NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
400167 |
1ul4   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ul4
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 1248
_Distance_constraint_stats_list.Viol_count 623
_Distance_constraint_stats_list.Viol_total 115.944
_Distance_constraint_stats_list.Viol_max 0.078
_Distance_constraint_stats_list.Viol_rms 0.0025
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0093
_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 8 LEU 0.027 0.007 8 0 "[ . 1 . 2]"
1 9 ARG 0.050 0.024 9 0 "[ . 1 . 2]"
1 10 LEU 0.107 0.016 11 0 "[ . 1 . 2]"
1 11 CYS 0.129 0.016 11 0 "[ . 1 . 2]"
1 12 GLN 0.039 0.012 1 0 "[ . 1 . 2]"
1 13 VAL 0.196 0.013 16 0 "[ . 1 . 2]"
1 14 ASP 0.071 0.014 20 0 "[ . 1 . 2]"
1 15 ARG 0.118 0.023 20 0 "[ . 1 . 2]"
1 16 CYS 0.183 0.013 16 0 "[ . 1 . 2]"
1 17 THR 0.019 0.012 14 0 "[ . 1 . 2]"
1 18 ALA 0.066 0.012 14 0 "[ . 1 . 2]"
1 19 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 MET 0.014 0.005 13 0 "[ . 1 . 2]"
1 21 LYS 0.001 0.001 8 0 "[ . 1 . 2]"
1 22 GLU 0.005 0.002 17 0 "[ . 1 . 2]"
1 23 ALA 0.039 0.034 11 0 "[ . 1 . 2]"
1 24 LYS 0.039 0.034 11 0 "[ . 1 . 2]"
1 25 LEU 0.003 0.002 17 0 "[ . 1 . 2]"
1 26 TYR 0.006 0.003 5 0 "[ . 1 . 2]"
1 27 HIS 0.017 0.003 11 0 "[ . 1 . 2]"
1 28 ARG 0.015 0.008 9 0 "[ . 1 . 2]"
1 29 ARG 0.107 0.022 11 0 "[ . 1 . 2]"
1 30 HIS 0.016 0.004 1 0 "[ . 1 . 2]"
1 31 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 VAL 0.027 0.006 11 0 "[ . 1 . 2]"
1 33 CYS 0.013 0.004 14 0 "[ . 1 . 2]"
1 34 GLU 0.000 0.000 6 0 "[ . 1 . 2]"
1 35 VAL 0.129 0.012 1 0 "[ . 1 . 2]"
1 36 HIS 0.091 0.008 12 0 "[ . 1 . 2]"
1 37 ALA 0.009 0.004 12 0 "[ . 1 . 2]"
1 38 LYS 0.006 0.003 7 0 "[ . 1 . 2]"
1 39 ALA 0.008 0.004 1 0 "[ . 1 . 2]"
1 40 SER 0.002 0.002 17 0 "[ . 1 . 2]"
1 41 SER 0.013 0.004 1 0 "[ . 1 . 2]"
1 42 VAL 0.296 0.015 6 0 "[ . 1 . 2]"
1 43 PHE 0.283 0.015 6 0 "[ . 1 . 2]"
1 44 LEU 0.012 0.004 1 0 "[ . 1 . 2]"
1 45 SER 0.005 0.003 18 0 "[ . 1 . 2]"
1 46 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 LEU 0.196 0.048 1 0 "[ . 1 . 2]"
1 48 ASN 0.016 0.003 17 0 "[ . 1 . 2]"
1 49 GLN 0.028 0.007 1 0 "[ . 1 . 2]"
1 50 ARG 0.374 0.057 15 0 "[ . 1 . 2]"
1 51 PHE 0.018 0.004 12 0 "[ . 1 . 2]"
1 52 CYS 0.173 0.024 9 0 "[ . 1 . 2]"
1 53 GLN 0.477 0.050 11 0 "[ . 1 . 2]"
1 54 GLN 0.193 0.013 10 0 "[ . 1 . 2]"
1 55 CYS 0.350 0.029 10 0 "[ . 1 . 2]"
1 56 SER 0.076 0.015 16 0 "[ . 1 . 2]"
