6.000 5.233 4.740 5.990 . 0 0 "[ . 1 . 2]" 1
262 1 18 CYS H 1 28 PHE QE 1.800 . 6.000 5.856 5.296 6.031 0.031 14 0 "[ . 1 . 2]" 1
263 1 18 CYS H 1 31 CYS QB 1.800 . 6.000 4.933 4.554 5.902 . 0 0 "[ . 1 . 2]" 1
264 1 18 CYS H 1 41 CYS QB 1.800 . 6.000 5.704 5.365 5.910 . 0 0 "[ . 1 . 2]" 1
265 1 18 CYS H 1 45 LEU MD1 1.800 . 6.000 4.069 3.232 5.258 . 0 0 "[ . 1 . 2]" 1
266 1 18 CYS H 1 45 LEU MD2 1.800 . 6.000 4.365 2.812 5.550 . 0 0 "[ . 1 . 2]" 1
267 1 18 CYS H 1 45 LEU HG 1.800 . 6.000 5.700 5.348 6.017 0.017 5 0 "[ . 1 . 2]" 1
268 1 18 CYS HA 1 19 ARG H 1.800 . 4.000 3.556 3.515 3.579 . 0 0 "[ . 1 . 2]" 1
269 1 18 CYS HA 1 20 ASP H 1.800 . 5.000 4.512 4.125 4.898 . 0 0 "[ . 1 . 2]" 1
270 1 18 CYS HA 1 21 ARG H 1.800 . 4.000 3.707 3.257 4.050 0.050 18 0 "[ . 1 . 2]" 1
271 1 18 CYS HA 1 21 ARG HB2 1.800 . 4.000 3.321 2.433 3.952 . 0 0 "[ . 1 . 2]" 1
272 1 18 CYS HA 1 21 ARG HB3 1.800 . 4.000 3.651 3.245 4.017 0.017 5 0 "[ . 1 . 2]" 1
273 1 18 CYS HA 1 22 VAL H 1.800 . 5.000 4.902 4.516 5.041 0.041 19 0 "[ . 1 . 2]" 1
274 1 18 CYS HA 1 45 LEU MD1 1.800 . 6.000 3.782 2.624 5.342 . 0 0 "[ . 1 . 2]" 1
275 1 18 CYS HA 1 45 LEU MD2 1.800 . 6.000 3.474 2.321 5.054 . 0 0 "[ . 1 . 2]" 1
276 1 18 CYS QB 1 20 ASP H 1.800 . 6.000 4.566 4.317 4.835 . 0 0 "[ . 1 . 2]" 1
277 1 18 CYS QB 1 22 VAL H 1.800 . 6.000 5.446 4.984 5.712 . 0 0 "[ . 1 . 2]" 1
278 1 18 CYS HB2 1 19 ARG H 1.800 . 5.000 2.998 2.540 3.645 . 0 0 "[ . 1 . 2]" 1
279 1 18 CYS HB3 1 19 ARG H 1.800 . 5.000 2.897 2.323 3.689 . 0 0 "[ . 1 . 2]" 1
280 1 19 ARG H 1 19 ARG HA 1.800 . 3.000 2.852 2.784 2.905 . 0 0 "[ . 1 . 2]" 1
281 1 19 ARG H 1 19 ARG HB2 1.800 . 4.000 3.330 2.716 3.607 . 0 0 "[ . 1 . 2]" 1
282 1 19 ARG H 1 19 ARG HB3 1.800 . 4.000 2.324 2.213 2.534 . 0 0 "[ . 1 . 2]" 1
283 1 19 ARG H 1 19 ARG QG 1.800 . 5.000 2.983 2.209 4.048 . 0 0 "[ . 1 . 2]" 1
284 1 19 ARG H 1 20 ASP H 1.800 . 3.000 2.561 2.400 2.754 . 0 0 "[ . 1 . 2]" 1
285 1 19 ARG H 1 20 ASP HA 1.800 . 6.000 5.188 5.068 5.351 . 0 0 "[ . 1 . 2]" 1
286 1 19 ARG H 1 20 ASP QB 1.800 . 6.000 4.298 4.075 4.474 . 0 0 "[ . 1 . 2]" 1
287 1 19 ARG H 1 21 ARG H 1.800 . 5.000 3.956 3.623 4.240 . 0 0 "[ . 1 . 2]" 1
288 1 19 ARG H 1 28 PHE H 1.800 . 6.000 5.374 4.457 6.008 0.008 19 0 "[ . 1 . 2]" 1
289 1 19 ARG H 1 28 PHE HA 1.800 . 4.000 3.827 3.459 4.011 0.011 5 0 "[ . 1 . 2]" 1
290 1 19 ARG H 1 28 PHE QB 1.800 . 6.000 4.440 4.206 4.683 . 0 0 "[ . 1 . 2]" 1
291 1 19 ARG H 1 28 PHE QD 1.800 . 6.000 3.790 3.281 4.381 . 0 0 "[ . 1 . 2]" 1
292 1 19 ARG H 1 28 PHE QE 1.800 . 6.000 5.334 4.820 5.690 . 0 0 "[ . 1 . 2]" 1
293 1 19 ARG HA 1 20 ASP H 1.800 . 4.000 3.531 3.489 3.562 . 0 0 "[ . 1 . 2]" 1
294 1 19 ARG HA 1 21 ARG H 1.800 . 5.000 3.862 3.507 4.194 . 0 0 "[ . 1 . 2]" 1
295 1 19 ARG HA 1 22 VAL H 1.800 . 4.000 3.380 2.937 3.899 . 0 0 "[ . 1 . 2]" 1
296 1 19 ARG HA 1 22 VAL HB 1.800 . 4.500 3.580 2.860 4.286 . 0 0 "[ . 1 . 2]" 1
297 1 19 ARG HA 1 23 ARG H 1.800 . 5.000 3.930 3.617 4.358 . 0 0 "[ . 1 . 2]" 1
298 1 19 ARG HA 1 24 THR H 1.800 . 4.000 3.481 3.176 3.967 . 0 0 "[ . 1 . 2]" 1
299 1 19 ARG QB 1 26 ASP H 1.800 . 6.000 5.445 4.705 5.945 . 0 0 "[ . 1 . 2]" 1
300 1 19 ARG QB 1 27 TYR H 1.800 . 6.000 4.162 3.749 4.455 . 0 0 "[ . 1 . 2]" 1
301 1 19 ARG QB 1 28 PHE H 1.800 . 5.000 2.858 1.916 3.767 . 0 0 "[ . 1 . 2]" 1
302 1 19 ARG HB2 1 20 ASP H 1.800 . 4.000 3.989 3.909 4.041 0.041 6 0 "[ . 1 . 2]" 1
303 1 19 ARG HB2 1 28 PHE HA 1.800 . 4.500 3.283 2.318 4.030 . 0 0 "[ . 1 . 2]" 1
304 1 19 ARG HB2 1 29 TYR H 1.800 . 6.000 5.329 4.658 5.855 . 0 0 "[ . 1 . 2]" 1
305 1 19 ARG HB3 1 20 ASP H 1.800 . 4.000 3.384 2.547 3.967 . 0 0 "[ . 1 . 2]" 1
306 1 19 ARG HB3 1 28 PHE HA 1.800 . 4.500 2.812 2.257 3.856 . 0 0 "[ . 1 . 2]" 1
307 1 19 ARG HB3 1 29 TYR H 1.800 . 6.000 5.598 4.894 6.047 0.047 17 0 "[ . 1 . 2]" 1
308 1 19 ARG QG 1 20 ASP H 1.800 . 5.000 2.434 1.793 3.933 0.007 15 0 "[ . 1 . 2]" 1
309 1 19 ARG QG 1 28 PHE H 1.800 . 6.000 4.376 1.918 5.901 . 0 0 "[ . 1 . 2]" 1
310 1 20 ASP H 1 20 ASP HA 1.800 . 3.000 2.813 2.731 2.906 . 0 0 "[ . 1 . 2]" 1
311 1 20 ASP H 1 20 ASP HB2 1.800 . 4.000 2.257 2.072 2.602 . 0 0 "[ . 1 . 2]" 1
312 1 20 ASP H 1 20 ASP HB3 1.800 . 4.000 3.098 2.467 3.560 . 0 0 "[ . 1 . 2]" 1
313 1 20 ASP H 1 21 ARG H 1.800 . 3.000 2.634 2.326 2.845 . 0 0 "[ . 1 . 2]" 1
314 1 20 ASP H 1 21 ARG HA 1.800 . 6.000 5.233 4.915 5.435 . 0 0 "[ . 1 . 2]" 1
315 1 20 ASP H 1 21 ARG QB 1.800 . 6.000 4.378 3.969 4.640 . 0 0 "[ . 1 . 2]" 1
316 1 20 ASP H 1 22 VAL H 1.800 . 5.000 4.431 3.870 4.745 . 0 0 "[ . 1 . 2]" 1
317 1 20 ASP H 1 24 THR H 1.800 . 6.000 5.557 5.315 5.788 . 0 0 "[ . 1 . 2]" 1
