NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
442222 |
2kcf   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kcf
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 538
_Distance_constraint_stats_list.Viol_count 687
_Distance_constraint_stats_list.Viol_total 872.475
_Distance_constraint_stats_list.Viol_max 0.108
_Distance_constraint_stats_list.Viol_rms 0.0165
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0041
_Distance_constraint_stats_list.Viol_average_violations_only 0.0635
_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 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 LEU 0.536 0.081 17 0 "[ . 1 . 2]"
1 5 PRO 2.725 0.089 9 0 "[ . 1 . 2]"
1 6 PRO 1.132 0.082 8 0 "[ . 1 . 2]"
1 7 GLY 0.197 0.069 12 0 "[ . 1 . 2]"
1 8 TRP 9.194 0.098 16 0 "[ . 1 . 2]"
1 9 GLU 1.056 0.096 9 0 "[ . 1 . 2]"
1 10 LYS 1.017 0.096 9 0 "[ . 1 . 2]"
1 11 ARG 1.825 0.089 17 0 "[ . 1 . 2]"
1 12 MET 1.444 0.089 17 0 "[ . 1 . 2]"
1 13 SER 1.176 0.089 16 0 "[ . 1 . 2]"
1 14 ARG 0.740 0.092 15 0 "[ . 1 . 2]"
1 15 SER 1.145 0.101 14 0 "[ . 1 . 2]"
1 16 SER 1.771 0.091 18 0 "[ . 1 . 2]"
1 17 GLY 0.554 0.078 7 0 "[ . 1 . 2]"
1 18 ARG 5.033 0.101 2 0 "[ . 1 . 2]"
1 19 VAL 4.330 0.101 2 0 "[ . 1 . 2]"
1 20 TYR 1.091 0.086 2 0 "[ . 1 . 2]"
1 21 TYR 4.314 0.095 15 0 "[ . 1 . 2]"
1 22 PHE 3.786 0.095 17 0 "[ . 1 . 2]"
1 23 ASN 4.907 0.098 16 0 "[ . 1 . 2]"
1 24 HIS 6.973 0.108 14 0 "[ . 1 . 2]"
1 25 ILE 1.776 0.095 1 0 "[ . 1 . 2]"
1 26 THR 1.366 0.085 1 0 "[ . 1 . 2]"
1 27 ASN 1.659 0.085 1 0 "[ . 1 . 2]"
1 28 ALA 0.516 0.070 15 0 "[ . 1 . 2]"
1 29 SER 1.124 0.095 16 0 "[ . 1 . 2]"
1 30 GLN 2.694 0.095 15 0 "[ . 1 . 2]"
1 31 TRP 3.502 0.089 8 0 "[ . 1 . 2]"
1 32 GLU 2.964 0.095 9 0 "[ . 1 . 2]"
1 33 ARG 1.079 0.095 9 0 "[ . 1 . 2]"
1 34 PRO 4.997 0.089 3 0 "[ . 1 . 2]"
1 36 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 LYS QG 1 4 LEU H . . 6.380 3.646 1.656 4.643 . 0 0 "[ . 1 . 2]" 1
2 1 4 LEU H 1 4 LEU HG . . 4.630 3.796 2.603 4.692 0.062 5 0 "[ . 1 . 2]" 1
3 1 4 LEU H 1 32 GLU QB . . 5.730 4.297 3.123 5.215 . 0 0 "[ . 1 . 2]" 1
4 1 4 LEU H 1 34 PRO HA . . 5.500 3.982 1.842 5.581 0.081 17 0 "[ . 1 . 2]" 1
5 1 4 LEU HA 1 5 PRO QG . . 5.630 3.981 3.867 4.354 . 0 0 "[ . 1 . 2]" 1
6 1 4 LEU HA 1 32 GLU QB . . 6.380 5.037 4.189 5.763 . 0 0 "[ . 1 . 2]" 1
7 1 4 LEU HA 1 34 PRO HA . . 4.850 4.600 4.007 4.922 0.072 7 0 "[ . 1 . 2]" 1
8 1 4 LEU HA 1 34 PRO QB . . 6.380 4.076 3.697 5.122 . 0 0 "[ . 1 . 2]" 1
9 1 4 LEU HA 1 34 PRO QG . . 6.380 4.795 4.202 5.496 . 0 0 "[ . 1 . 2]" 1
10 1 4 LEU QB 1 5 PRO QD . . 7.260 3.163 1.918 3.763 . 0 0 "[ . 1 . 2]" 1
11 1 4 LEU QD 1 5 PRO QD . . 5.610 2.728 2.143 3.804 . 0 0 "[ . 1 . 2]" 1
12 1 4 LEU QD 1 8 TRP QB . . 6.610 3.578 3.090 4.268 . 0 0 "[ . 1 . 2]" 1
13 1 4 LEU QD 1 8 TRP HD1 . . 8.070 4.306 3.349 5.105 . 0 0 "[ . 1 . 2]" 1
14 1 4 LEU QD 1 8 TRP HE3 . . 6.270 3.096 2.721 3.846 . 0 0 "[ . 1 . 2]" 1
15 1 4 LEU QD 1 10 LYS QD . . 8.010 4.840 4.430 5.130 . 0 0 "[ . 1 . 2]" 1
16 1 4 LEU QD 1 10 LYS QE . . 7.330 4.390 3.939 4.779 . 0 0 "[ . 1 . 2]" 1
17 1 4 LEU QD 1 21 TYR HE1 . . 8.100 5.698 5.256 5.942 . 0 0 "[ . 1 . 2]" 1
18 1 4 LEU QD 1 33 ARG H . . 6.240 3.354 2.644 4.416 . 0 0 "[ . 1 . 2]" 1
19 1 4 LEU QD 1 34 PRO QD . . 5.890 1.920 1.804 2.051 . 0 0 "[ . 1 . 2]" 1
20 1 4 LEU QD 1 34 PRO QG . . 5.790 2.186 1.954 2.931 . 0 0 "[ . 1 . 2]" 1
21 1 4 LEU MD1 1 5 PRO HD2 . . 7.470 4.316 2.278 5.442 . 0 0 "[ . 1 . 2]" 1
22 1 4 LEU MD1 1 5 PRO HD3 . . 7.470 4.926 3.417 5.592 . 0 0 "[ . 1 . 2]" 1
23 1 4 LEU MD1 1 8 TRP HB2 . . 8.640 5.586 4.340 6.752 . 0 0 "[ . 1 . 2]" 1
24 1 4 LEU MD1 1 8 TRP HB3 . . 8.640 5.301 4.335 6.721 . 0 0 "[ . 1 . 2]" 1
25 1 4 LEU MD1 1 8 TRP HE3 . . 6.530 4.303 3.272 5.485 . 0 0 "[ . 1 . 2]" 1
26 1 4 LEU MD1 1 34 PRO HD2 . . 7.600 4.171 3.138 5.874 . 0 0 "[ . 1 . 2]" 1
27 1 4 LEU MD1 1 34 PRO HD3 . . 7.600 2.747 1.857 4.487 . 0 0 "[ . 1 . 2]" 1
28 1 4 LEU MD1 1 34 PRO HG2 . . 6.530 4.651 3.273 5.553 . 0 0 "[ . 1 . 2]" 1
29 1 4 LEU MD1 1 34 PRO HG3 . . 6.530 3.472 2.147 4.252 . 0 0 "[ . 1 . 2]" 1
30 1 4 LEU MD2 1 5 PRO HD2 . . 7.470 3.176 2.172 4.894 . 0 0 "[ . 1 . 2]" 1
31 1 4 LEU MD2 1 5 PRO HD3 . . 7.470 4.091 3.060 5.515 . 0 0 "[ . 1 . 2]" 1
32 1 4 LEU MD2 1 8 TRP HB2 . . 8.640 4.548 3.587 6.564 . 0 0 "[ . 1 . 2]" 1
33 1 4 LEU MD2 1 8 TRP HB3 . . 8.640 4.308 3.472 6.223 . 0 0 "[ . 1 . 2]" 1
34 1 4 LEU MD2 1 8 TRP HE3 . . 6.530 3.376 2.730 5.248 . 0 0 "[ . 1 . 2]" 1
35 1 4 LEU MD2 1 34 PRO HD2 . . 7.600 3.995 3.263 6.078 . 0 0 "[ . 1 . 2]" 1
36 1 4 LEU MD2 1 34 PRO HD3 . . 7.600 2.595 1.870 4.746 . 0 0 "[ . 1 . 2]" 1
37 1 4 LEU MD2 1 34 PRO HG2 . . 6.530 3.949 3.259 5.498 . 0 0 "[ . 1 . 2]" 1
38 1 4 LEU MD2 1 34 PRO HG3 . . 6.530 2.595 1.974 4.115 . 0 0 "[ . 1 . 2]" 1
39 1 4 LEU HG 1 5 PRO QD . . 4.710 3.583 2.278 4.302 . 0 0 "[ . 1 . 2]" 1
40 1 5 PRO HA 1 8 TRP HD1 . . 5.500 5.262 4.964 5.538 0.038 12 0 "[ . 1 . 2]" 1
41 1 5 PRO QB 1 8 TRP HD1 . . 4.710 4.012 3.825 4.093 . 0 0 "[ . 1 . 2]" 1
42 1 5 PRO QB 1 8 TRP HE1 . . 5.020 3.367 2.733 3.843 . 0 0 "[ . 1 . 2]" 1
43 1 5 PRO QB 1 36 GLY H . . 6.220 5.578 5.137 5.667 . 0 0 "[ . 1 . 2]" 1
44 1 5 PRO HB2 1 8 TRP HD1 . . 5.500 4.121 3.896 4.227 . 0 0 "[ . 1 . 2]" 1
45 1 5 PRO HB2 1 8 TRP HE1 . . 5.440 3.516 2.763 4.089 . 0 0 "[ . 1 . 2]" 1
46 1 5 PRO HB3 1 8 TRP HD1 . . 5.500 5.525 5.456 5.574 0.074 12 0 "[ . 1 . 2]" 1
47 1 5 PRO HB3 1 8 TRP HE1 . . 5.440 4.353 3.979 4.670 . 0 0 "[ . 1 . 2]" 1
48 1 5 PRO QD 1 8 TRP HD1 . . 4.910 3.882 3.492 4.124 . 0 0 "[ . 1 . 2]" 1