1 57 ARG 0.375 0.029 10 0 "[ . 1 . 2]"
1 58 PHE 0.027 0.005 4 0 "[ . 1 . 2]"
1 59 HIS 0.886 0.057 16 0 "[ . 1 . 2]"
1 60 ASP 0.024 0.008 7 0 "[ . 1 . 2]"
1 61 LEU 0.107 0.078 12 0 "[ . 1 . 2]"
1 62 GLN 0.023 0.004 10 0 "[ . 1 . 2]"
1 63 GLU 0.042 0.008 7 0 "[ . 1 . 2]"
1 64 PHE 0.222 0.024 9 0 "[ . 1 . 2]"
1 65 ASP 0.067 0.023 10 0 "[ . 1 . 2]"
1 66 GLU 0.262 0.047 11 0 "[ . 1 . 2]"
1 67 ALA 0.223 0.047 11 0 "[ . 1 . 2]"
1 68 LYS 0.013 0.005 20 0 "[ . 1 . 2]"
1 69 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 SER 0.355 0.052 7 0 "[ . 1 . 2]"
1 71 CYS 1.069 0.057 16 0 "[ . 1 . 2]"
1 72 ARG 0.056 0.027 2 0 "[ . 1 . 2]"
1 73 ARG 0.820 0.057 6 0 "[ . 1 . 2]"
1 74 ARG 1.078 0.057 6 0 "[ . 1 . 2]"
1 75 LEU 0.450 0.057 20 0 "[ . 1 . 2]"
1 76 ALA 0.030 0.007 9 0 "[ . 1 . 2]"
1 77 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 8 LEU HA 1 8 LEU QB 2.500 . 3.500 2.516 2.478 2.540 . 0 0 "[ . 1 . 2]" 1
2 1 8 LEU HA 1 8 LEU HB3 2.500 . 3.500 2.770 2.648 2.960 . 0 0 "[ . 1 . 2]" 1
3 1 8 LEU HA 1 8 LEU HB2 2.500 . 3.500 2.906 2.702 2.985 . 0 0 "[ . 1 . 2]" 1
4 1 8 LEU HA 1 8 LEU QD 2.500 . 3.500 2.449 1.826 2.937 . 0 0 "[ . 1 . 2]" 1
5 1 8 LEU HA 1 8 LEU MD1 2.500 . 3.500 2.753 1.959 3.507 0.007 7 0 "[ . 1 . 2]" 1
6 1 8 LEU HA 1 8 LEU MD2 2.500 . 3.500 2.829 1.989 3.507 0.007 8 0 "[ . 1 . 2]" 1
7 1 8 LEU HA 1 8 LEU HG 3.500 . 4.500 2.823 2.099 3.667 . 0 0 "[ . 1 . 2]" 1
8 1 8 LEU QB 1 8 LEU QD 2.000 . 2.800 1.907 1.728 2.093 . 0 0 "[ . 1 . 2]" 1
9 1 8 LEU QB 1 8 LEU MD1 2.000 . 2.800 2.137 1.947 2.389 . 0 0 "[ . 1 . 2]" 1
10 1 8 LEU QB 1 8 LEU MD2 2.000 . 2.800 2.150 1.927 2.371 . 0 0 "[ . 1 . 2]" 1
11 1 8 LEU HA 1 9 ARG H 2.000 . 2.800 2.274 2.144 2.697 . 0 0 "[ . 1 . 2]" 1
12 1 8 LEU QD 1 9 ARG H 3.500 . 4.500 3.026 2.279 4.119 . 0 0 "[ . 1 . 2]" 1
13 1 8 LEU HG 1 9 ARG H 5.000 2.500 6.000 4.291 2.903 5.880 . 0 0 "[ . 1 . 2]" 1
14 1 8 LEU QB 1 10 LEU QD 2.500 . 3.500 2.469 1.941 3.036 . 0 0 "[ . 1 . 2]" 1
15 1 8 LEU QB 1 20 MET QB 5.000 2.500 6.000 3.202 2.498 4.469 0.002 3 0 "[ . 1 . 2]" 1
16 1 8 LEU HB3 1 20 MET H 5.000 2.500 6.000 5.149 4.013 6.001 0.001 19 0 "[ . 1 . 2]" 1
17 1 8 LEU HB2 1 20 MET H 5.000 2.500 6.000 4.457 3.162 5.353 . 0 0 "[ . 1 . 2]" 1
18 1 8 LEU QD 1 20 MET H 5.000 2.500 6.000 5.132 4.208 5.482 . 0 0 "[ . 1 . 2]" 1
19 1 8 LEU QD 1 21 LYS HA 3.500 . 4.500 3.302 2.156 4.244 . 0 0 "[ . 1 . 2]" 1
20 1 8 LEU QD 1 21 LYS H 5.000 2.500 6.000 5.085 4.299 5.800 . 0 0 "[ . 1 . 2]" 1