318 1 20 ASP H 1 28 PHE HA 1.800 . 6.000 5.890 5.499 6.016 0.016 1 0 "[ . 1 . 2]" 1
319 1 20 ASP H 1 28 PHE QB 1.800 . 6.000 5.501 5.165 5.982 . 0 0 "[ . 1 . 2]" 1
320 1 20 ASP HA 1 21 ARG H 1.800 . 4.000 3.467 3.396 3.526 . 0 0 "[ . 1 . 2]" 1
321 1 20 ASP HA 1 22 VAL H 1.800 . 5.000 4.517 3.808 4.981 . 0 0 "[ . 1 . 2]" 1
322 1 20 ASP HA 1 23 ARG H 1.800 . 4.000 3.275 2.928 3.531 . 0 0 "[ . 1 . 2]" 1
323 1 20 ASP HA 1 24 THR H 1.800 . 5.000 4.904 4.696 5.033 0.033 2 0 "[ . 1 . 2]" 1
324 1 20 ASP QB 1 22 VAL H 1.800 . 6.000 4.979 4.440 5.208 . 0 0 "[ . 1 . 2]" 1
325 1 20 ASP HB2 1 21 ARG H 1.800 . 4.000 3.567 2.968 4.017 0.017 8 0 "[ . 1 . 2]" 1
326 1 20 ASP HB3 1 21 ARG H 1.800 . 4.000 3.248 2.693 3.866 . 0 0 "[ . 1 . 2]" 1
327 1 21 ARG H 1 21 ARG HA 1.800 . 3.000 2.860 2.814 2.926 . 0 0 "[ . 1 . 2]" 1
328 1 21 ARG H 1 21 ARG HB2 1.800 . 4.000 2.400 2.086 2.662 . 0 0 "[ . 1 . 2]" 1
329 1 21 ARG H 1 21 ARG HB3 1.800 . 4.000 2.740 2.430 3.285 . 0 0 "[ . 1 . 2]" 1
330 1 21 ARG H 1 22 VAL H 1.800 . 3.000 2.597 2.195 2.749 . 0 0 "[ . 1 . 2]" 1
331 1 21 ARG H 1 22 VAL HB 1.800 . 6.000 5.111 4.779 5.496 . 0 0 "[ . 1 . 2]" 1
332 1 21 ARG H 1 22 VAL MG1 1.800 . 6.000 5.909 5.594 6.016 0.016 8 0 "[ . 1 . 2]" 1
333 1 21 ARG H 1 22 VAL MG2 1.800 . 6.000 4.006 3.568 4.419 . 0 0 "[ . 1 . 2]" 1
334 1 21 ARG H 1 23 ARG H 1.800 . 5.000 3.479 3.303 3.702 . 0 0 "[ . 1 . 2]" 1
335 1 21 ARG HA 1 22 VAL H 1.800 . 4.000 3.544 3.430 3.575 . 0 0 "[ . 1 . 2]" 1
336 1 21 ARG HA 1 23 ARG H 1.800 . 5.000 4.157 3.877 4.506 . 0 0 "[ . 1 . 2]" 1
337 1 21 ARG HA 1 23 ARG QG 1.800 . 6.000 4.053 3.588 4.500 . 0 0 "[ . 1 . 2]" 1
338 1 21 ARG HB2 1 22 VAL H 1.800 . 4.000 3.623 3.040 4.005 0.005 6 0 "[ . 1 . 2]" 1
339 1 21 ARG HB3 1 22 VAL H 1.800 . 4.000 2.527 2.128 3.120 . 0 0 "[ . 1 . 2]" 1
340 1 22 VAL H 1 22 VAL HA 1.800 . 3.000 2.928 2.878 2.961 . 0 0 "[ . 1 . 2]" 1
341 1 22 VAL H 1 22 VAL HB 1.800 . 3.000 2.705 2.543 2.906 . 0 0 "[ . 1 . 2]" 1
342 1 22 VAL H 1 22 VAL MG1 1.800 . 5.000 3.798 3.693 3.890 . 0 0 "[ . 1 . 2]" 1
343 1 22 VAL H 1 22 VAL MG2 1.800 . 5.000 2.226 1.826 2.528 . 0 0 "[ . 1 . 2]" 1
344 1 22 VAL H 1 23 ARG H 1.800 . 3.000 2.237 1.887 2.496 . 0 0 "[ . 1 . 2]" 1
345 1 22 VAL H 1 23 ARG HA 1.800 . 5.000 4.466 4.126 4.717 . 0 0 "[ . 1 . 2]" 1
346 1 22 VAL H 1 23 ARG QG 1.800 . 6.000 4.022 3.531 4.586 . 0 0 "[ . 1 . 2]" 1
347 1 22 VAL H 1 24 THR H 1.800 . 5.000 3.960 3.672 4.265 . 0 0 "[ . 1 . 2]" 1
348 1 22 VAL HA 1 23 ARG H 1.800 . 4.000 3.350 3.286 3.476 . 0 0 "[ . 1 . 2]" 1
349 1 22 VAL HA 1 24 THR H 1.800 . 5.000 4.735 4.381 5.003 0.003 11 0 "[ . 1 . 2]" 1
350 1 22 VAL HB 1 23 ARG H 1.800 . 3.500 3.364 2.940 3.510 0.010 1 0 "[ . 1 . 2]" 1
351 1 22 VAL HB 1 24 THR H 1.800 . 3.500 2.946 2.606 3.232 . 0 0 "[ . 1 . 2]" 1
352 1 22 VAL HB 1 24 THR HA 1.800 . 6.000 5.138 4.869 5.316 . 0 0 "[ . 1 . 2]" 1
353 1 22 VAL HB 1 24 THR HB 1.800 . 5.000 3.228 2.860 3.860 . 0 0 "[ . 1 . 2]" 1
354 1 22 VAL HB 1 27 TYR H 1.800 . 6.000 4.708 4.250 5.088 . 0 0 "[ . 1 . 2]" 1
355 1 22 VAL HB 1 27 TYR HB2 1.800 . 4.000 2.852 2.565 3.362 . 0 0 "[ . 1 . 2]" 1
356 1 22 VAL HB 1 27 TYR HB3 1.800 . 4.000 3.418 2.519 4.002 0.002 7 0 "[ . 1 . 2]" 1
357 1 22 VAL MG1 1 23 ARG H 1.800 . 5.000 4.140 3.870 4.283 . 0 0 "[ . 1 . 2]" 1
358 1 22 VAL MG1 1 24 THR H 1.800 . 6.000 3.806 3.294 4.199 . 0 0 "[ . 1 . 2]" 1
359 1 22 VAL MG1 1 27 TYR HB2 1.800 . 5.500 3.644 2.303 4.336 . 0 0 "[ . 1 . 2]" 1
360 1 22 VAL MG1 1 27 TYR HB3 1.800 . 5.500 4.478 3.182 5.058 . 0 0 "[ . 1 . 2]" 1
361 1 22 VAL MG2 1 23 ARG H 1.800 . 5.000 3.850 3.534 4.084 . 0 0 "[ . 1 . 2]" 1
362 1 22 VAL MG2 1 24 THR H 1.800 . 6.000 4.391 4.005 4.688 . 0 0 "[ . 1 . 2]" 1
363 1 22 VAL MG2 1 27 TYR HB2 1.800 . 5.500 3.629 3.039 4.215 . 0 0 "[ . 1 . 2]" 1
364 1 22 VAL MG2 1 27 TYR HB3 1.800 . 5.500 3.407 2.805 3.997 . 0 0 "[ . 1 . 2]" 1
365 1 23 ARG H 1 23 ARG HA 1.800 . 3.000 2.305 2.291 2.353 . 0 0 "[ . 1 . 2]" 1
366 1 23 ARG H 1 23 ARG HB2 1.800 . 4.000 3.616 3.262 3.816 . 0 0 "[ . 1 . 2]" 1
367 1 23 ARG H 1 23 ARG HB3 1.800 . 4.000 3.946 3.791 4.050 0.050 1 0 "[ . 1 . 2]" 1
368 1 23 ARG H 1 23 ARG QD 1.800 . 6.000 4.425 3.727 4.639 . 0 0 "[ . 1 . 2]" 1
369 1 23 ARG H 1 23 ARG HG2 1.800 . 4.000 3.001 2.406 3.781 . 0 0 "[ . 1 . 2]" 1
370 1 23 ARG H 1 23 ARG HG3 1.800 . 4.000 2.766 2.249 3.437 . 0 0 "[ . 1 . 2]" 1
371 1 23 ARG H 1 24 THR H 1.800 . 3.500 2.848 2.590 3.245 . 0 0 "[ . 1 . 2]" 1
372 1 23 ARG HA 1 24 THR H 1.800 . 4.000 2.807 2.622 2.968 . 0 0 "[ . 1 . 2]" 1
373 1 23 ARG HB2 1 24 THR H 1.800 . 5.000 4.223 4.048 4.355 . 0 0 "[ . 1 . 2]" 1