49 1 5 PRO QD 1 34 PRO QB . . 7.190 3.705 3.323 4.348 . 0 0 "[ . 1 . 2]" 1
50 1 5 PRO QD 1 34 PRO QD . . 7.250 5.425 4.924 5.698 . 0 0 "[ . 1 . 2]" 1
51 1 5 PRO QD 1 34 PRO QG . . 5.790 4.196 4.032 4.275 . 0 0 "[ . 1 . 2]" 1
52 1 5 PRO HD2 1 8 TRP HD1 . . 5.470 3.972 3.552 4.252 . 0 0 "[ . 1 . 2]" 1
53 1 5 PRO HD2 1 34 PRO HG2 . . 7.250 5.890 5.746 6.027 . 0 0 "[ . 1 . 2]" 1
54 1 5 PRO HD2 1 34 PRO HG3 . . 7.250 4.452 4.275 4.566 . 0 0 "[ . 1 . 2]" 1
55 1 5 PRO HD3 1 8 TRP HD1 . . 5.470 5.471 5.154 5.559 0.089 9 0 "[ . 1 . 2]" 1
56 1 5 PRO HD3 1 34 PRO HG2 . . 7.250 7.293 7.001 7.334 0.084 20 0 "[ . 1 . 2]" 1
57 1 5 PRO HD3 1 34 PRO HG3 . . 7.250 5.895 5.441 6.080 . 0 0 "[ . 1 . 2]" 1
58 1 5 PRO QG 1 8 TRP HE1 . . 6.380 1.776 1.584 2.971 . 0 0 "[ . 1 . 2]" 1
59 1 5 PRO QG 1 34 PRO QB . . 7.000 4.639 4.303 5.145 . 0 0 "[ . 1 . 2]" 1
60 1 5 PRO QG 1 34 PRO QG . . 7.250 5.195 4.824 5.707 . 0 0 "[ . 1 . 2]" 1
61 1 6 PRO HA 1 7 GLY H . . 2.680 2.495 2.274 2.634 . 0 0 "[ . 1 . 2]" 1
62 1 6 PRO HA 1 8 TRP H . . 4.540 3.798 3.200 4.524 . 0 0 "[ . 1 . 2]" 1
63 1 6 PRO HA 1 34 PRO HA . . 5.500 5.514 4.936 5.582 0.082 8 0 "[ . 1 . 2]" 1
64 1 6 PRO QB 1 7 GLY H . . 4.190 2.679 2.407 3.627 . 0 0 "[ . 1 . 2]" 1
65 1 6 PRO HB2 1 7 GLY H . . 4.480 2.758 2.449 3.901 . 0 0 "[ . 1 . 2]" 1
66 1 6 PRO HB3 1 7 GLY H . . 4.480 3.688 3.535 4.313 . 0 0 "[ . 1 . 2]" 1
67 1 7 GLY H 1 8 TRP H . . 3.550 2.277 1.941 2.789 . 0 0 "[ . 1 . 2]" 1
68 1 7 GLY QA 1 8 TRP QB . . 7.250 4.461 4.278 4.580 . 0 0 "[ . 1 . 2]" 1
69 1 7 GLY QA 1 24 HIS H . . 5.390 3.955 3.483 4.742 . 0 0 "[ . 1 . 2]" 1
70 1 7 GLY QA 1 24 HIS HD2 . . 4.740 4.333 4.235 4.377 . 0 0 "[ . 1 . 2]" 1
71 1 7 GLY QA 1 24 HIS HE1 . . 5.300 2.179 1.883 2.964 . 0 0 "[ . 1 . 2]" 1
72 1 7 GLY QA 1 25 ILE HB . . 6.320 4.395 3.240 5.124 . 0 0 "[ . 1 . 2]" 1
73 1 7 GLY QA 1 25 ILE MD . . 5.350 2.532 1.812 3.739 . 0 0 "[ . 1 . 2]" 1
74 1 7 GLY QA 1 25 ILE QG . . 6.160 3.196 2.008 4.713 . 0 0 "[ . 1 . 2]" 1
75 1 7 GLY HA2 1 24 HIS HD2 . . 5.190 4.811 4.568 5.259 0.069 12 0 "[ . 1 . 2]" 1
76 1 7 GLY HA2 1 24 HIS HE1 . . 5.500 2.324 1.911 3.080 . 0 0 "[ . 1 . 2]" 1
77 1 7 GLY HA2 1 25 ILE MD . . 5.570 3.316 2.300 4.554 . 0 0 "[ . 1 . 2]" 1
78 1 7 GLY HA2 1 25 ILE HG12 . . 7.250 4.854 2.909 7.303 0.053 15 0 "[ . 1 . 2]" 1
79 1 7 GLY HA2 1 25 ILE HG13 . . 7.250 4.491 3.141 5.849 . 0 0 "[ . 1 . 2]" 1
80 1 7 GLY HA3 1 24 HIS HD2 . . 5.190 4.968 4.466 5.233 0.043 8 0 "[ . 1 . 2]" 1
81 1 7 GLY HA3 1 24 HIS HE1 . . 5.500 3.387 2.067 4.260 . 0 0 "[ . 1 . 2]" 1
82 1 7 GLY HA3 1 25 ILE MD . . 5.570 2.671 1.865 3.984 . 0 0 "[ . 1 . 2]" 1
83 1 7 GLY HA3 1 25 ILE HG12 . . 7.250 4.098 2.249 6.691 . 0 0 "[ . 1 . 2]" 1
84 1 7 GLY HA3 1 25 ILE HG13 . . 7.250 3.683 2.320 5.235 . 0 0 "[ . 1 . 2]" 1
85 1 8 TRP H 1 8 TRP HB2 . . 3.580 2.437 2.242 2.525 . 0 0 "[ . 1 . 2]" 1
86 1 8 TRP H 1 8 TRP QB . . 3.300 2.400 2.215 2.482 . 0 0 "[ . 1 . 2]" 1
87 1 8 TRP H 1 8 TRP HB3 . . 3.580 3.617 3.453 3.662 0.082 4 0 "[ . 1 . 2]" 1
88 1 8 TRP H 1 8 TRP HD1 . . 3.920 3.001 2.264 3.420 . 0 0 "[ . 1 . 2]" 1
89 1 8 TRP H 1 23 ASN HA . . 4.540 4.570 4.435 4.638 0.098 16 0 "[ . 1 . 2]" 1
90 1 8 TRP H 1 34 PRO QG . . 6.380 4.156 3.409 4.578 . 0 0 "[ . 1 . 2]" 1
91 1 8 TRP HA 1 8 TRP HE3 . . 4.820 3.839 3.415 4.133 . 0 0 "[ . 1 . 2]" 1
92 1 8 TRP HA 1 9 GLU H . . 2.830 2.238 2.032 2.498 . 0 0 "[ . 1 . 2]" 1
93 1 8 TRP HA 1 23 ASN H . . 4.350 4.298 3.372 4.443 0.093 9 0 "[ . 1 . 2]" 1
94 1 8 TRP HA 1 23 ASN HA . . 3.270 2.067 1.862 2.298 . 0 0 "[ . 1 . 2]" 1
95 1 8 TRP HA 1 23 ASN HB2 . . 5.500 4.267 3.498 4.575 . 0 0 "[ . 1 . 2]" 1
96 1 8 TRP HA 1 23 ASN HB3 . . 5.500 4.969 4.185 5.281 . 0 0 "[ . 1 . 2]" 1
97 1 8 TRP HA 1 24 HIS H . . 4.040 3.295 2.626 4.109 0.069 15 0 "[ . 1 . 2]" 1
98 1 8 TRP QB 1 9 GLU H . . 3.810 2.738 2.275 3.213 . 0 0 "[ . 1 . 2]" 1
99 1 8 TRP QB 1 21 TYR HA . . 6.380 4.755 3.800 5.445 . 0 0 "[ . 1 . 2]" 1
100 1 8 TRP QB 1 21 TYR QB . . 6.970 2.874 2.272 3.308 . 0 0 "[ . 1 . 2]" 1
101 1 8 TRP QB 1 22 PHE H . . 6.290 3.773 3.258 4.449 . 0 0 "[ . 1 . 2]" 1
102 1 8 TRP QB 1 23 ASN HA . . 6.380 3.530 2.816 4.133 . 0 0 "[ . 1 . 2]" 1
103 1 8 TRP QB 1 34 PRO QB . . 6.010 3.515 2.438 4.203 . 0 0 "[ . 1 . 2]" 1
104 1 8 TRP QB 1 34 PRO QD . . 7.250 3.615 3.030 3.916 . 0 0 "[ . 1 . 2]" 1
105 1 8 TRP QB 1 34 PRO QG . . 6.320 2.273 2.026 2.617 . 0 0 "[ . 1 . 2]" 1
106 1 8 TRP HB2 1 9 GLU H . . 4.140 3.968 3.556 4.222 0.082 14 0 "[ . 1 . 2]" 1
107 1 8 TRP HB2 1 34 PRO HG2 . . 7.250 2.594 2.189 3.247 . 0 0 "[ . 1 . 2]" 1
108 1 8 TRP HB2 1 34 PRO HG3 . . 7.250 2.908 2.358 3.660 . 0 0 "[ . 1 . 2]" 1
109 1 8 TRP HB3 1 9 GLU H . . 4.140 2.795 2.301 3.331 . 0 0 "[ . 1 . 2]" 1
110 1 8 TRP HB3 1 34 PRO HG2 . . 7.250 3.545 2.359 4.514 . 0 0 "[ . 1 . 2]" 1
111 1 8 TRP HB3 1 34 PRO HG3 . . 7.250 3.435 2.883 3.841 . 0 0 "[ . 1 . 2]" 1
112 1 8 TRP HD1 1 23 ASN HA . . 5.500 4.077 3.406 4.562 . 0 0 "[ . 1 . 2]" 1
113 1 8 TRP HD1 1 23 ASN QB . . 6.380 4.489 3.248 5.119 . 0 0 "[ . 1 . 2]" 1
114 1 8 TRP HD1 1 24 HIS HE1 . . 5.500 5.512 5.034 5.596 0.096 9 0 "[ . 1 . 2]" 1
115 1 8 TRP HD1 1 34 PRO HG2 . . 5.500 4.282 3.686 4.700 . 0 0 "[ . 1 . 2]" 1
116 1 8 TRP HD1 1 34 PRO HG3 . . 5.500 3.793 3.217 4.499 . 0 0 "[ . 1 . 2]" 1
117 1 8 TRP HE1 1 23 ASN QB . . 6.350 3.695 2.910 4.482 . 0 0 "[ . 1 . 2]" 1
118 1 8 TRP HE1 1 23 ASN HD21 . . 5.100 2.762 2.149 3.837 . 0 0 "[ . 1 . 2]" 1
119 1 8 TRP HE1 1 23 ASN QD . . 4.760 2.522 2.115 3.180 . 0 0 "[ . 1 . 2]" 1