374 1 23 ARG HB3 1 24 THR H 1.800 . 5.000 4.509 4.380 4.593 . 0 0 "[ . 1 . 2]" 1
375 1 23 ARG HG2 1 24 THR H 1.800 . 6.000 5.012 4.624 5.633 . 0 0 "[ . 1 . 2]" 1
376 1 23 ARG HG3 1 24 THR H 1.800 . 6.000 4.889 4.613 5.154 . 0 0 "[ . 1 . 2]" 1
377 1 24 THR H 1 24 THR HA 1.800 . 3.000 2.951 2.929 2.961 . 0 0 "[ . 1 . 2]" 1
378 1 24 THR H 1 24 THR HB 1.800 . 3.000 2.865 2.644 3.021 0.021 2 0 "[ . 1 . 2]" 1
379 1 24 THR H 1 25 ASP H 1.800 . 5.000 4.048 2.012 4.353 . 0 0 "[ . 1 . 2]" 1
380 1 24 THR H 1 27 TYR H 1.800 . 5.000 4.102 3.847 4.258 . 0 0 "[ . 1 . 2]" 1
381 1 24 THR H 1 27 TYR HA 1.800 . 6.000 6.010 5.925 6.050 0.050 7 0 "[ . 1 . 2]" 1
382 1 24 THR H 1 27 TYR HB2 1.800 . 5.000 3.266 3.037 3.873 . 0 0 "[ . 1 . 2]" 1
383 1 24 THR H 1 27 TYR HB3 1.800 . 5.000 4.149 3.318 4.863 . 0 0 "[ . 1 . 2]" 1
384 1 24 THR HA 1 25 ASP H 1.800 . 3.500 2.214 2.138 3.373 . 0 0 "[ . 1 . 2]" 1
385 1 24 THR HA 1 26 ASP H 1.800 . 4.000 3.569 3.327 3.840 . 0 0 "[ . 1 . 2]" 1
386 1 24 THR HA 1 27 TYR H 1.800 . 5.000 4.415 4.225 4.864 . 0 0 "[ . 1 . 2]" 1
387 1 24 THR HB 1 25 ASP H 1.800 . 5.000 4.156 3.359 4.449 . 0 0 "[ . 1 . 2]" 1
388 1 24 THR HB 1 26 ASP H 1.800 . 4.000 3.336 2.419 3.996 . 0 0 "[ . 1 . 2]" 1
389 1 24 THR HB 1 27 TYR H 1.800 . 4.000 2.611 2.031 3.166 . 0 0 "[ . 1 . 2]" 1
390 1 25 ASP H 1 25 ASP HA 1.800 . 3.000 2.748 2.301 2.837 . 0 0 "[ . 1 . 2]" 1
391 1 25 ASP H 1 25 ASP HB2 1.800 . 4.000 2.781 2.169 3.586 . 0 0 "[ . 1 . 2]" 1
392 1 25 ASP H 1 25 ASP HB3 1.800 . 4.000 3.039 2.392 3.736 . 0 0 "[ . 1 . 2]" 1
393 1 25 ASP H 1 26 ASP H 1.800 . 3.000 2.785 2.573 3.005 0.005 6 0 "[ . 1 . 2]" 1
394 1 25 ASP H 1 26 ASP HA 1.800 . 6.000 5.334 5.189 5.452 . 0 0 "[ . 1 . 2]" 1
395 1 25 ASP H 1 27 TYR H 1.800 . 5.000 4.252 3.630 4.702 . 0 0 "[ . 1 . 2]" 1
396 1 25 ASP HA 1 26 ASP H 1.800 . 4.000 3.437 3.247 3.542 . 0 0 "[ . 1 . 2]" 1
397 1 25 ASP HA 1 27 TYR H 1.800 . 5.000 3.999 3.541 4.681 . 0 0 "[ . 1 . 2]" 1
398 1 25 ASP HA 1 29 TYR H 1.800 . 5.000 4.828 4.461 5.010 0.010 18 0 "[ . 1 . 2]" 1
399 1 25 ASP HB2 1 26 ASP H 1.800 . 4.500 3.657 2.615 4.294 . 0 0 "[ . 1 . 2]" 1
400 1 25 ASP HB3 1 26 ASP H 1.800 . 4.500 3.659 2.712 4.515 0.015 5 0 "[ . 1 . 2]" 1
401 1 26 ASP H 1 26 ASP HA 1.800 . 3.000 2.870 2.781 2.945 . 0 0 "[ . 1 . 2]" 1
402 1 26 ASP H 1 26 ASP HB2 1.800 . 4.000 2.319 2.094 2.954 . 0 0 "[ . 1 . 2]" 1
403 1 26 ASP H 1 26 ASP HB3 1.800 . 4.000 3.139 2.392 3.617 . 0 0 "[ . 1 . 2]" 1
404 1 26 ASP H 1 27 TYR H 1.800 . 3.000 2.461 2.102 2.718 . 0 0 "[ . 1 . 2]" 1
405 1 26 ASP H 1 27 TYR HA 1.800 . 6.000 5.093 4.818 5.319 . 0 0 "[ . 1 . 2]" 1
406 1 26 ASP H 1 27 TYR HB2 1.800 . 6.000 4.296 3.902 4.706 . 0 0 "[ . 1 . 2]" 1
407 1 26 ASP H 1 27 TYR HB3 1.800 . 6.000 5.596 4.931 5.882 . 0 0 "[ . 1 . 2]" 1
408 1 26 ASP H 1 28 PHE HB2 1.800 . 6.000 5.693 5.239 5.985 . 0 0 "[ . 1 . 2]" 1
409 1 26 ASP H 1 28 PHE HB3 1.800 . 6.000 5.408 4.785 5.977 . 0 0 "[ . 1 . 2]" 1
410 1 26 ASP HA 1 27 TYR H 1.800 . 4.000 3.474 3.366 3.564 . 0 0 "[ . 1 . 2]" 1
411 1 26 ASP HA 1 28 PHE H 1.800 . 5.000 4.069 3.562 4.748 . 0 0 "[ . 1 . 2]" 1
412 1 26 ASP HA 1 29 TYR H 1.800 . 4.000 3.788 3.388 3.943 . 0 0 "[ . 1 . 2]" 1
413 1 26 ASP HA 1 29 TYR HB2 1.800 . 5.500 3.626 2.872 4.581 . 0 0 "[ . 1 . 2]" 1
414 1 26 ASP HA 1 29 TYR HB3 1.800 . 5.500 4.504 3.150 5.385 . 0 0 "[ . 1 . 2]" 1
415 1 26 ASP HA 1 30 GLU H 1.800 . 5.000 4.719 4.287 4.999 . 0 0 "[ . 1 . 2]" 1
416 1 26 ASP HB2 1 27 TYR H 1.800 . 4.000 3.471 2.735 3.954 . 0 0 "[ . 1 . 2]" 1
417 1 26 ASP HB3 1 27 TYR H 1.800 . 4.000 3.296 2.494 3.854 . 0 0 "[ . 1 . 2]" 1
418 1 27 TYR H 1 27 TYR HA 1.800 . 3.000 2.868 2.734 2.942 . 0 0 "[ . 1 . 2]" 1
419 1 27 TYR H 1 27 TYR HB2 1.800 . 4.000 2.184 2.082 2.594 . 0 0 "[ . 1 . 2]" 1
420 1 27 TYR H 1 27 TYR HB3 1.800 . 4.000 3.262 2.711 3.515 . 0 0 "[ . 1 . 2]" 1
421 1 27 TYR H 1 28 PHE H 1.800 . 3.000 2.530 2.184 2.953 . 0 0 "[ . 1 . 2]" 1
422 1 27 TYR H 1 28 PHE HA 1.800 . 6.000 5.087 4.779 5.495 . 0 0 "[ . 1 . 2]" 1
423 1 27 TYR H 1 28 PHE HB2 1.800 . 6.000 4.719 4.329 5.199 . 0 0 "[ . 1 . 2]" 1
424 1 27 TYR H 1 28 PHE HB3 1.800 . 6.000 4.760 4.224 5.333 . 0 0 "[ . 1 . 2]" 1
425 1 27 TYR H 1 29 TYR H 1.800 . 5.000 4.522 4.198 4.975 . 0 0 "[ . 1 . 2]" 1
426 1 27 TYR H 1 30 GLU H 1.800 . 6.000 4.920 4.674 5.150 . 0 0 "[ . 1 . 2]" 1
427 1 27 TYR HA 1 28 PHE H 1.800 . 4.000 3.446 3.235 3.575 . 0 0 "[ . 1 . 2]" 1
428 1 27 TYR HA 1 29 TYR H 1.800 . 5.000 4.713 4.365 5.005 0.005 1 0 "[ . 1 . 2]" 1
429 1 27 TYR HA 1 30 GLU H 1.800 . 4.000 3.466 3.217 3.723 . 0 0 "[ . 1 . 2]" 1
430 1 27 TYR HA 1 30 GLU QB 1.800 . 4.000 2.451 2.144 3.040 . 0 0 "[ . 1 . 2]" 1
431 1 27 TYR HA 1 31 CYS H 1.800 . 5.000 4.930 4.639 5.056 0.056 7 0 "[ . 1 . 2]" 1
432 1 27 TYR HB2 1 28 PHE H 1.800 . 4.000 3.409 2.756 4.011 0.011 9 0 "[ . 1 . 2]" 1
433 1 27 TYR HB3 1 28 PHE H 1.800 . 4.000 3.303 2.669 3.960 . 0 0 "[ . 1 . 2]" 1
434 1 28 PHE H 1 28 PHE HA 1.800 . 3.000 2.827 2.723 2.930 . 0 0 "[ . 1 . 2]" 1
435 1 28 PHE H 1 28 PHE HB2 1.800 . 4.000 2.555 2.165 3.018 . 0 0 "[ . 1 . 2]" 1
436 1 28 PHE H 1 28 PHE HB3 1.800 . 4.000 2.571 2.302 2.995 . 0 0 "[ . 1 . 2]" 1
437 1 28 PHE H 1 28 PHE QD 1.800 . 5.000 4.072 3.983 4.150 . 0 0 "[ . 1 . 2]" 1
438 1 28 PHE H 1 28 PHE QE 1.800 . 6.000 6.106 6.005 6.168 0.168 16 0 "[ . 1 . 2]" 1
439 1 28 PHE H 1 29 TYR H 1.800 . 3.000 2.742 2.236 3.038 0.038 17 0 "[ . 1 . 2]" 1
440 1 28 PHE H 1 29 TYR QB 1.800 . 6.000 4.415 4.023 4.700 . 0 0 "[ . 1 . 2]" 1
441 1 28 PHE H 1 30 GLU H 1.800 . 5.000 3.781 3.409 4.149 . 0 0 "[ . 1 . 2]" 1
442 1 28 PHE H 1 31 CYS H 1.800 . 6.000 4.975 4.814 5.197 . 0 0 "[ . 1 . 2]" 1
443 1 28 PHE HA 1 29 TYR H 1.800 . 4.000 3.566 3.541 3.577 . 0 0 "[ . 1 . 2]" 1
444 1 28 PHE HA 1 30 GLU H 1.800 . 5.000 4.054 3.691 4.494 . 0 0 "[ . 1 . 2]" 1
445 1 28 PHE HA 1 31 CYS H 1.800 . 4.000 3.559 3.278 3.848 . 0 0 "[ . 1 . 2]" 1
446 1 28 PHE HA 1 31 CYS HB2 1.800 . 4.500 3.828 3.126 4.525 0.025 17 0 "[ . 1 . 2]" 1
447 1 28 PHE HA 1 31 CYS HB3 1.800 . 4.500 3.452 2.757 4.225 . 0 0 "[ . 1 . 2]" 1
448 1 28 PHE HA 1 32 CYS H 1.800 . 5.000 4.908 4.368 5.047 0.047 2 0 "[ . 1 . 2]" 1
449 1 28 PHE HB2 1 29 TYR H 1.800 . 4.000 3.650 3.229 3.985 . 0 0 "[ . 1 . 2]" 1
450 1 28 PHE HB3 1 29 TYR H 1.800 . 4.000 2.288 2.027 2.643 . 0 0 "[ . 1 . 2]" 1
451 1 28 PHE QD 1 31 CYS H 1.800 . 6.000 4.775 4.115 5.054 . 0 0 "[ . 1 . 2]" 1
452 1 28 PHE QE 1 31 CYS H 1.800 . 6.000 5.942 5.808 6.041 0.041 6 0 "[ . 1 . 2]" 1
453 1 29 TYR H 1 29 TYR HA 1.800 . 3.000 2.796 2.728 2.861 . 0 0 "[ . 1 . 2]" 1
454 1 29 TYR H 1 29 TYR HB2 1.800 . 4.000 2.221 2.076 2.463 . 0 0 "[ . 1 . 2]" 1
455 1 29 TYR H 1 29 TYR HB3 1.800 . 4.000 3.214 2.594 3.586 . 0 0 "[ . 1 . 2]" 1
456 1 29 TYR H 1 30 GLU H 1.800 . 3.000 2.688 2.470 2.875 . 0 0 "[ . 1 . 2]" 1
457 1 29 TYR H 1 31 CYS H 1.800 . 5.000 4.150 4.022 4.326 . 0 0 "[ . 1 . 2]" 1
458 1 29 TYR HA 1 30 GLU H 1.800 . 4.000 3.481 3.385 3.550 . 0 0 "[ . 1 . 2]" 1
459 1 29 TYR HA 1 31 CYS H 1.800 . 5.000 3.772 3.471 4.053 . 0 0 "[ . 1 . 2]" 1
460 1 29 TYR HA 1 32 CYS H 1.800 . 4.000 3.292 2.972 3.570 . 0 0 "[ . 1 . 2]" 1
461 1 29 TYR HA 1 32 CYS HB2 1.800 . 4.500 3.173 2.589 3.907 . 0 0 "[ . 1 . 2]" 1
462 1 29 TYR HA 1 32 CYS HB3 1.800 . 4.500 3.854 3.220 4.317 . 0 0 "[ . 1 . 2]" 1
463 1 29 TYR HA 1 33 THR H 1.800 . 5.000 4.747 4.399 5.011 0.011 1 0 "[ . 1 . 2]" 1
464 1 29 TYR HB2 1 30 GLU H 1.800 . 4.000 3.419 2.956 3.978 . 0 0 "[ . 1 . 2]" 1
465 1 29 TYR HB2 1 32 CYS H 1.800 . 6.000 5.777 5.452 6.039 0.039 20 0 "[ . 1 . 2]" 1
466 1 29 TYR HB3 1 30 GLU H 1.800 . 4.000 3.258 2.719 3.875 . 0 0 "[ . 1 . 2]" 1
467 1 29 TYR HB3 1 32 CYS H 1.800 . 6.000 5.358 4.845 5.776 . 0 0 "[ . 1 . 2]" 1
468 1 30 GLU H 1 30 GLU HA 1.800 . 3.000 2.837 2.727 2.890 . 0 0 "[ . 1 . 2]" 1
469 1 30 GLU H 1 30 GLU HB2 1.800 . 4.000 2.235 2.081 2.547 . 0 0 "[ . 1 . 2]" 1
470 1 30 GLU H 1 30 GLU HB3 1.800 . 4.000 3.223 2.623 3.590 . 0 0 "[ . 1 . 2]" 1
471 1 30 GLU H 1 30 GLU HG2 1.800 . 5.000 4.006 2.086 4.675 . 0 0 "[ . 1 . 2]" 1
472 1 30 GLU H 1 30 GLU HG3 1.800 . 5.000 3.762 2.693 4.471 . 0 0 "[ . 1 . 2]" 1
473 1 30 GLU H 1 31 CYS H 1.800 . 3.000 2.565 2.385 2.837 . 0 0 "[ . 1 . 2]" 1
474 1 30 GLU H 1 31 CYS HB2 1.800 . 6.000 5.099 4.334 6.029 0.029 17 0 "[ . 1 . 2]" 1
475 1 30 GLU H 1 31 CYS HB3 1.800 . 6.000 4.778 4.492 5.282 . 0 0 "[ . 1 . 2]" 1
476 1 30 GLU H 1 32 CYS H 1.800 . 5.000 4.336 3.997 4.682 . 0 0 "[ . 1 . 2]" 1
477 1 30 GLU HA 1 31 CYS H 1.800 . 4.000 3.447 3.353 3.528 . 0 0 "[ . 1 . 2]" 1
478 1 30 GLU HA 1 32 CYS H 1.800 . 5.000 4.591 3.997 5.026 0.026 20 0 "[ . 1 . 2]" 1
479 1 30 GLU HA 1 33 THR H 1.800 . 4.500 3.712 3.434 3.923 . 0 0 "[ . 1 . 2]" 1
480 1 30 GLU QB 1 33 THR H 1.800 . 6.000 4.955 4.727 5.093 . 0 0 "[ . 1 . 2]" 1
481 1 30 GLU HB2 1 31 CYS H 1.800 . 4.000 3.472 2.699 3.938 . 0 0 "[ . 1 . 2]" 1
482 1 30 GLU HB3 1 31 CYS H 1.800 . 4.000 3.424 2.822 3.907 . 0 0 "[ . 1 . 2]" 1
483 1 30 GLU QG 1 33 THR H 1.800 . 6.000 5.227 4.543 5.902 . 0 0 "[ . 1 . 2]" 1
484 1 31 CYS H 1 31 CYS HA 1.800 . 3.000 2.890 2.853 2.932 . 0 0 "[ . 1 . 2]" 1
485 1 31 CYS H 1 31 CYS HB2 1.800 . 4.000 2.828 2.223 3.615 . 0 0 "[ . 1 . 2]" 1
486 1 31 CYS H 1 31 CYS HB3 1.800 . 4.000 2.462 2.351 2.982 . 0 0 "[ . 1 . 2]" 1