120 1 8 TRP HE1 1 23 ASN HD22 . . 5.100 3.206 2.850 4.861 . 0 0 "[ . 1 . 2]" 1
121 1 8 TRP HE1 1 34 PRO HB2 . . 5.500 5.382 5.001 5.567 0.067 6 0 "[ . 1 . 2]" 1
122 1 8 TRP HE1 1 34 PRO QB . . 5.250 4.144 3.508 4.504 . 0 0 "[ . 1 . 2]" 1
123 1 8 TRP HE1 1 34 PRO HB3 . . 5.500 4.322 3.560 4.759 . 0 0 "[ . 1 . 2]" 1
124 1 8 TRP HE3 1 9 GLU H . . 4.690 3.859 3.228 4.650 . 0 0 "[ . 1 . 2]" 1
125 1 8 TRP HE3 1 21 TYR HA . . 5.380 3.977 3.610 4.434 . 0 0 "[ . 1 . 2]" 1
126 1 8 TRP HE3 1 21 TYR HB2 . . 4.260 2.554 2.297 3.117 . 0 0 "[ . 1 . 2]" 1
127 1 8 TRP HE3 1 21 TYR QB . . 3.980 2.003 1.881 2.164 . 0 0 "[ . 1 . 2]" 1
128 1 8 TRP HE3 1 21 TYR HB3 . . 4.260 2.104 1.977 2.389 . 0 0 "[ . 1 . 2]" 1
129 1 8 TRP HE3 1 22 PHE H . . 4.970 2.949 1.798 3.751 . 0 0 "[ . 1 . 2]" 1
130 1 8 TRP HE3 1 22 PHE HA . . 5.500 3.834 3.347 5.247 . 0 0 "[ . 1 . 2]" 1
131 1 8 TRP HE3 1 23 ASN H . . 5.500 3.381 2.023 4.355 . 0 0 "[ . 1 . 2]" 1
132 1 8 TRP HE3 1 23 ASN HA . . 5.440 3.793 3.049 4.566 . 0 0 "[ . 1 . 2]" 1
133 1 8 TRP HE3 1 23 ASN HB2 . . 5.500 4.065 3.561 4.843 . 0 0 "[ . 1 . 2]" 1
134 1 8 TRP HE3 1 23 ASN QB . . 5.260 3.911 3.479 4.174 . 0 0 "[ . 1 . 2]" 1
135 1 8 TRP HE3 1 23 ASN HB3 . . 5.500 5.294 4.046 5.578 0.078 19 0 "[ . 1 . 2]" 1
136 1 8 TRP HE3 1 29 SER HA . . 5.500 4.459 3.963 5.357 . 0 0 "[ . 1 . 2]" 1
137 1 8 TRP HE3 1 30 GLN QB . . 6.380 4.466 3.510 5.176 . 0 0 "[ . 1 . 2]" 1
138 1 8 TRP HE3 1 34 PRO HD2 . . 5.500 5.576 5.525 5.589 0.089 3 0 "[ . 1 . 2]" 1
139 1 8 TRP HE3 1 34 PRO HD3 . . 5.500 4.758 4.353 5.133 . 0 0 "[ . 1 . 2]" 1
140 1 8 TRP HE3 1 34 PRO HG2 . . 5.500 4.921 3.567 5.564 0.064 7 0 "[ . 1 . 2]" 1
141 1 8 TRP HE3 1 34 PRO HG3 . . 5.500 4.034 3.514 4.591 . 0 0 "[ . 1 . 2]" 1
142 1 8 TRP HH2 1 23 ASN HB2 . . 5.500 3.728 3.218 5.477 . 0 0 "[ . 1 . 2]" 1
143 1 8 TRP HH2 1 23 ASN QB . . 5.370 3.541 3.152 4.085 . 0 0 "[ . 1 . 2]" 1
144 1 8 TRP HH2 1 23 ASN HB3 . . 5.500 4.761 3.861 5.432 . 0 0 "[ . 1 . 2]" 1
145 1 8 TRP HH2 1 28 ALA MB . . 4.610 2.946 2.450 3.548 . 0 0 "[ . 1 . 2]" 1
146 1 8 TRP HH2 1 30 GLN QB . . 5.300 2.641 2.163 4.190 . 0 0 "[ . 1 . 2]" 1
147 1 8 TRP HZ2 1 21 TYR QB . . 6.380 5.745 5.513 5.819 . 0 0 "[ . 1 . 2]" 1
148 1 8 TRP HZ2 1 23 ASN HB2 . . 5.500 3.324 3.037 4.221 . 0 0 "[ . 1 . 2]" 1
149 1 8 TRP HZ2 1 23 ASN HB3 . . 5.500 4.598 3.181 5.297 . 0 0 "[ . 1 . 2]" 1
150 1 8 TRP HZ2 1 23 ASN HD21 . . 5.500 3.305 2.211 5.272 . 0 0 "[ . 1 . 2]" 1
151 1 8 TRP HZ2 1 23 ASN HD22 . . 5.500 4.458 3.451 5.129 . 0 0 "[ . 1 . 2]" 1
152 1 8 TRP HZ2 1 28 ALA MB . . 5.260 3.671 2.403 4.213 . 0 0 "[ . 1 . 2]" 1
153 1 8 TRP HZ2 1 30 GLN QB . . 6.380 4.426 3.831 5.784 . 0 0 "[ . 1 . 2]" 1
154 1 8 TRP HZ2 1 34 PRO QB . . 6.380 5.519 5.468 5.579 . 0 0 "[ . 1 . 2]" 1
155 1 8 TRP HZ2 1 34 PRO QG . . 6.380 5.200 4.485 5.469 . 0 0 "[ . 1 . 2]" 1
156 1 8 TRP HZ3 1 21 TYR QB . . 5.510 2.671 2.100 3.389 . 0 0 "[ . 1 . 2]" 1
157 1 8 TRP HZ3 1 23 ASN H . . 5.500 3.380 2.680 4.290 . 0 0 "[ . 1 . 2]" 1
158 1 8 TRP HZ3 1 23 ASN QB . . 6.260 3.887 3.377 4.501 . 0 0 "[ . 1 . 2]" 1
159 1 8 TRP HZ3 1 28 ALA MB . . 5.690 4.273 3.668 4.650 . 0 0 "[ . 1 . 2]" 1
160 1 8 TRP HZ3 1 29 SER HA . . 3.670 2.557 2.097 3.491 . 0 0 "[ . 1 . 2]" 1
161 1 8 TRP HZ3 1 30 GLN H . . 5.440 2.910 2.375 3.699 . 0 0 "[ . 1 . 2]" 1
162 1 8 TRP HZ3 1 30 GLN QB . . 5.390 2.677 2.169 3.622 . 0 0 "[ . 1 . 2]" 1
163 1 8 TRP HZ3 1 30 GLN QG . . 6.250 4.144 2.056 5.497 . 0 0 "[ . 1 . 2]" 1
164 1 9 GLU H 1 9 GLU HG2 . . 5.280 4.040 2.605 4.713 . 0 0 "[ . 1 . 2]" 1
165 1 9 GLU H 1 9 GLU QG . . 5.010 3.411 2.574 4.125 . 0 0 "[ . 1 . 2]" 1
166 1 9 GLU H 1 9 GLU HG3 . . 5.280 3.835 2.906 4.719 . 0 0 "[ . 1 . 2]" 1
167 1 9 GLU H 1 10 LYS QG . . 6.380 5.300 4.278 5.781 . 0 0 "[ . 1 . 2]" 1
168 1 9 GLU H 1 21 TYR HA . . 5.500 4.846 4.141 5.572 0.072 17 0 "[ . 1 . 2]" 1
169 1 9 GLU H 1 22 PHE H . . 3.700 3.070 2.480 3.771 0.071 15 0 "[ . 1 . 2]" 1
170 1 9 GLU H 1 22 PHE QB . . 6.380 4.180 3.397 5.188 . 0 0 "[ . 1 . 2]" 1
171 1 9 GLU H 1 23 ASN HA . . 4.010 3.508 2.617 4.035 0.025 6 0 "[ . 1 . 2]" 1
172 1 9 GLU HA 1 10 LYS H . . 2.770 2.416 2.003 2.866 0.096 9 0 "[ . 1 . 2]" 1
173 1 9 GLU HA 1 10 LYS QG . . 5.070 4.048 3.449 4.593 . 0 0 "[ . 1 . 2]" 1
174 1 9 GLU QB 1 11 ARG QD . . 7.260 4.110 2.503 5.551 . 0 0 "[ . 1 . 2]" 1
175 1 9 GLU QB 1 22 PHE H . . 6.380 3.853 2.827 4.793 . 0 0 "[ . 1 . 2]" 1
176 1 9 GLU QB 1 22 PHE QB . . 5.640 3.599 2.844 4.151 . 0 0 "[ . 1 . 2]" 1
177 1 9 GLU QG 1 10 LYS H . . 5.010 3.759 1.981 4.553 . 0 0 "[ . 1 . 2]" 1
178 1 9 GLU HG2 1 10 LYS H . . 5.500 4.195 2.011 5.365 . 0 0 "[ . 1 . 2]" 1
179 1 9 GLU HG3 1 10 LYS H . . 5.500 4.494 2.492 5.546 0.046 15 0 "[ . 1 . 2]" 1
180 1 10 LYS H 1 10 LYS QD . . 5.690 3.400 1.904 4.878 . 0 0 "[ . 1 . 2]" 1
181 1 10 LYS HA 1 11 ARG H . . 2.830 2.265 2.107 2.902 0.072 9 0 "[ . 1 . 2]" 1
182 1 10 LYS HA 1 19 VAL QG . . 7.720 3.316 2.773 4.106 . 0 0 "[ . 1 . 2]" 1
183 1 10 LYS HA 1 21 TYR HA . . 3.270 2.298 1.866 2.684 . 0 0 "[ . 1 . 2]" 1
184 1 10 LYS HA 1 21 TYR HD1 . . 4.010 2.687 2.117 3.544 . 0 0 "[ . 1 . 2]" 1
185 1 10 LYS HA 1 21 TYR HE1 . . 4.320 4.227 3.775 4.401 0.081 8 0 "[ . 1 . 2]" 1
186 1 10 LYS HA 1 22 PHE H . . 4.510 3.611 2.927 4.471 . 0 0 "[ . 1 . 2]" 1
187 1 10 LYS QB 1 19 VAL MG1 . . 6.320 3.864 2.874 4.418 . 0 0 "[ . 1 . 2]" 1
188 1 10 LYS QB 1 19 VAL QG . . 5.770 2.366 2.023 2.977 . 0 0 "[ . 1 . 2]" 1
189 1 10 LYS QB 1 19 VAL MG2 . . 6.320 2.392 2.048 3.035 . 0 0 "[ . 1 . 2]" 1
190 1 10 LYS QB 1 21 TYR HA . . 6.380 4.101 3.482 4.610 . 0 0 "[ . 1 . 2]" 1