487 1 31 CYS H 1 32 CYS H 1.800 . 3.000 2.477 2.225 2.715 . 0 0 "[ . 1 . 2]" 1
488 1 31 CYS H 1 32 CYS HB2 1.800 . 6.000 4.410 4.110 4.747 . 0 0 "[ . 1 . 2]" 1
489 1 31 CYS H 1 32 CYS HB3 1.800 . 6.000 5.394 4.903 5.882 . 0 0 "[ . 1 . 2]" 1
490 1 31 CYS H 1 33 THR H 1.800 . 5.000 3.685 3.457 3.862 . 0 0 "[ . 1 . 2]" 1
491 1 31 CYS HA 1 32 CYS H 1.800 . 4.000 3.545 3.436 3.577 . 0 0 "[ . 1 . 2]" 1
492 1 31 CYS HA 1 33 THR H 1.800 . 6.000 3.641 3.445 3.887 . 0 0 "[ . 1 . 2]" 1
493 1 31 CYS QB 1 33 THR H 1.800 . 6.000 4.383 4.167 4.618 . 0 0 "[ . 1 . 2]" 1
494 1 31 CYS HB2 1 32 CYS H 1.800 . 5.000 3.842 3.415 4.226 . 0 0 "[ . 1 . 2]" 1
495 1 31 CYS HB3 1 32 CYS H 1.800 . 5.000 2.727 2.187 3.559 . 0 0 "[ . 1 . 2]" 1
496 1 32 CYS H 1 32 CYS HA 1.800 . 3.000 2.861 2.801 2.914 . 0 0 "[ . 1 . 2]" 1
497 1 32 CYS H 1 32 CYS HB2 1.800 . 4.000 2.166 2.062 2.320 . 0 0 "[ . 1 . 2]" 1
498 1 32 CYS H 1 32 CYS HB3 1.800 . 4.000 3.130 2.824 3.508 . 0 0 "[ . 1 . 2]" 1
499 1 32 CYS H 1 33 THR H 1.800 . 4.000 2.608 2.380 2.788 . 0 0 "[ . 1 . 2]" 1
500 1 32 CYS HA 1 33 THR H 1.800 . 4.000 3.312 3.205 3.419 . 0 0 "[ . 1 . 2]" 1
501 1 32 CYS HB2 1 33 THR H 1.800 . 4.000 3.899 3.473 4.039 0.039 3 0 "[ . 1 . 2]" 1
502 1 32 CYS HB3 1 33 THR H 1.800 . 4.000 3.664 3.277 4.018 0.018 13 0 "[ . 1 . 2]" 1
503 1 33 THR H 1 33 THR HA 1.800 . 3.000 2.861 2.770 2.957 . 0 0 "[ . 1 . 2]" 1
504 1 33 THR H 1 33 THR HB 1.800 . 3.500 3.031 2.787 3.499 . 0 0 "[ . 1 . 2]" 1
505 1 33 THR H 1 34 SER H 1.800 . 5.000 4.322 4.074 4.511 . 0 0 "[ . 1 . 2]" 1
506 1 33 THR H 1 34 SER HA 1.800 . 6.000 5.861 5.714 6.012 0.012 18 0 "[ . 1 . 2]" 1
507 1 33 THR H 1 37 THR MG 1.800 . 6.000 4.974 4.076 5.861 . 0 0 "[ . 1 . 2]" 1
508 1 33 THR H 1 38 PHE H 1.800 . 6.000 5.767 5.356 6.016 0.016 4 0 "[ . 1 . 2]" 1
509 1 33 THR H 1 38 PHE HA 1.800 . 6.000 5.585 4.810 6.027 0.027 17 0 "[ . 1 . 2]" 1
510 1 33 THR H 1 38 PHE QD 1.800 . 6.000 4.581 4.076 5.000 . 0 0 "[ . 1 . 2]" 1
511 1 33 THR H 1 38 PHE QE 1.800 . 6.000 5.402 4.127 6.022 0.022 3 0 "[ . 1 . 2]" 1
512 1 33 THR HA 1 34 SER H 1.800 . 3.000 2.864 2.537 3.022 0.022 5 0 "[ . 1 . 2]" 1
513 1 33 THR HB 1 34 SER H 1.800 . 3.000 2.133 1.808 2.637 . 0 0 "[ . 1 . 2]" 1
514 1 34 SER H 1 34 SER HA 1.800 . 3.000 2.665 2.299 2.877 . 0 0 "[ . 1 . 2]" 1
515 1 34 SER H 1 34 SER HB2 1.800 . 3.500 2.963 2.080 3.508 0.008 14 0 "[ . 1 . 2]" 1
516 1 34 SER H 1 34 SER HB3 1.800 . 3.500 2.855 2.067 3.432 . 0 0 "[ . 1 . 2]" 1
517 1 34 SER H 1 35 GLU H 1.800 . 5.000 4.403 3.569 4.651 . 0 0 "[ . 1 . 2]" 1
518 1 34 SER H 1 37 THR HB 1.800 . 6.000 4.707 3.764 6.002 0.002 12 0 "[ . 1 . 2]" 1
519 1 34 SER HA 1 35 GLU H 1.800 . 3.000 2.415 2.157 2.690 . 0 0 "[ . 1 . 2]" 1
520 1 34 SER HA 1 35 GLU HB2 1.800 . 6.000 4.789 4.265 5.746 . 0 0 "[ . 1 . 2]" 1
521 1 34 SER HA 1 35 GLU HB3 1.800 . 6.000 5.305 4.535 5.956 . 0 0 "[ . 1 . 2]" 1
522 1 34 SER HA 1 36 SER H 1.800 . 5.000 4.193 3.213 4.819 . 0 0 "[ . 1 . 2]" 1
523 1 34 SER HA 1 37 THR H 1.800 . 6.000 4.885 4.207 5.578 . 0 0 "[ . 1 . 2]" 1
524 1 34 SER QB 1 37 THR H 1.800 . 5.000 3.242 2.583 3.967 . 0 0 "[ . 1 . 2]" 1
525 1 34 SER HB2 1 35 GLU H 1.800 . 4.500 3.482 1.961 4.521 0.021 4 0 "[ . 1 . 2]" 1
526 1 34 SER HB2 1 36 SER H 1.800 . 5.000 3.943 2.033 4.992 . 0 0 "[ . 1 . 2]" 1
527 1 34 SER HB3 1 35 GLU H 1.800 . 4.500 3.631 2.299 4.532 0.032 12 0 "[ . 1 . 2]" 1
528 1 34 SER HB3 1 36 SER H 1.800 . 5.000 3.888 2.489 4.971 . 0 0 "[ . 1 . 2]" 1
529 1 35 GLU H 1 35 GLU HA 1.800 . 3.000 2.839 2.757 2.954 . 0 0 "[ . 1 . 2]" 1
530 1 35 GLU H 1 35 GLU HB2 1.800 . 4.000 2.574 2.151 3.589 . 0 0 "[ . 1 . 2]" 1
531 1 35 GLU H 1 35 GLU HB3 1.800 . 4.000 3.030 2.207 3.626 . 0 0 "[ . 1 . 2]" 1
532 1 35 GLU H 1 36 SER H 1.800 . 3.000 2.596 2.077 2.864 . 0 0 "[ . 1 . 2]" 1
533 1 35 GLU H 1 37 THR H 1.800 . 5.000 4.432 3.820 4.923 . 0 0 "[ . 1 . 2]" 1
534 1 35 GLU H 1 38 PHE H 1.800 . 6.000 4.772 4.398 5.051 . 0 0 "[ . 1 . 2]" 1
535 1 35 GLU HA 1 36 SER H 1.800 . 4.000 3.509 3.302 3.576 . 0 0 "[ . 1 . 2]" 1
536 1 35 GLU HA 1 37 THR H 1.800 . 5.000 4.528 4.010 4.997 . 0 0 "[ . 1 . 2]" 1
537 1 35 GLU HA 1 38 PHE H 1.800 . 4.000 3.299 2.954 3.639 . 0 0 "[ . 1 . 2]" 1
538 1 35 GLU HA 1 38 PHE HB2 1.800 . 4.500 2.431 2.197 3.152 . 0 0 "[ . 1 . 2]" 1
539 1 35 GLU HA 1 38 PHE HB3 1.800 . 4.500 3.051 2.259 3.631 . 0 0 "[ . 1 . 2]" 1
540 1 35 GLU HA 1 38 PHE QD 1.800 . 6.000 3.651 2.255 4.220 . 0 0 "[ . 1 . 2]" 1
541 1 35 GLU HA 1 38 PHE QE 1.800 . 6.000 5.704 4.491 6.013 0.013 12 0 "[ . 1 . 2]" 1
542 1 35 GLU HA 1 39 LYS H 1.800 . 5.000 4.270 3.755 4.927 . 0 0 "[ . 1 . 2]" 1