191 1 10 LYS QB 1 21 TYR HD1 . . 6.380 3.222 2.297 4.690 . 0 0 "[ . 1 . 2]" 1
192 1 10 LYS QB 1 21 TYR HE1 . . 5.540 3.334 2.614 4.310 . 0 0 "[ . 1 . 2]" 1
193 1 10 LYS QD 1 11 ARG H . . 6.380 4.642 4.038 5.804 . 0 0 "[ . 1 . 2]" 1
194 1 10 LYS QD 1 21 TYR HA . . 6.380 3.991 2.970 5.760 . 0 0 "[ . 1 . 2]" 1
195 1 10 LYS QD 1 21 TYR HD1 . . 6.380 3.399 2.142 5.320 . 0 0 "[ . 1 . 2]" 1
196 1 10 LYS QD 1 21 TYR HE1 . . 5.630 3.409 2.398 5.141 . 0 0 "[ . 1 . 2]" 1
197 1 10 LYS QE 1 19 VAL QG . . 7.600 4.848 4.527 4.969 . 0 0 "[ . 1 . 2]" 1
198 1 10 LYS QE 1 21 TYR HE1 . . 5.850 4.406 3.882 4.875 . 0 0 "[ . 1 . 2]" 1
199 1 10 LYS QG 1 11 ARG H . . 6.220 4.573 4.009 5.120 . 0 0 "[ . 1 . 2]" 1
200 1 10 LYS QG 1 19 VAL QG . . 6.520 3.562 2.977 4.078 . 0 0 "[ . 1 . 2]" 1
201 1 10 LYS QG 1 21 TYR HA . . 6.380 4.426 3.014 5.181 . 0 0 "[ . 1 . 2]" 1
202 1 10 LYS QG 1 21 TYR HD1 . . 4.610 3.658 2.232 4.226 . 0 0 "[ . 1 . 2]" 1
203 1 10 LYS QG 1 21 TYR HE1 . . 4.450 3.581 2.749 3.921 . 0 0 "[ . 1 . 2]" 1
204 1 11 ARG H 1 11 ARG HB2 . . 4.140 2.556 2.173 3.395 . 0 0 "[ . 1 . 2]" 1
205 1 11 ARG H 1 11 ARG QB . . 3.810 2.442 2.152 3.114 . 0 0 "[ . 1 . 2]" 1
206 1 11 ARG H 1 11 ARG HB3 . . 4.140 3.307 2.562 3.732 . 0 0 "[ . 1 . 2]" 1
207 1 11 ARG H 1 11 ARG HG2 . . 5.500 4.270 3.157 4.803 . 0 0 "[ . 1 . 2]" 1
208 1 11 ARG H 1 11 ARG HG3 . . 5.500 4.070 2.933 4.731 . 0 0 "[ . 1 . 2]" 1
209 1 11 ARG H 1 12 MET H . . 4.510 4.443 4.233 4.569 0.059 1 0 "[ . 1 . 2]" 1
210 1 11 ARG H 1 19 VAL MG1 . . 6.530 5.332 4.875 5.466 . 0 0 "[ . 1 . 2]" 1
211 1 11 ARG H 1 19 VAL QG . . 5.780 3.295 2.772 3.755 . 0 0 "[ . 1 . 2]" 1
212 1 11 ARG H 1 19 VAL MG2 . . 6.530 3.330 2.784 3.835 . 0 0 "[ . 1 . 2]" 1
213 1 11 ARG H 1 20 TYR H . . 5.500 4.842 3.685 5.569 0.069 17 0 "[ . 1 . 2]" 1
214 1 11 ARG H 1 21 TYR HA . . 4.070 2.359 1.563 2.914 . 0 0 "[ . 1 . 2]" 1
215 1 11 ARG HA 1 11 ARG HD2 . . 4.820 4.015 2.086 4.747 . 0 0 "[ . 1 . 2]" 1
216 1 11 ARG HA 1 11 ARG QD . . 4.480 3.522 2.071 4.115 . 0 0 "[ . 1 . 2]" 1
217 1 11 ARG HA 1 11 ARG HD3 . . 4.820 4.134 2.942 4.787 . 0 0 "[ . 1 . 2]" 1
218 1 11 ARG HA 1 11 ARG HG2 . . 3.550 2.639 2.194 3.616 0.066 12 0 "[ . 1 . 2]" 1
219 1 11 ARG HA 1 11 ARG QG . . 3.120 2.300 2.111 2.610 . 0 0 "[ . 1 . 2]" 1
220 1 11 ARG HA 1 11 ARG HG3 . . 3.550 2.918 2.282 3.632 0.082 10 0 "[ . 1 . 2]" 1
221 1 11 ARG HA 1 12 MET H . . 2.930 2.454 2.220 2.757 . 0 0 "[ . 1 . 2]" 1
222 1 11 ARG HA 1 19 VAL QG . . 7.310 3.948 3.091 4.637 . 0 0 "[ . 1 . 2]" 1
223 1 11 ARG QB 1 12 MET H . . 3.530 2.702 2.078 3.231 . 0 0 "[ . 1 . 2]" 1
224 1 11 ARG QB 1 20 TYR QD . . 6.380 3.629 2.738 4.365 . 0 0 "[ . 1 . 2]" 1
225 1 11 ARG QB 1 20 TYR QE . . 4.660 2.630 2.021 3.182 . 0 0 "[ . 1 . 2]" 1
226 1 11 ARG QB 1 21 TYR QB . . 7.000 5.134 4.234 5.639 . 0 0 "[ . 1 . 2]" 1
227 1 11 ARG QB 1 22 PHE QD . . 8.500 3.990 2.417 4.908 . 0 0 "[ . 1 . 2]" 1
228 1 11 ARG HB2 1 12 MET H . . 3.890 3.886 3.576 3.979 0.089 17 0 "[ . 1 . 2]" 1
229 1 11 ARG HB2 1 20 TYR QE . . 4.820 3.625 2.229 4.842 0.022 13 0 "[ . 1 . 2]" 1
230 1 11 ARG HB3 1 12 MET H . . 3.890 2.772 2.092 3.424 . 0 0 "[ . 1 . 2]" 1
231 1 11 ARG HB3 1 20 TYR QE . . 4.820 2.750 2.138 3.437 . 0 0 "[ . 1 . 2]" 1
232 1 11 ARG QD 1 20 TYR QE . . 5.140 3.819 1.987 4.609 . 0 0 "[ . 1 . 2]" 1
233 1 11 ARG QG 1 12 MET H . . 5.350 2.994 1.819 4.089 . 0 0 "[ . 1 . 2]" 1
234 1 11 ARG QG 1 20 TYR QE . . 6.380 4.078 2.310 5.293 . 0 0 "[ . 1 . 2]" 1
235 1 11 ARG QG 1 22 PHE QD . . 8.500 3.985 2.758 5.332 . 0 0 "[ . 1 . 2]" 1
236 1 11 ARG HG2 1 12 MET H . . 5.500 3.286 1.835 4.468 . 0 0 "[ . 1 . 2]" 1
237 1 11 ARG HG3 1 12 MET H . . 5.500 3.885 1.849 5.079 . 0 0 "[ . 1 . 2]" 1
238 1 12 MET H 1 12 MET HG2 . . 5.500 4.205 2.922 4.835 . 0 0 "[ . 1 . 2]" 1
239 1 12 MET H 1 12 MET HG3 . . 5.500 3.507 2.718 4.451 . 0 0 "[ . 1 . 2]" 1
240 1 12 MET HA 1 13 SER H . . 2.740 2.250 2.053 2.615 . 0 0 "[ . 1 . 2]" 1
241 1 12 MET HA 1 19 VAL HB . . 5.500 4.147 3.597 4.566 . 0 0 "[ . 1 . 2]" 1
242 1 12 MET HA 1 19 VAL MG1 . . 6.530 5.096 4.752 5.489 . 0 0 "[ . 1 . 2]" 1
243 1 12 MET HA 1 19 VAL MG2 . . 6.530 3.375 2.889 3.871 . 0 0 "[ . 1 . 2]" 1
244 1 12 MET HA 1 20 TYR H . . 3.700 3.379 2.771 3.786 0.086 2 0 "[ . 1 . 2]" 1
245 1 12 MET QB 1 19 VAL HA . . 6.380 4.178 3.553 4.930 . 0 0 "[ . 1 . 2]" 1
246 1 12 MET QG 1 19 VAL HB . . 4.550 3.203 2.249 4.074 . 0 0 "[ . 1 . 2]" 1
247 1 12 MET QG 1 19 VAL QG . . 7.170 2.696 2.045 3.891 . 0 0 "[ . 1 . 2]" 1
248 1 12 MET HG2 1 13 SER H . . 5.500 3.966 2.526 4.843 . 0 0 "[ . 1 . 2]" 1
249 1 12 MET HG2 1 19 VAL HA . . 5.500 3.485 2.285 4.862 . 0 0 "[ . 1 . 2]" 1
250 1 12 MET HG2 1 19 VAL MG1 . . 8.840 5.083 3.922 6.465 . 0 0 "[ . 1 . 2]" 1
251 1 12 MET HG2 1 19 VAL MG2 . . 8.840 3.408 2.086 5.256 . 0 0 "[ . 1 . 2]" 1
252 1 12 MET HG3 1 13 SER H . . 5.500 4.567 3.230 5.334 . 0 0 "[ . 1 . 2]" 1
253 1 12 MET HG3 1 19 VAL HA . . 5.500 3.698 2.615 5.354 . 0 0 "[ . 1 . 2]" 1
254 1 12 MET HG3 1 19 VAL MG1 . . 8.840 5.189 4.483 6.138 . 0 0 "[ . 1 . 2]" 1
255 1 12 MET HG3 1 19 VAL MG2 . . 8.840 3.037 2.158 4.210 . 0 0 "[ . 1 . 2]" 1
256 1 13 SER H 1 13 SER HB2 . . 3.360 2.690 2.060 3.296 . 0 0 "[ . 1 . 2]" 1
257 1 13 SER H 1 13 SER QB . . 3.130 2.344 2.019 2.615 . 0 0 "[ . 1 . 2]" 1
258 1 13 SER H 1 13 SER HB3 . . 3.360 2.782 2.301 3.448 0.088 12 0 "[ . 1 . 2]" 1
259 1 13 SER H 1 18 ARG H . . 4.040 3.219 2.525 4.124 0.084 19 0 "[ . 1 . 2]" 1
260 1 13 SER H 1 19 VAL HA . . 3.830 3.663 3.250 3.889 0.059 8 0 "[ . 1 . 2]" 1
261 1 13 SER H 1 20 TYR QD . . 4.140 3.230 2.287 4.200 0.060 3 0 "[ . 1 . 2]" 1
262 1 13 SER H 1 20 TYR QE . . 5.220 3.952 2.778 5.230 0.010 3 0 "[ . 1 . 2]" 1
263 1 13 SER HA 1 14 ARG H . . 2.960 2.429 2.121 3.049 0.089 16 0 "[ . 1 . 2]" 1
264 1 13 SER HA 1 14 ARG QB . . 6.220 4.430 3.905 5.036 . 0 0 "[ . 1 . 2]" 1
265 1 13 SER HA 1 20 TYR QD . . 5.160 4.021 3.024 4.632 . 0 0 "[ . 1 . 2]" 1
266 1 13 SER HA 1 20 TYR QE . . 3.670 3.270 2.582 3.741 0.071 3 0 "[ . 1 . 2]" 1
267 1 13 SER QB 1 14 ARG QB . . 7.260 4.641 3.011 5.573 . 0 0 "[ . 1 . 2]" 1
268 1 13 SER QB 1 18 ARG H . . 4.720 3.102 1.782 4.223 . 0 0 "[ . 1 . 2]" 1
269 1 13 SER QB 1 18 ARG QB . . 5.550 2.655 2.046 3.442 . 0 0 "[ . 1 . 2]" 1
270 1 13 SER QB 1 20 TYR QD . . 4.490 2.851 2.014 3.792 . 0 0 "[ . 1 . 2]" 1
271 1 13 SER QB 1 20 TYR QE . . 5.140 3.391 2.500 4.626 . 0 0 "[ . 1 . 2]" 1
272 1 13 SER HB2 1 18 ARG H . . 5.310 4.207 2.139 5.370 0.060 13 0 "[ . 1 . 2]" 1
273 1 13 SER HB2 1 18 ARG HB2 . . 6.720 3.512 2.253 4.920 . 0 0 "[ . 1 . 2]" 1
274 1 13 SER HB2 1 18 ARG HB3 . . 6.720 4.835 3.710 6.341 . 0 0 "[ . 1 . 2]" 1
275 1 13 SER HB2 1 20 TYR QD . . 4.720 2.956 2.023 4.302 . 0 0 "[ . 1 . 2]" 1
276 1 13 SER HB2 1 20 TYR QE . . 5.500 3.547 2.523 5.337 . 0 0 "[ . 1 . 2]" 1
277 1 13 SER HB3 1 18 ARG H . . 5.310 3.393 1.908 4.490 . 0 0 "[ . 1 . 2]" 1
278 1 13 SER HB3 1 18 ARG HB2 . . 6.720 3.063 2.076 3.985 . 0 0 "[ . 1 . 2]" 1
279 1 13 SER HB3 1 18 ARG HB3 . . 6.720 4.624 3.687 5.508 . 0 0 "[ . 1 . 2]" 1
280 1 13 SER HB3 1 20 TYR QD . . 4.720 3.955 3.113 4.666 . 0 0 "[ . 1 . 2]" 1
281 1 13 SER HB3 1 20 TYR QE . . 5.500 4.664 4.068 5.280 . 0 0 "[ . 1 . 2]" 1
282 1 14 ARG H 1 15 SER H . . 3.980 2.883 1.991 4.072 0.092 15 0 "[ . 1 . 2]" 1
283 1 14 ARG HA 1 17 GLY H . . 5.500 4.595 3.031 5.578 0.078 7 0 "[ . 1 . 2]" 1
284 1 15 SER H 1 15 SER HA . . 2.620 2.516 2.195 2.721 0.101 14 0 "[ . 1 . 2]" 1
285 1 15 SER QB 1 16 SER H . . 3.930 2.787 1.871 3.641 . 0 0 "[ . 1 . 2]" 1
286 1 16 SER H 1 16 SER HB2 . . 3.700 2.999 2.476 3.779 0.079 15 0 "[ . 1 . 2]" 1
287 1 16 SER H 1 16 SER HB3 . . 3.700 3.510 2.684 3.791 0.091 18 0 "[ . 1 . 2]" 1
288 1 16 SER H 1 17 GLY H . . 3.860 2.911 1.790 3.887 0.027 7 0 "[ . 1 . 2]" 1
289 1 16 SER HA 1 16 SER HB2 . . 2.960 2.784 2.262 3.029 0.069 2 0 "[ . 1 . 2]" 1
290 1 16 SER HA 1 16 SER HB3 . . 2.960 2.588 2.275 3.029 0.069 3 0 "[ . 1 . 2]" 1
291 1 17 GLY H 1 18 ARG H . . 3.450 2.741 2.037 3.524 0.074 3 0 "[ . 1 . 2]" 1
292 1 17 GLY QA 1 18 ARG QB . . 5.730 4.423 3.962 4.593 . 0 0 "[ . 1 . 2]" 1
293 1 18 ARG H 1 18 ARG HB2 . . 3.860 2.655 2.261 3.043 . 0 0 "[ . 1 . 2]" 1
294 1 18 ARG H 1 18 ARG QB . . 3.450 2.599 2.236 2.935 . 0 0 "[ . 1 . 2]" 1
295 1 18 ARG H 1 18 ARG HB3 . . 3.860 3.737 3.532 3.933 0.073 16 0 "[ . 1 . 2]" 1
296 1 18 ARG HA 1 18 ARG HD2 . . 5.220 4.343 3.379 5.003 . 0 0 "[ . 1 . 2]" 1
297 1 18 ARG HA 1 18 ARG QD . . 4.990 3.627 2.112 4.262 . 0 0 "[ . 1 . 2]" 1
298 1 18 ARG HA 1 18 ARG HD3 . . 5.220 3.991 2.133 4.901 . 0 0 "[ . 1 . 2]" 1
299 1 18 ARG HA 1 19 VAL H . . 2.620 2.240 2.079 2.450 . 0 0 "[ . 1 . 2]" 1
300 1 18 ARG HA 1 19 VAL HB . . 3.980 4.066 4.037 4.081 0.101 2 0 "[ . 1 . 2]" 1
301 1 18 ARG HA 1 31 TRP HZ3 . . 5.250 4.718 4.232 5.324 0.074 7 0 "[ . 1 . 2]" 1
302 1 18 ARG QB 1 18 ARG HE . . 4.930 3.622 2.504 4.370 . 0 0 "[ . 1 . 2]" 1
303 1 18 ARG QB 1 19 VAL H . . 3.180 2.426 2.229 2.623 . 0 0 "[ . 1 . 2]" 1
304 1 18 ARG QB 1 19 VAL QG . . 8.040 3.956 3.811 4.193 . 0 0 "[ . 1 . 2]" 1
305 1 18 ARG QB 1 20 TYR QD . . 4.510 4.001 3.726 4.124 . 0 0 "[ . 1 . 2]" 1
306 1 18 ARG QB 1 31 TRP HE3 . . 5.000 3.757 2.985 4.235 . 0 0 "[ . 1 . 2]" 1
307 1 18 ARG QB 1 31 TRP HH2 . . 5.170 3.556 3.020 4.301 . 0 0 "[ . 1 . 2]" 1
308 1 18 ARG QB 1 31 TRP HZ3 . . 4.280 2.203 2.007 3.105 . 0 0 "[ . 1 . 2]" 1
309 1 18 ARG HB2 1 18 ARG HE . . 5.500 4.248 2.538 5.245 . 0 0 "[ . 1 . 2]" 1
310 1 18 ARG HB2 1 19 VAL H . . 3.610 3.659 3.313 3.700 0.090 14 0 "[ . 1 . 2]" 1
311 1 18 ARG HB2 1 20 TYR QD . . 4.880 4.338 3.866 4.668 . 0 0 "[ . 1 . 2]" 1
312 1 18 ARG HB2 1 31 TRP HE3 . . 5.410 5.070 3.989 5.486 0.076 9 0 "[ . 1 . 2]" 1
313 1 18 ARG HB2 1 31 TRP HH2 . . 5.440 3.969 3.381 5.384 . 0 0 "[ . 1 . 2]" 1
314 1 18 ARG HB2 1 31 TRP HZ3 . . 4.450 2.964 2.097 3.720 . 0 0 "[ . 1 . 2]" 1
315 1 18 ARG HB3 1 18 ARG HE . . 5.500 4.126 2.591 4.968 . 0 0 "[ . 1 . 2]" 1
316 1 18 ARG HB3 1 19 VAL H . . 3.610 2.464 2.248 2.688 . 0 0 "[ . 1 . 2]" 1
317 1 18 ARG HB3 1 20 TYR QD . . 4.880 4.729 4.441 4.879 . 0 0 "[ . 1 . 2]" 1
318 1 18 ARG HB3 1 31 TRP HE3 . . 5.410 3.882 3.057 4.569 . 0 0 "[ . 1 . 2]" 1
319 1 18 ARG HB3 1 31 TRP HH2 . . 5.440 4.128 3.344 5.181 . 0 0 "[ . 1 . 2]" 1
320 1 18 ARG HB3 1 31 TRP HZ3 . . 4.450 2.332 2.040 3.327 . 0 0 "[ . 1 . 2]" 1
321 1 18 ARG QD 1 31 TRP HZ3 . . 5.150 2.664 2.157 3.444 . 0 0 "[ . 1 . 2]" 1
322 1 18 ARG HD2 1 31 TRP HE3 . . 5.500 4.863 3.117 5.584 0.084 8 0 "[ . 1 . 2]" 1
323 1 18 ARG HD2 1 31 TRP HH2 . . 5.500 3.553 2.288 5.550 0.050 10 0 "[ . 1 . 2]" 1
324 1 18 ARG HD2 1 31 TRP HZ3 . . 5.500 3.295 2.218 4.288 . 0 0 "[ . 1 . 2]" 1
325 1 18 ARG HD3 1 31 TRP HE3 . . 5.500 4.433 2.580 5.559 0.059 7 0 "[ . 1 . 2]" 1
326 1 18 ARG HD3 1 31 TRP HH2 . . 5.500 3.842 2.309 5.569 0.069 15 0 "[ . 1 . 2]" 1
327 1 18 ARG HD3 1 31 TRP HZ3 . . 5.500 3.147 2.192 4.409 . 0 0 "[ . 1 . 2]" 1
328 1 18 ARG QG 1 19 VAL H . . 6.380 3.914 3.338 4.553 . 0 0 "[ . 1 . 2]" 1
329 1 18 ARG QG 1 31 TRP HE3 . . 6.380 4.812 3.203 5.721 . 0 0 "[ . 1 . 2]" 1