543 1 35 GLU QB 1 37 THR H 1.800 . 6.000 4.996 4.454 5.511 . 0 0 "[ . 1 . 2]" 1
544 1 35 GLU QB 1 38 PHE H 1.800 . 6.000 4.763 4.391 5.120 . 0 0 "[ . 1 . 2]" 1
545 1 35 GLU HB2 1 36 SER H 1.800 . 4.000 3.401 2.379 4.003 0.003 15 0 "[ . 1 . 2]" 1
546 1 35 GLU HB3 1 36 SER H 1.800 . 4.000 3.266 2.558 4.005 0.005 12 0 "[ . 1 . 2]" 1
547 1 36 SER H 1 36 SER HA 1.800 . 3.000 2.791 2.699 2.916 . 0 0 "[ . 1 . 2]" 1
548 1 36 SER H 1 37 THR H 1.800 . 3.000 2.844 2.557 3.004 0.004 18 0 "[ . 1 . 2]" 1
549 1 36 SER H 1 37 THR HA 1.800 . 6.000 5.414 5.145 5.533 . 0 0 "[ . 1 . 2]" 1
550 1 36 SER H 1 38 PHE H 1.800 . 6.000 3.944 3.310 4.337 . 0 0 "[ . 1 . 2]" 1
551 1 36 SER H 1 38 PHE HB2 1.800 . 6.000 4.923 4.277 5.210 . 0 0 "[ . 1 . 2]" 1
552 1 36 SER H 1 38 PHE HB3 1.800 . 6.000 5.480 4.571 6.019 0.019 5 0 "[ . 1 . 2]" 1
553 1 36 SER H 1 39 LYS H 1.800 . 6.000 4.987 4.556 5.241 . 0 0 "[ . 1 . 2]" 1
554 1 36 SER HA 1 37 THR H 1.800 . 4.000 3.558 3.509 3.577 . 0 0 "[ . 1 . 2]" 1
555 1 36 SER HA 1 38 PHE H 1.800 . 5.000 4.265 3.737 4.609 . 0 0 "[ . 1 . 2]" 1
556 1 36 SER HA 1 39 LYS H 1.800 . 4.000 3.781 3.369 3.973 . 0 0 "[ . 1 . 2]" 1
557 1 36 SER HA 1 39 LYS QB 1.800 . 6.000 3.400 2.829 4.149 . 0 0 "[ . 1 . 2]" 1
558 1 36 SER HA 1 40 LYS H 1.800 . 5.000 4.676 3.959 5.005 0.005 11 0 "[ . 1 . 2]" 1
559 1 37 THR H 1 37 THR HA 1.800 . 3.000 2.832 2.773 2.910 . 0 0 "[ . 1 . 2]" 1
560 1 37 THR H 1 37 THR HB 1.800 . 3.500 2.962 2.399 3.484 . 0 0 "[ . 1 . 2]" 1
561 1 37 THR H 1 37 THR MG 1.800 . 5.000 3.464 2.904 3.755 . 0 0 "[ . 1 . 2]" 1
562 1 37 THR H 1 38 PHE H 1.800 . 3.000 2.591 2.295 2.848 . 0 0 "[ . 1 . 2]" 1
563 1 37 THR H 1 39 LYS H 1.800 . 5.000 4.429 3.973 4.909 . 0 0 "[ . 1 . 2]" 1
564 1 37 THR HA 1 38 PHE H 1.800 . 4.000 3.498 3.398 3.558 . 0 0 "[ . 1 . 2]" 1
565 1 37 THR HA 1 39 LYS H 1.800 . 5.000 4.445 3.862 4.945 . 0 0 "[ . 1 . 2]" 1
566 1 37 THR HA 1 40 LYS H 1.800 . 4.000 3.376 2.953 3.671 . 0 0 "[ . 1 . 2]" 1
567 1 37 THR HA 1 40 LYS HB2 1.800 . 4.000 2.694 2.198 3.710 . 0 0 "[ . 1 . 2]" 1
568 1 37 THR HA 1 40 LYS HB3 1.800 . 4.000 3.400 2.416 3.950 . 0 0 "[ . 1 . 2]" 1
569 1 37 THR HA 1 41 CYS H 1.800 . 5.000 4.321 3.329 4.808 . 0 0 "[ . 1 . 2]" 1
570 1 37 THR HB 1 38 PHE H 1.800 . 3.500 3.030 2.577 3.486 . 0 0 "[ . 1 . 2]" 1
571 1 37 THR HB 1 41 CYS H 1.800 . 6.000 5.406 4.753 5.916 . 0 0 "[ . 1 . 2]" 1
572 1 37 THR MG 1 38 PHE H 1.800 . 5.000 3.992 3.542 4.315 . 0 0 "[ . 1 . 2]" 1
573 1 38 PHE H 1 38 PHE HA 1.800 . 3.000 2.809 2.737 2.891 . 0 0 "[ . 1 . 2]" 1
574 1 38 PHE H 1 38 PHE HB2 1.800 . 4.000 2.199 2.059 2.522 . 0 0 "[ . 1 . 2]" 1
575 1 38 PHE H 1 38 PHE HB3 1.800 . 4.000 2.971 2.610 3.395 . 0 0 "[ . 1 . 2]" 1
576 1 38 PHE H 1 39 LYS H 1.800 . 3.000 2.766 2.448 2.944 . 0 0 "[ . 1 . 2]" 1
577 1 38 PHE H 1 40 LYS H 1.800 . 5.000 4.061 3.540 4.392 . 0 0 "[ . 1 . 2]" 1
578 1 38 PHE HA 1 39 LYS H 1.800 . 4.000 3.553 3.496 3.577 . 0 0 "[ . 1 . 2]" 1
579 1 38 PHE HA 1 40 LYS H 1.800 . 5.000 4.367 3.742 4.996 . 0 0 "[ . 1 . 2]" 1
580 1 38 PHE HA 1 41 CYS H 1.800 . 4.000 3.687 3.268 4.008 0.008 6 0 "[ . 1 . 2]" 1
581 1 38 PHE HA 1 41 CYS HB2 1.800 . 5.000 3.360 2.575 4.583 . 0 0 "[ . 1 . 2]" 1
582 1 38 PHE HA 1 41 CYS HB3 1.800 . 5.000 3.933 3.309 4.729 . 0 0 "[ . 1 . 2]" 1
583 1 38 PHE HA 1 42 GLN H 1.800 . 5.000 4.698 4.234 5.004 0.004 5 0 "[ . 1 . 2]" 1
584 1 38 PHE HB2 1 39 LYS H 1.800 . 4.000 3.427 2.966 3.782 . 0 0 "[ . 1 . 2]" 1
585 1 38 PHE HB2 1 40 LYS H 1.800 . 6.000 5.462 4.990 5.838 . 0 0 "[ . 1 . 2]" 1
586 1 38 PHE HB3 1 39 LYS H 1.800 . 4.000 2.521 2.127 3.061 . 0 0 "[ . 1 . 2]" 1
587 1 38 PHE HB3 1 40 LYS H 1.800 . 6.000 4.880 4.365 5.244 . 0 0 "[ . 1 . 2]" 1
588 1 39 LYS H 1 39 LYS HA 1.800 . 3.000 2.825 2.722 2.928 . 0 0 "[ . 1 . 2]" 1
589 1 39 LYS H 1 39 LYS HB2 1.800 . 4.000 2.281 2.065 2.723 . 0 0 "[ . 1 . 2]" 1
590 1 39 LYS H 1 39 LYS HB3 1.800 . 4.000 3.169 2.624 3.595 . 0 0 "[ . 1 . 2]" 1
591 1 39 LYS H 1 40 LYS H 1.800 . 3.000 2.646 2.232 2.904 . 0 0 "[ . 1 . 2]" 1
592 1 39 LYS H 1 41 CYS H 1.800 . 5.000 4.271 3.668 4.682 . 0 0 "[ . 1 . 2]" 1
593 1 39 LYS H 1 42 GLN H 1.800 . 6.000 5.060 4.593 5.505 . 0 0 "[ . 1 . 2]" 1
594 1 39 LYS HA 1 40 LYS H 1.800 . 4.000 3.517 3.413 3.579 . 0 0 "[ . 1 . 2]" 1
595 1 39 LYS HA 1 41 CYS H 1.800 . 5.000 4.351 3.508 4.966 . 0 0 "[ . 1 . 2]" 1
596 1 39 LYS HA 1 42 GLN H 1.800 . 4.000 3.537 2.915 3.879 . 0 0 "[ . 1 . 2]" 1
597 1 39 LYS HA 1 43 THR H 1.800 . 5.000 4.407 3.322 4.911 . 0 0 "[ . 1 . 2]" 1
598 1 39 LYS HB2 1 40 LYS H 1.800 . 4.000 3.306 2.587 4.006 0.006 19 0 "[ . 1 . 2]" 1
599 1 39 LYS HB3 1 40 LYS H 1.800 . 4.000 3.087 2.487 3.868 . 0 0 "[ . 1 . 2]" 1