330 1 18 ARG QG 1 31 TRP HH2 . . 6.380 3.795 2.582 4.772 . 0 0 "[ . 1 . 2]" 1
331 1 19 VAL H 1 19 VAL HB . . 2.960 2.731 2.487 3.002 0.042 3 0 "[ . 1 . 2]" 1
332 1 19 VAL H 1 21 TYR HE1 . . 5.500 5.539 5.350 5.587 0.087 14 0 "[ . 1 . 2]" 1
333 1 19 VAL HA 1 20 TYR H . . 2.740 2.393 2.142 2.555 . 0 0 "[ . 1 . 2]" 1
334 1 19 VAL HA 1 20 TYR QB . . 5.420 4.698 4.241 4.839 . 0 0 "[ . 1 . 2]" 1
335 1 19 VAL HA 1 20 TYR QD . . 5.470 3.545 2.997 4.656 . 0 0 "[ . 1 . 2]" 1
336 1 19 VAL QG 1 20 TYR H . . 4.950 3.628 2.833 3.744 . 0 0 "[ . 1 . 2]" 1
337 1 19 VAL QG 1 20 TYR HA . . 8.090 4.109 3.619 4.340 . 0 0 "[ . 1 . 2]" 1
338 1 19 VAL QG 1 21 TYR HA . . 8.090 3.928 3.396 4.540 . 0 0 "[ . 1 . 2]" 1
339 1 19 VAL QG 1 21 TYR HD1 . . 4.380 2.644 2.017 3.142 . 0 0 "[ . 1 . 2]" 1
340 1 19 VAL QG 1 21 TYR HE1 . . 4.400 2.129 1.921 2.361 . 0 0 "[ . 1 . 2]" 1
341 1 19 VAL MG1 1 20 TYR H . . 5.540 4.258 3.682 4.410 . 0 0 "[ . 1 . 2]" 1
342 1 19 VAL MG1 1 21 TYR HD1 . . 4.790 3.483 3.143 3.799 . 0 0 "[ . 1 . 2]" 1
343 1 19 VAL MG1 1 21 TYR HE1 . . 5.160 2.244 2.057 2.482 . 0 0 "[ . 1 . 2]" 1
344 1 19 VAL MG2 1 20 TYR H . . 5.540 3.945 2.944 4.145 . 0 0 "[ . 1 . 2]" 1
345 1 19 VAL MG2 1 21 TYR HD1 . . 4.790 2.825 2.033 3.696 . 0 0 "[ . 1 . 2]" 1
346 1 19 VAL MG2 1 21 TYR HE1 . . 5.160 2.826 2.133 3.878 . 0 0 "[ . 1 . 2]" 1
347 1 20 TYR H 1 20 TYR QD . . 4.140 2.015 1.690 2.654 . 0 0 "[ . 1 . 2]" 1
348 1 20 TYR HA 1 21 TYR QB . . 5.730 4.519 4.410 4.720 . 0 0 "[ . 1 . 2]" 1
349 1 20 TYR HA 1 21 TYR HD1 . . 5.500 4.087 2.880 5.151 . 0 0 "[ . 1 . 2]" 1
350 1 20 TYR HA 1 21 TYR HE1 . . 5.500 5.208 4.511 5.582 0.082 20 0 "[ . 1 . 2]" 1
351 1 20 TYR HA 1 31 TRP HE3 . . 5.500 3.040 2.480 4.901 . 0 0 "[ . 1 . 2]" 1
352 1 20 TYR QB 1 29 SER QB . . 7.250 2.821 2.310 3.457 . 0 0 "[ . 1 . 2]" 1
353 1 20 TYR QB 1 30 GLN QG . . 7.260 5.581 5.382 5.658 . 0 0 "[ . 1 . 2]" 1
354 1 20 TYR QB 1 31 TRP HE3 . . 5.130 3.517 2.706 4.051 . 0 0 "[ . 1 . 2]" 1
355 1 20 TYR HB2 1 31 TRP HE3 . . 5.410 4.127 3.501 4.853 . 0 0 "[ . 1 . 2]" 1
356 1 20 TYR HB3 1 31 TRP HE3 . . 5.410 3.834 2.797 4.526 . 0 0 "[ . 1 . 2]" 1
357 1 20 TYR QD 1 21 TYR H . . 5.500 3.898 2.875 4.590 . 0 0 "[ . 1 . 2]" 1
358 1 20 TYR QD 1 29 SER HB2 . . 5.380 2.314 2.149 2.527 . 0 0 "[ . 1 . 2]" 1
359 1 20 TYR QD 1 29 SER QB . . 5.150 2.258 2.118 2.413 . 0 0 "[ . 1 . 2]" 1
360 1 20 TYR QD 1 29 SER HB3 . . 5.380 3.254 2.821 3.629 . 0 0 "[ . 1 . 2]" 1
361 1 20 TYR QD 1 30 GLN H . . 5.500 3.758 1.792 4.690 . 0 0 "[ . 1 . 2]" 1
362 1 20 TYR QE 1 22 PHE QB . . 5.200 3.318 2.145 3.857 . 0 0 "[ . 1 . 2]" 1
363 1 20 TYR QE 1 29 SER HB2 . . 5.410 3.219 2.598 3.611 . 0 0 "[ . 1 . 2]" 1
364 1 20 TYR QE 1 29 SER QB . . 5.090 2.636 2.177 3.036 . 0 0 "[ . 1 . 2]" 1
365 1 20 TYR QE 1 29 SER HB3 . . 5.410 2.865 2.218 3.398 . 0 0 "[ . 1 . 2]" 1
366 1 21 TYR H 1 21 TYR HB2 . . 3.920 2.755 2.398 3.261 . 0 0 "[ . 1 . 2]" 1
367 1 21 TYR H 1 21 TYR QB . . 3.620 2.668 2.366 3.067 . 0 0 "[ . 1 . 2]" 1
368 1 21 TYR H 1 21 TYR HB3 . . 3.920 3.677 3.550 3.790 . 0 0 "[ . 1 . 2]" 1
369 1 21 TYR H 1 21 TYR HD1 . . 4.260 2.697 1.785 3.637 . 0 0 "[ . 1 . 2]" 1
370 1 21 TYR H 1 30 GLN H . . 3.700 3.138 2.452 3.795 0.095 15 0 "[ . 1 . 2]" 1
371 1 21 TYR HA 1 21 TYR HD1 . . 4.110 2.434 2.048 2.940 . 0 0 "[ . 1 . 2]" 1
372 1 21 TYR HA 1 21 TYR HE1 . . 5.500 4.688 4.406 4.948 . 0 0 "[ . 1 . 2]" 1
373 1 21 TYR HA 1 22 PHE H . . 2.990 2.474 2.164 3.085 0.095 19 0 "[ . 1 . 2]" 1
374 1 21 TYR HA 1 22 PHE QB . . 5.700 3.927 3.692 4.123 . 0 0 "[ . 1 . 2]" 1
375 1 21 TYR QB 1 30 GLN QB . . 6.660 3.543 2.550 4.167 . 0 0 "[ . 1 . 2]" 1
376 1 21 TYR QB 1 34 PRO QG . . 7.250 3.905 3.012 5.176 . 0 0 "[ . 1 . 2]" 1
377 1 21 TYR HB2 1 21 TYR HD1 . . 3.730 3.620 3.292 3.757 0.027 15 0 "[ . 1 . 2]" 1
378 1 21 TYR HB2 1 21 TYR HE1 . . 5.310 5.311 5.185 5.399 0.089 13 0 "[ . 1 . 2]" 1
379 1 21 TYR HB2 1 22 PHE H . . 4.170 3.608 2.203 4.249 0.079 12 0 "[ . 1 . 2]" 1
380 1 21 TYR HB3 1 21 TYR HD1 . . 3.730 3.421 2.722 3.795 0.065 12 0 "[ . 1 . 2]" 1
381 1 21 TYR HB3 1 21 TYR HE1 . . 5.310 5.207 4.766 5.396 0.086 12 0 "[ . 1 . 2]" 1
382 1 21 TYR HB3 1 22 PHE H . . 4.170 2.678 1.911 3.406 . 0 0 "[ . 1 . 2]" 1
383 1 22 PHE H 1 22 PHE HB2 . . 3.550 3.466 3.050 3.645 0.095 17 0 "[ . 1 . 2]" 1
384 1 22 PHE H 1 22 PHE HB3 . . 3.550 2.668 2.287 3.608 0.058 19 0 "[ . 1 . 2]" 1
385 1 22 PHE HA 1 23 ASN H . . 3.020 2.317 2.027 3.098 0.078 15 0 "[ . 1 . 2]" 1
386 1 22 PHE HA 1 28 ALA MB . . 6.530 4.770 4.437 5.105 . 0 0 "[ . 1 . 2]" 1
387 1 22 PHE HA 1 29 SER HA . . 3.080 2.354 1.924 2.868 . 0 0 "[ . 1 . 2]" 1
388 1 22 PHE HA 1 29 SER HB2 . . 5.500 4.171 3.527 5.200 . 0 0 "[ . 1 . 2]" 1
389 1 22 PHE HA 1 29 SER QB . . 5.280 3.019 2.500 4.160 . 0 0 "[ . 1 . 2]" 1
390 1 22 PHE HA 1 29 SER HB3 . . 5.500 3.117 2.544 4.376 . 0 0 "[ . 1 . 2]" 1
391 1 22 PHE HA 1 30 GLN H . . 4.350 4.211 3.644 4.443 0.093 17 0 "[ . 1 . 2]" 1
392 1 22 PHE QB 1 29 SER QB . . 7.250 3.079 2.225 4.280 . 0 0 "[ . 1 . 2]" 1
393 1 22 PHE HB2 1 29 SER HA . . 5.310 3.924 3.203 4.461 . 0 0 "[ . 1 . 2]" 1
394 1 22 PHE HB3 1 29 SER HA . . 5.310 5.028 4.092 5.385 0.075 8 0 "[ . 1 . 2]" 1
395 1 22 PHE QD 1 23 ASN H . . 7.590 3.805 3.174 4.512 . 0 0 "[ . 1 . 2]" 1
396 1 22 PHE QD 1 23 ASN QB . . 8.500 4.734 4.507 5.104 . 0 0 "[ . 1 . 2]" 1
397 1 22 PHE QD 1 24 HIS HA . . 6.850 4.304 3.574 5.041 . 0 0 "[ . 1 . 2]" 1
398 1 22 PHE QD 1 24 HIS HB2 . . 7.620 5.438 4.107 6.473 . 0 0 "[ . 1 . 2]" 1
399 1 22 PHE QD 1 24 HIS HB3 . . 7.620 4.125 2.562 5.373 . 0 0 "[ . 1 . 2]" 1
400 1 22 PHE QD 1 28 ALA MB . . 8.280 5.283 4.623 6.021 . 0 0 "[ . 1 . 2]" 1
401 1 22 PHE QD 1 29 SER HA . . 6.600 4.327 3.427 5.468 . 0 0 "[ . 1 . 2]" 1
402 1 22 PHE QD 1 29 SER HB2 . . 7.620 5.077 3.994 6.296 . 0 0 "[ . 1 . 2]" 1
403 1 22 PHE QD 1 29 SER QB . . 7.340 3.444 2.256 4.622 . 0 0 "[ . 1 . 2]" 1
404 1 22 PHE QD 1 29 SER HB3 . . 7.620 3.514 2.269 4.784 . 0 0 "[ . 1 . 2]" 1
405 1 22 PHE QE 1 24 HIS HA . . 5.980 3.143 2.419 3.992 . 0 0 "[ . 1 . 2]" 1
406 1 22 PHE QE 1 24 HIS QB . . 8.500 3.247 2.231 4.099 . 0 0 "[ . 1 . 2]" 1
407 1 22 PHE QE 1 27 ASN HA . . 6.510 3.123 2.205 3.724 . 0 0 "[ . 1 . 2]" 1
408 1 22 PHE QE 1 27 ASN QB . . 8.500 2.738 2.058 3.873 . 0 0 "[ . 1 . 2]" 1
409 1 22 PHE HZ 1 24 HIS HB2 . . 5.500 5.209 3.716 5.576 0.076 13 0 "[ . 1 . 2]" 1
410 1 22 PHE HZ 1 24 HIS HB3 . . 5.500 5.073 4.096 5.573 0.073 8 0 "[ . 1 . 2]" 1
411 1 22 PHE HZ 1 27 ASN HA . . 4.040 3.656 2.800 4.118 0.078 16 0 "[ . 1 . 2]" 1
412 1 22 PHE HZ 1 27 ASN HB2 . . 5.500 4.127 2.892 5.140 . 0 0 "[ . 1 . 2]" 1
413 1 22 PHE HZ 1 27 ASN HB3 . . 5.500 3.955 2.477 5.565 0.065 7 0 "[ . 1 . 2]" 1
414 1 23 ASN H 1 23 ASN HB2 . . 3.640 2.644 2.286 3.609 . 0 0 "[ . 1 . 2]" 1
415 1 23 ASN H 1 23 ASN HB3 . . 3.640 2.759 2.313 3.712 0.072 16 0 "[ . 1 . 2]" 1
416 1 23 ASN H 1 28 ALA H . . 4.170 3.521 2.619 4.240 0.070 15 0 "[ . 1 . 2]" 1
417 1 23 ASN H 1 28 ALA MB . . 6.430 3.995 3.048 5.247 . 0 0 "[ . 1 . 2]" 1
418 1 23 ASN H 1 29 SER HA . . 4.200 3.565 2.979 4.295 0.095 16 0 "[ . 1 . 2]" 1
419 1 23 ASN HA 1 24 HIS H . . 2.900 2.350 1.943 2.981 0.081 15 0 "[ . 1 . 2]" 1
420 1 23 ASN QB 1 24 HIS H . . 3.710 3.287 2.464 3.472 . 0 0 "[ . 1 . 2]" 1
421 1 23 ASN QB 1 24 HIS HA . . 5.050 4.330 3.889 4.607 . 0 0 "[ . 1 . 2]" 1
422 1 23 ASN QB 1 25 ILE H . . 6.380 3.623 2.718 4.335 . 0 0 "[ . 1 . 2]" 1
423 1 23 ASN QB 1 25 ILE QG . . 7.250 5.159 4.030 5.824 . 0 0 "[ . 1 . 2]" 1
424 1 23 ASN QB 1 26 THR MG . . 7.410 4.260 3.656 5.271 . 0 0 "[ . 1 . 2]" 1
425 1 23 ASN QB 1 28 ALA H . . 5.040 2.373 1.872 3.478 . 0 0 "[ . 1 . 2]" 1
426 1 23 ASN QB 1 28 ALA MB . . 4.730 2.845 2.042 3.329 . 0 0 "[ . 1 . 2]" 1
427 1 23 ASN HB2 1 24 HIS H . . 3.950 3.936 2.775 4.046 0.096 6 0 "[ . 1 . 2]" 1
428 1 23 ASN HB2 1 28 ALA H . . 5.500 3.566 2.651 4.597 . 0 0 "[ . 1 . 2]" 1
429 1 23 ASN HB2 1 28 ALA MB . . 5.100 3.312 2.381 4.002 . 0 0 "[ . 1 . 2]" 1
430 1 23 ASN HB3 1 24 HIS H . . 3.950 3.584 2.520 4.023 0.073 10 0 "[ . 1 . 2]" 1
431 1 23 ASN HB3 1 28 ALA H . . 5.500 2.420 1.879 3.601 . 0 0 "[ . 1 . 2]" 1
432 1 23 ASN HB3 1 28 ALA MB . . 5.100 3.164 2.222 3.996 . 0 0 "[ . 1 . 2]" 1
433 1 23 ASN QD 1 25 ILE MD . . 7.400 3.543 1.931 5.417 . 0 0 "[ . 1 . 2]" 1
434 1 23 ASN QD 1 26 THR MG . . 7.120 3.102 2.230 4.564 . 0 0 "[ . 1 . 2]" 1
435 1 23 ASN QD 1 28 ALA MB . . 7.400 4.020 2.284 5.250 . 0 0 "[ . 1 . 2]" 1
436 1 24 HIS H 1 24 HIS HB2 . . 3.580 3.670 3.643 3.688 0.108 14 0 "[ . 1 . 2]" 1
437 1 24 HIS H 1 24 HIS HB3 . . 3.580 3.032 2.714 3.612 0.032 17 0 "[ . 1 . 2]" 1
438 1 24 HIS H 1 25 ILE H . . 3.390 2.194 1.561 2.678 . 0 0 "[ . 1 . 2]" 1
439 1 24 HIS HA 1 24 HIS HB2 . . 2.990 2.444 2.333 2.586 . 0 0 "[ . 1 . 2]" 1
440 1 24 HIS HA 1 24 HIS HB3 . . 2.990 2.417 2.326 2.525 . 0 0 "[ . 1 . 2]" 1
441 1 24 HIS HA 1 27 ASN QB . . 4.990 4.328 3.359 4.569 . 0 0 "[ . 1 . 2]" 1
442 1 24 HIS QB 1 25 ILE H . . 5.480 3.673 2.691 3.985 . 0 0 "[ . 1 . 2]" 1
443 1 24 HIS HB2 1 25 ILE MD . . 6.530 4.854 4.132 5.439 . 0 0 "[ . 1 . 2]" 1
444 1 24 HIS HB3 1 25 ILE MD . . 6.530 5.252 4.396 5.450 . 0 0 "[ . 1 . 2]" 1
445 1 24 HIS HD2 1 25 ILE MD . . 4.880 3.043 2.112 3.942 . 0 0 "[ . 1 . 2]" 1
446 1 24 HIS HD2 1 25 ILE QG . . 4.800 2.639 2.076 3.540 . 0 0 "[ . 1 . 2]" 1
447 1 24 HIS HE1 1 25 ILE MD . . 5.780 3.711 2.174 4.700 . 0 0 "[ . 1 . 2]" 1
448 1 24 HIS HE1 1 25 ILE HG12 . . 5.500 5.108 4.443 5.595 0.095 1 0 "[ . 1 . 2]" 1
449 1 24 HIS HE1 1 25 ILE HG13 . . 5.500 4.806 3.296 5.577 0.077 17 0 "[ . 1 . 2]" 1
450 1 25 ILE H 1 25 ILE HB . . 3.140 2.501 2.165 2.660 . 0 0 "[ . 1 . 2]" 1
451 1 25 ILE H 1 25 ILE HG12 . . 4.380 3.275 1.903 4.264 . 0 0 "[ . 1 . 2]" 1
452 1 25 ILE H 1 25 ILE QG . . 4.110 2.377 1.864 3.109 . 0 0 "[ . 1 . 2]" 1
453 1 25 ILE H 1 25 ILE HG13 . . 4.380 2.840 1.876 3.686 . 0 0 "[ . 1 . 2]" 1
454 1 25 ILE H 1 26 THR H . . 3.080 2.554 2.048 3.054 . 0 0 "[ . 1 . 2]" 1
455 1 25 ILE H 1 26 THR MG . . 6.030 4.223 3.567 4.836 . 0 0 "[ . 1 . 2]" 1
456 1 25 ILE H 1 27 ASN H . . 4.040 3.318 2.348 4.099 0.059 13 0 "[ . 1 . 2]" 1
457 1 25 ILE HA 1 25 ILE MD . . 4.640 3.321 2.147 3.990 . 0 0 "[ . 1 . 2]" 1
458 1 25 ILE HA 1 25 ILE HG12 . . 3.790 3.047 2.318 3.674 . 0 0 "[ . 1 . 2]" 1
459 1 25 ILE HA 1 25 ILE QG . . 3.580 2.657 2.136 3.102 . 0 0 "[ . 1 . 2]" 1
460 1 25 ILE HA 1 25 ILE HG13 . . 3.790 3.108 2.435 3.862 0.072 14 0 "[ . 1 . 2]" 1
461 1 25 ILE HA 1 26 THR MG . . 5.380 4.345 4.178 4.412 . 0 0 "[ . 1 . 2]" 1
462 1 25 ILE HB 1 26 THR H . . 3.330 2.411 2.000 3.349 0.019 13 0 "[ . 1 . 2]" 1
463 1 25 ILE HB 1 26 THR MG . . 4.360 2.696 2.305 3.323 . 0 0 "[ . 1 . 2]" 1
464 1 25 ILE MG 1 26 THR H . . 5.780 3.316 2.749 3.625 . 0 0 "[ . 1 . 2]" 1
465 1 25 ILE MG 1 26 THR HA . . 4.790 3.757 3.733 3.821 . 0 0 "[ . 1 . 2]" 1
466 1 25 ILE MG 1 26 THR HB . . 6.370 4.802 4.473 5.090 . 0 0 "[ . 1 . 2]" 1
467 1 26 THR H 1 26 THR MG . . 4.570 2.395 2.021 2.865 . 0 0 "[ . 1 . 2]" 1
468 1 26 THR H 1 27 ASN H . . 3.110 2.339 1.932 2.790 . 0 0 "[ . 1 . 2]" 1
469 1 26 THR H 1 28 ALA MB . . 6.530 4.707 3.945 5.094 . 0 0 "[ . 1 . 2]" 1