600 1 40 LYS H 1 40 LYS HA 1.800 . 3.000 2.815 2.710 2.921 . 0 0 "[ . 1 . 2]" 1
601 1 40 LYS H 1 40 LYS HB2 1.800 . 4.000 2.242 2.070 2.655 . 0 0 "[ . 1 . 2]" 1
602 1 40 LYS H 1 40 LYS HB3 1.800 . 4.000 3.089 2.425 3.559 . 0 0 "[ . 1 . 2]" 1
603 1 40 LYS H 1 41 CYS H 1.800 . 3.000 2.704 2.367 3.010 0.010 20 0 "[ . 1 . 2]" 1
604 1 40 LYS H 1 41 CYS QB 1.800 . 6.000 4.391 4.107 4.696 . 0 0 "[ . 1 . 2]" 1
605 1 40 LYS H 1 42 GLN H 1.800 . 5.000 4.252 3.576 4.818 . 0 0 "[ . 1 . 2]" 1
606 1 40 LYS H 1 43 THR H 1.800 . 6.000 4.823 4.598 5.226 . 0 0 "[ . 1 . 2]" 1
607 1 40 LYS HA 1 41 CYS H 1.800 . 4.000 3.536 3.437 3.572 . 0 0 "[ . 1 . 2]" 1
608 1 40 LYS HA 1 42 GLN H 1.800 . 5.000 4.424 3.656 5.014 0.014 19 0 "[ . 1 . 2]" 1
609 1 40 LYS HA 1 43 THR H 1.800 . 4.000 3.458 2.970 3.963 . 0 0 "[ . 1 . 2]" 1
610 1 40 LYS HA 1 43 THR HB 1.800 . 4.500 3.024 2.203 3.837 . 0 0 "[ . 1 . 2]" 1
611 1 40 LYS HA 1 43 THR MG 1.800 . 6.000 4.141 3.596 4.834 . 0 0 "[ . 1 . 2]" 1
612 1 40 LYS HA 1 44 MET H 1.800 . 5.000 4.424 3.966 4.953 . 0 0 "[ . 1 . 2]" 1
613 1 40 LYS HB2 1 41 CYS H 1.800 . 4.000 3.358 2.784 3.882 . 0 0 "[ . 1 . 2]" 1
614 1 40 LYS HB3 1 41 CYS H 1.800 . 4.000 2.849 2.310 3.811 . 0 0 "[ . 1 . 2]" 1
615 1 41 CYS H 1 41 CYS HA 1.800 . 3.000 2.814 2.704 2.931 . 0 0 "[ . 1 . 2]" 1
616 1 41 CYS H 1 41 CYS HB2 1.800 . 4.000 2.244 2.071 2.892 . 0 0 "[ . 1 . 2]" 1
617 1 41 CYS H 1 41 CYS HB3 1.800 . 4.000 2.997 2.231 3.441 . 0 0 "[ . 1 . 2]" 1
618 1 41 CYS H 1 42 GLN H 1.800 . 3.000 2.725 2.347 2.942 . 0 0 "[ . 1 . 2]" 1
619 1 41 CYS H 1 42 GLN HA 1.800 . 6.000 5.319 4.998 5.503 . 0 0 "[ . 1 . 2]" 1
620 1 41 CYS H 1 43 THR H 1.800 . 5.000 4.063 3.479 4.479 . 0 0 "[ . 1 . 2]" 1
621 1 41 CYS HA 1 42 GLN H 1.800 . 4.000 3.532 3.396 3.576 . 0 0 "[ . 1 . 2]" 1
622 1 41 CYS HA 1 43 THR H 1.800 . 5.000 4.275 3.844 4.884 . 0 0 "[ . 1 . 2]" 1
623 1 41 CYS HA 1 44 MET H 1.800 . 4.000 3.479 3.062 3.821 . 0 0 "[ . 1 . 2]" 1
624 1 41 CYS HA 1 45 LEU H 1.800 . 5.000 4.496 3.804 5.001 0.001 8 0 "[ . 1 . 2]" 1
625 1 41 CYS HB2 1 42 GLN H 1.800 . 4.000 3.448 2.822 4.026 0.026 12 0 "[ . 1 . 2]" 1
626 1 41 CYS HB3 1 42 GLN H 1.800 . 4.000 2.739 2.128 3.362 . 0 0 "[ . 1 . 2]" 1
627 1 42 GLN H 1 42 GLN HA 1.800 . 3.000 2.831 2.704 2.927 . 0 0 "[ . 1 . 2]" 1
628 1 42 GLN H 1 42 GLN HB2 1.800 . 4.000 2.287 2.084 2.533 . 0 0 "[ . 1 . 2]" 1
629 1 42 GLN H 1 42 GLN HB3 1.800 . 4.000 3.094 2.624 3.611 . 0 0 "[ . 1 . 2]" 1
630 1 42 GLN H 1 42 GLN QG 1.800 . 5.000 3.492 2.276 4.044 . 0 0 "[ . 1 . 2]" 1
631 1 42 GLN H 1 43 THR H 1.800 . 3.000 2.605 2.214 2.948 . 0 0 "[ . 1 . 2]" 1
632 1 42 GLN H 1 43 THR HA 1.800 . 6.000 5.225 4.897 5.508 . 0 0 "[ . 1 . 2]" 1
633 1 42 GLN H 1 43 THR HB 1.800 . 6.000 5.031 4.476 5.437 . 0 0 "[ . 1 . 2]" 1
634 1 42 GLN H 1 44 MET H 1.800 . 5.000 4.067 3.705 4.427 . 0 0 "[ . 1 . 2]" 1
635 1 42 GLN H 1 45 LEU H 1.800 . 6.000 4.799 4.515 5.112 . 0 0 "[ . 1 . 2]" 1
636 1 42 GLN H 1 45 LEU MD1 1.800 . 6.000 4.316 3.744 6.024 0.024 19 0 "[ . 1 . 2]" 1
637 1 42 GLN HA 1 43 THR H 1.800 . 4.000 3.512 3.450 3.573 . 0 0 "[ . 1 . 2]" 1
638 1 42 GLN HA 1 44 MET H 1.800 . 5.000 4.189 3.850 4.649 . 0 0 "[ . 1 . 2]" 1
639 1 42 GLN HA 1 45 LEU H 1.800 . 4.000 3.376 3.118 3.778 . 0 0 "[ . 1 . 2]" 1
640 1 42 GLN HA 1 45 LEU HB2 1.800 . 4.500 2.617 2.258 3.968 . 0 0 "[ . 1 . 2]" 1
641 1 42 GLN HA 1 45 LEU HB3 1.800 . 4.500 4.021 2.251 4.514 0.014 17 0 "[ . 1 . 2]" 1
642 1 42 GLN HA 1 45 LEU MD1 1.800 . 6.000 2.495 2.077 4.604 . 0 0 "[ . 1 . 2]" 1
643 1 42 GLN HA 1 45 LEU MD2 1.800 . 6.000 4.593 2.897 5.058 . 0 0 "[ . 1 . 2]" 1
644 1 42 GLN HA 1 45 LEU HG 1.800 . 4.000 3.700 2.888 4.012 0.012 6 0 "[ . 1 . 2]" 1
645 1 42 GLN HA 1 46 HIS H 1.800 . 5.000 4.473 2.726 4.982 . 0 0 "[ . 1 . 2]" 1
646 1 42 GLN HB2 1 43 THR H 1.800 . 4.000 3.406 2.467 4.018 0.018 20 0 "[ . 1 . 2]" 1
647 1 42 GLN HB3 1 43 THR H 1.800 . 4.000 3.055 2.407 3.861 . 0 0 "[ . 1 . 2]" 1
648 1 42 GLN QG 1 43 THR H 1.800 . 5.000 4.195 3.688 4.673 . 0 0 "[ . 1 . 2]" 1
649 1 43 THR H 1 43 THR HA 1.800 . 3.000 2.843 2.753 2.903 . 0 0 "[ . 1 . 2]" 1
650 1 43 THR H 1 43 THR HB 1.800 . 3.000 2.686 2.371 2.954 . 0 0 "[ . 1 . 2]" 1
651 1 43 THR H 1 43 THR MG 1.800 . 5.000 3.715 3.615 3.761 . 0 0 "[ . 1 . 2]" 1
652 1 43 THR H 1 44 MET H 1.800 . 3.000 2.560 2.378 2.809 . 0 0 "[ . 1 . 2]" 1
653 1 43 THR H 1 44 MET HA 1.800 . 6.000 5.207 5.052 5.412 . 0 0 "[ . 1 . 2]" 1
654 1 43 THR H 1 44 MET HB2 1.800 . 6.000 4.558 4.234 5.209 . 0 0 "[ . 1 . 2]" 1
655 1 43 THR H 1 44 MET HB3 1.800 . 6.000 5.690 5.132 6.014 0.014 17 0 "[ . 1 . 2]" 1
656 1 43 THR H 1 45 LEU H 1.800 . 5.000 3.950 3.586 4.345 . 0 0 "[ . 1 . 2]" 1
657 1 43 THR H 1 46 HIS H 1.800 . 6.000 5.048 4.373 5.356 . 0 0 "[ . 1 . 2]" 1
658 1 43 THR HA 1 44 MET H 1.800 . 4.000 3.509 3.463 3.552 . 0 0 "[ . 1 . 2]" 1
659 1 43 THR HA 1 45 LEU H 1.800 . 5.000 4.151 3.595 4.763 . 0 0 "[ . 1 . 2]" 1
660 1 43 THR HA 1 46 HIS H 1.800 . 4.000 3.731 3.329 4.023 0.023 19 0 "[ . 1 . 2]" 1
661 1 43 THR HA 1 47 GLN H 1.800 . 6.000 3.781 3.101 4.670 . 0 0 "[ . 1 . 2]" 1
662 1 43 THR HA 1 47 GLN QG 1.800 . 6.000 4.983 3.298 5.999 . 0 0 "[ . 1 . 2]" 1
663 1 43 THR HB 1 44 MET H 1.800 . 3.000 2.804 2.555 3.005 0.005 8 0 "[ . 1 . 2]" 1
664 1 43 THR HB 1 45 LEU H 1.800 . 6.000 4.931 4.623 5.309 . 0 0 "[ . 1 . 2]" 1
665 1 43 THR HB 1 46 HIS H 1.800 . 6.000 5.722 5.411 5.982 . 0 0 "[ . 1 . 2]" 1
666 1 43 THR HB 1 47 GLN H 1.800 . 6.000 5.511 5.031 6.003 0.003 12 0 "[ . 1 . 2]" 1
667 1 43 THR MG 1 44 MET H 1.800 . 5.000 3.818 3.252 4.129 . 0 0 "[ . 1 . 2]" 1
668 1 43 THR MG 1 45 LEU H 1.800 . 6.000 5.028 4.614 5.448 . 0 0 "[ . 1 . 2]" 1
669 1 43 THR MG 1 46 HIS H 1.800 . 6.000 4.774 4.511 5.422 . 0 0 "[ . 1 . 2]" 1
670 1 44 MET H 1 44 MET HA 1.800 . 3.000 2.885 2.846 2.948 . 0 0 "[ . 1 . 2]" 1
671 1 44 MET H 1 44 MET HB2 1.800 . 4.000 2.258 2.112 2.588 . 0 0 "[ . 1 . 2]" 1
672 1 44 MET H 1 44 MET HB3 1.800 . 4.000 3.234 2.533 3.560 . 0 0 "[ . 1 . 2]" 1
673 1 44 MET H 1 44 MET QG 1.800 . 4.000 3.419 2.632 4.016 0.016 16 0 "[ . 1 . 2]" 1
674 1 44 MET H 1 45 LEU H 1.800 . 3.000 2.446 2.239 2.638 . 0 0 "[ . 1 . 2]" 1
675 1 44 MET H 1 45 LEU HB2 1.800 . 6.000 4.393 4.107 4.669 . 0 0 "[ . 1 . 2]" 1
676 1 44 MET H 1 45 LEU HB3 1.800 . 6.000 5.789 3.892 6.004 0.004 6 0 "[ . 1 . 2]" 1
677 1 44 MET H 1 45 LEU MD1 1.800 . 6.000 5.013 4.542 5.865 . 0 0 "[ . 1 . 2]" 1
678 1 44 MET H 1 45 LEU MD2 1.800 . 6.000 5.681 5.112 5.977 . 0 0 "[ . 1 . 2]" 1
679 1 44 MET H 1 45 LEU HG 1.800 . 6.000 4.660 3.997 6.021 0.021 19 0 "[ . 1 . 2]" 1
680 1 44 MET H 1 46 HIS H 1.800 . 5.000 4.160 3.772 4.591 . 0 0 "[ . 1 . 2]" 1
681 1 44 MET HA 1 45 LEU H 1.800 . 4.000 3.447 3.203 3.560 . 0 0 "[ . 1 . 2]" 1
682 1 44 MET HA 1 46 HIS H 1.800 . 5.000 4.210 3.500 4.833 . 0 0 "[ . 1 . 2]" 1
683 1 44 MET HA 1 47 GLN H 1.800 . 6.000 3.777 2.948 4.435 . 0 0 "[ . 1 . 2]" 1
684 1 44 MET HB2 1 45 LEU H 1.800 . 4.000 3.405 2.671 4.007 0.007 16 0 "[ . 1 . 2]" 1
685 1 44 MET HB3 1 45 LEU H 1.800 . 4.000 3.397 2.474 3.991 . 0 0 "[ . 1 . 2]" 1
686 1 45 LEU H 1 45 LEU HB2 1.800 . 4.000 2.313 2.127 3.299 . 0 0 "[ . 1 . 2]" 1
687 1 45 LEU H 1 45 LEU HB3 1.800 . 4.000 3.475 2.388 3.592 . 0 0 "[ . 1 . 2]" 1
688 1 45 LEU H 1 45 LEU MD1 1.800 . 5.000 3.629 3.339 4.214 . 0 0 "[ . 1 . 2]" 1
689 1 45 LEU H 1 45 LEU MD2 1.800 . 5.000 3.914 3.212 4.391 . 0 0 "[ . 1 . 2]" 1
690 1 45 LEU H 1 45 LEU HG 1.800 . 4.000 2.834 2.060 3.998 . 0 0 "[ . 1 . 2]" 1
691 1 45 LEU H 1 46 HIS H 1.800 . 4.000 2.552 2.097 2.980 . 0 0 "[ . 1 . 2]" 1
692 1 45 LEU H 1 46 HIS HA 1.800 . 6.000 5.144 4.771 5.399 . 0 0 "[ . 1 . 2]" 1
693 1 45 LEU H 1 47 GLN H 1.800 . 6.000 4.168 3.370 4.995 . 0 0 "[ . 1 . 2]" 1
694 1 45 LEU HA 1 46 HIS H 1.800 . 4.000 3.511 3.381 3.574 . 0 0 "[ . 1 . 2]" 1
695 1 45 LEU HA 1 47 GLN H 1.800 . 6.000 5.100 4.212 5.906 . 0 0 "[ . 1 . 2]" 1
696 1 45 LEU HB2 1 46 HIS H 1.800 . 4.000 2.946 2.465 3.987 . 0 0 "[ . 1 . 2]" 1
697 1 45 LEU HB3 1 46 HIS H 1.800 . 4.000 3.444 2.647 3.966 . 0 0 "[ . 1 . 2]" 1
698 1 45 LEU MD1 1 46 HIS H 1.800 . 6.000 4.642 3.904 5.109 . 0 0 "[ . 1 . 2]" 1
699 1 45 LEU MD2 1 46 HIS H 1.800 . 6.000 4.600 4.039 4.831 . 0 0 "[ . 1 . 2]" 1
700 1 45 LEU HG 1 46 HIS H 1.800 . 5.000 4.574 2.905 4.865 . 0 0 "[ . 1 . 2]" 1
701 1 46 HIS H 1 46 HIS HA 1.800 . 3.000 2.899 2.805 2.960 . 0 0 "[ . 1 . 2]" 1
702 1 46 HIS H 1 46 HIS HB2 1.800 . 4.000 2.781 2.204 4.004 0.004 12 0 "[ . 1 . 2]" 1
703 1 46 HIS H 1 46 HIS HB3 1.800 . 4.000 3.172 2.466 3.716 . 0 0 "[ . 1 . 2]" 1
704 1 46 HIS H 1 47 GLN H 1.800 . 4.000 2.431 1.793 3.060 0.007 14 0 "[ . 1 . 2]" 1
705 1 46 HIS HA 1 47 GLN H 1.800 . 4.000 3.268 2.407 3.578 . 0 0 "[ . 1 . 2]" 1
706 1 46 HIS HB2 1 47 GLN H 1.800 . 5.000 3.572 2.280 4.664 . 0 0 "[ . 1 . 2]" 1
707 1 46 HIS HB3 1 47 GLN H 1.800 . 5.000 3.289 1.823 4.645 . 0 0 "[ . 1 . 2]" 1
708 1 47 GLN H 1 47 GLN HA 1.800 . 3.000 2.583 2.294 2.953 . 0 0 "[ . 1 . 2]" 1
709 1 47 GLN H 1 47 GLN HB2 1.800 . 4.000 3.077 2.328 3.963 . 0 0 "[ . 1 . 2]" 1
710 1 47 GLN H 1 47 GLN HB3 1.800 . 4.000 3.540 2.624 4.028 0.028 13 0 "[ . 1 . 2]" 1
711 1 47 GLN H 1 47 GLN QG 1.800 . 5.000 3.167 1.786 4.190 0.014 12 0 "[ . 1 . 2]" 1
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