470 1 26 THR HA 1 26 THR HB . . 2.400 2.395 2.258 2.470 0.070 1 0 "[ . 1 . 2]" 1
471 1 26 THR HA 1 26 THR MG . . 3.430 2.395 2.245 2.619 . 0 0 "[ . 1 . 2]" 1
472 1 26 THR HA 1 27 ASN H . . 3.210 3.242 3.075 3.295 0.085 1 0 "[ . 1 . 2]" 1
473 1 26 THR HA 1 27 ASN QB . . 5.730 4.409 4.048 4.814 . 0 0 "[ . 1 . 2]" 1
474 1 26 THR HB 1 27 ASN QB . . 6.380 5.452 5.098 5.777 . 0 0 "[ . 1 . 2]" 1
475 1 26 THR HB 1 28 ALA MB . . 5.070 3.739 2.895 4.134 . 0 0 "[ . 1 . 2]" 1
476 1 26 THR MG 1 27 ASN H . . 6.530 4.113 3.767 4.432 . 0 0 "[ . 1 . 2]" 1
477 1 27 ASN H 1 27 ASN HA . . 2.770 2.264 2.189 2.339 . 0 0 "[ . 1 . 2]" 1
478 1 27 ASN H 1 28 ALA H . . 3.550 3.157 2.708 3.597 0.047 17 0 "[ . 1 . 2]" 1
479 1 27 ASN HA 1 28 ALA MB . . 6.530 4.463 4.068 4.799 . 0 0 "[ . 1 . 2]" 1
480 1 28 ALA HA 1 29 SER H . . 2.740 2.434 2.220 2.585 . 0 0 "[ . 1 . 2]" 1
481 1 28 ALA HA 1 29 SER HA . . 4.540 4.519 4.343 4.609 0.069 20 0 "[ . 1 . 2]" 1
482 1 28 ALA MB 1 29 SER HA . . 6.060 4.043 3.722 4.411 . 0 0 "[ . 1 . 2]" 1
483 1 28 ALA MB 1 30 GLN QB . . 7.410 4.533 3.905 5.379 . 0 0 "[ . 1 . 2]" 1
484 1 29 SER H 1 29 SER HB2 . . 3.980 3.674 3.202 3.896 . 0 0 "[ . 1 . 2]" 1
485 1 29 SER H 1 29 SER QB . . 3.770 3.120 2.703 3.383 . 0 0 "[ . 1 . 2]" 1
486 1 29 SER H 1 29 SER HB3 . . 3.980 3.406 2.785 3.846 . 0 0 "[ . 1 . 2]" 1
487 1 29 SER HA 1 30 GLN H . . 2.960 2.468 2.266 2.629 . 0 0 "[ . 1 . 2]" 1
488 1 29 SER HA 1 30 GLN HA . . 4.850 4.595 4.488 4.701 . 0 0 "[ . 1 . 2]" 1
489 1 29 SER HA 1 30 GLN QB . . 5.230 3.912 3.417 4.342 . 0 0 "[ . 1 . 2]" 1
490 1 29 SER HA 1 30 GLN QG . . 6.380 4.641 3.343 5.495 . 0 0 "[ . 1 . 2]" 1
491 1 29 SER HB2 1 30 GLN H . . 3.830 2.717 2.266 3.283 . 0 0 "[ . 1 . 2]" 1
492 1 29 SER HB3 1 30 GLN H . . 3.830 3.700 2.957 3.902 0.072 8 0 "[ . 1 . 2]" 1
493 1 30 GLN H 1 30 GLN HB2 . . 4.010 3.117 2.751 3.405 . 0 0 "[ . 1 . 2]" 1
494 1 30 GLN H 1 30 GLN QB . . 3.650 2.979 2.696 3.188 . 0 0 "[ . 1 . 2]" 1
495 1 30 GLN H 1 30 GLN HB3 . . 4.010 3.817 3.629 4.032 0.022 17 0 "[ . 1 . 2]" 1
496 1 30 GLN HA 1 31 TRP H . . 2.930 2.646 2.446 2.998 0.068 7 0 "[ . 1 . 2]" 1
497 1 30 GLN QB 1 31 TRP H . . 3.580 2.164 1.584 2.715 . 0 0 "[ . 1 . 2]" 1
498 1 30 GLN QB 1 31 TRP HD1 . . 6.380 4.976 3.866 5.639 . 0 0 "[ . 1 . 2]" 1
499 1 30 GLN QB 1 32 GLU H . . 4.000 2.691 2.480 2.871 . 0 0 "[ . 1 . 2]" 1
500 1 30 GLN HB2 1 31 TRP H . . 4.010 3.580 3.077 4.013 0.003 10 0 "[ . 1 . 2]" 1
501 1 30 GLN HB2 1 32 GLU H . . 4.350 4.325 3.527 4.441 0.091 14 0 "[ . 1 . 2]" 1
502 1 30 GLN HB3 1 31 TRP H . . 4.010 2.184 1.589 2.761 . 0 0 "[ . 1 . 2]" 1
503 1 30 GLN HB3 1 32 GLU H . . 4.350 2.719 2.531 2.909 . 0 0 "[ . 1 . 2]" 1
504 1 30 GLN QG 1 31 TRP H . . 6.380 3.034 1.932 4.261 . 0 0 "[ . 1 . 2]" 1
505 1 30 GLN QG 1 32 GLU H . . 6.380 4.173 3.447 4.739 . 0 0 "[ . 1 . 2]" 1
506 1 31 TRP H 1 31 TRP HB2 . . 3.670 2.612 2.445 3.290 . 0 0 "[ . 1 . 2]" 1
507 1 31 TRP H 1 31 TRP QB . . 3.390 2.524 2.407 2.658 . 0 0 "[ . 1 . 2]" 1
508 1 31 TRP H 1 31 TRP HB3 . . 3.670 3.595 2.567 3.747 0.077 16 0 "[ . 1 . 2]" 1
509 1 31 TRP H 1 31 TRP HD1 . . 4.290 3.324 2.729 4.336 0.046 7 0 "[ . 1 . 2]" 1
510 1 31 TRP H 1 32 GLU H . . 3.210 2.070 1.672 2.393 . 0 0 "[ . 1 . 2]" 1
511 1 31 TRP HA 1 31 TRP HE3 . . 3.450 2.570 2.270 2.934 . 0 0 "[ . 1 . 2]" 1
512 1 31 TRP HA 1 31 TRP HZ3 . . 4.850 4.830 4.624 4.928 0.078 4 0 "[ . 1 . 2]" 1
513 1 31 TRP QB 1 32 GLU H . . 3.760 2.894 2.595 3.044 . 0 0 "[ . 1 . 2]" 1
514 1 31 TRP HB2 1 32 GLU H . . 4.010 3.034 2.672 3.994 . 0 0 "[ . 1 . 2]" 1
515 1 31 TRP HB3 1 32 GLU H . . 4.010 3.981 2.629 4.099 0.089 8 0 "[ . 1 . 2]" 1
516 1 31 TRP HD1 1 32 GLU H . . 5.500 4.543 3.111 5.170 . 0 0 "[ . 1 . 2]" 1
517 1 32 GLU H 1 32 GLU HG2 . . 5.500 3.862 2.397 4.659 . 0 0 "[ . 1 . 2]" 1
518 1 32 GLU H 1 32 GLU QG . . 4.850 3.183 2.275 4.132 . 0 0 "[ . 1 . 2]" 1
519 1 32 GLU H 1 32 GLU HG3 . . 5.500 3.567 2.305 4.617 . 0 0 "[ . 1 . 2]" 1
520 1 32 GLU HA 1 32 GLU HG2 . . 3.890 3.065 2.359 3.657 . 0 0 "[ . 1 . 2]" 1
521 1 32 GLU HA 1 32 GLU QG . . 3.710 2.422 2.182 2.896 . 0 0 "[ . 1 . 2]" 1
522 1 32 GLU HA 1 32 GLU HG3 . . 3.890 2.852 2.208 3.841 . 0 0 "[ . 1 . 2]" 1
523 1 32 GLU HA 1 33 ARG H . . 2.620 2.618 2.214 2.715 0.095 9 0 "[ . 1 . 2]" 1
524 1 32 GLU HG2 1 33 ARG H . . 5.500 4.004 1.728 5.280 . 0 0 "[ . 1 . 2]" 1
525 1 32 GLU HG3 1 33 ARG H . . 5.500 4.010 1.720 4.863 . 0 0 "[ . 1 . 2]" 1
526 1 33 ARG H 1 33 ARG HG2 . . 5.500 3.557 2.235 4.700 . 0 0 "[ . 1 . 2]" 1
527 1 33 ARG H 1 33 ARG HG3 . . 5.500 3.466 2.185 4.894 . 0 0 "[ . 1 . 2]" 1
528 1 33 ARG H 1 34 PRO QD . . 6.380 4.225 3.892 4.605 . 0 0 "[ . 1 . 2]" 1
529 1 33 ARG HA 1 33 ARG HG2 . . 4.140 3.471 2.404 4.214 0.074 12 0 "[ . 1 . 2]" 1
530 1 33 ARG HA 1 33 ARG QG . . 3.920 2.953 2.192 3.538 . 0 0 "[ . 1 . 2]" 1
531 1 33 ARG HA 1 33 ARG HG3 . . 4.140 3.290 2.315 4.165 0.025 16 0 "[ . 1 . 2]" 1
532 1 33 ARG HA 1 34 PRO QD . . 3.610 2.101 1.937 2.225 . 0 0 "[ . 1 . 2]" 1
533 1 33 ARG HA 1 34 PRO HG2 . . 5.500 4.597 4.395 4.790 . 0 0 "[ . 1 . 2]" 1
534 1 33 ARG HA 1 34 PRO QG . . 5.260 4.039 3.879 4.159 . 0 0 "[ . 1 . 2]" 1
535 1 33 ARG HA 1 34 PRO HG3 . . 5.500 4.485 4.244 4.756 . 0 0 "[ . 1 . 2]" 1
536 1 33 ARG QB 1 34 PRO HD2 . . 6.380 3.477 2.537 4.388 . 0 0 "[ . 1 . 2]" 1
537 1 33 ARG QB 1 34 PRO HD3 . . 6.380 3.986 3.219 4.402 . 0 0 "[ . 1 . 2]" 1
538 1 33 ARG QG 1 34 PRO QD . . 6.940 3.815 2.503 4.599 . 0 0 "[ . 1 . 2]" 1
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