21 1 9 ARG HA 1 9 ARG QB 2.500 . 3.500 2.475 2.342 2.539 . 0 0 "[ . 1 . 2]" 1
22 1 9 ARG HA 1 9 ARG HD3 3.500 . 4.500 3.673 2.248 4.524 0.024 9 0 "[ . 1 . 2]" 1
23 1 9 ARG HA 1 9 ARG HD2 3.500 . 4.500 3.477 1.998 4.516 0.016 9 0 "[ . 1 . 2]" 1
24 1 9 ARG HA 1 9 ARG HG3 3.500 . 4.500 3.054 2.150 3.822 . 0 0 "[ . 1 . 2]" 1
25 1 9 ARG HA 1 9 ARG HG2 3.500 . 4.500 2.710 2.152 3.555 . 0 0 "[ . 1 . 2]" 1
26 1 9 ARG H 1 9 ARG HB3 3.500 . 4.500 3.452 2.516 3.849 . 0 0 "[ . 1 . 2]" 1
27 1 9 ARG H 1 9 ARG QD 5.000 2.500 6.000 4.081 2.498 4.922 0.002 6 0 "[ . 1 . 2]" 1
28 1 9 ARG H 1 9 ARG HB2 3.500 . 4.500 2.339 2.080 2.842 . 0 0 "[ . 1 . 2]" 1
29 1 9 ARG H 1 9 ARG QG 3.500 . 4.500 3.321 2.305 4.005 . 0 0 "[ . 1 . 2]" 1
30 1 9 ARG H 1 9 ARG HG3 3.500 . 4.500 3.850 2.824 4.488 . 0 0 "[ . 1 . 2]" 1
31 1 9 ARG H 1 9 ARG HG2 3.500 . 4.500 3.841 2.327 4.504 0.004 3 0 "[ . 1 . 2]" 1
32 1 9 ARG HA 1 10 LEU HG 5.000 2.500 6.000 4.116 3.670 4.554 . 0 0 "[ . 1 . 2]" 1
33 1 9 ARG HA 1 10 LEU H 2.500 . 3.500 2.296 2.176 2.587 . 0 0 "[ . 1 . 2]" 1
34 1 9 ARG HB3 1 10 LEU H 5.000 2.500 6.000 4.118 3.849 4.478 . 0 0 "[ . 1 . 2]" 1
35 1 9 ARG HB2 1 10 LEU H 5.000 2.500 6.000 4.584 4.380 4.668 . 0 0 "[ . 1 . 2]" 1
36 1 9 ARG H 1 10 LEU H 5.000 2.500 6.000 3.907 3.009 4.267 . 0 0 "[ . 1 . 2]" 1
37 1 9 ARG HA 1 11 CYS H 3.500 . 4.500 3.455 3.158 3.856 . 0 0 "[ . 1 . 2]" 1
38 1 9 ARG QD 1 17 THR HA 5.000 2.500 6.000 5.369 4.023 6.001 0.001 17 0 "[ . 1 . 2]" 1
39 1 9 ARG HA 1 20 MET QB 5.000 2.500 6.000 4.302 3.429 5.706 . 0 0 "[ . 1 . 2]" 1
40 1 9 ARG HA 1 20 MET QG 5.000 2.500 6.000 5.136 3.937 5.979 . 0 0 "[ . 1 . 2]" 1
41 1 10 LEU HA 1 10 LEU QB 2.500 . 3.500 2.308 2.241 2.395 . 0 0 "[ . 1 . 2]" 1
42 1 10 LEU HA 1 10 LEU QD 2.000 . 2.800 2.343 1.948 2.631 . 0 0 "[ . 1 . 2]" 1
43 1 10 LEU HA 1 10 LEU HG 3.500 . 4.500 3.062 2.767 3.235 . 0 0 "[ . 1 . 2]" 1
44 1 10 LEU H 1 10 LEU QB 2.500 . 3.500 2.670 2.463 2.935 . 0 0 "[ . 1 . 2]" 1
45 1 10 LEU H 1 10 LEU QD 3.500 . 4.500 3.311 3.083 3.495 . 0 0 "[ . 1 . 2]" 1
46 1 10 LEU H 1 10 LEU HG 3.500 . 4.500 2.683 2.177 3.079 . 0 0 "[ . 1 . 2]" 1
47 1 10 LEU HA 1 11 CYS H 3.500 . 4.500 3.298 2.989 3.540 . 0 0 "[ . 1 . 2]" 1
48 1 10 LEU QB 1 11 CYS H 3.500 . 4.500 3.178 2.540 3.760 . 0 0 "[ . 1 . 2]" 1
49 1 10 LEU HG 1 11 CYS H 3.500 . 4.500 4.408 4.124 4.516 0.016 11 0 "[ . 1 . 2]" 1
50 1 10 LEU H 1 11 CYS QB 5.000 2.500 6.000 3.711 3.450 4.047 . 0 0 "[ . 1 . 2]" 1
51 1 10 LEU H 1 11 CYS H 2.500 . 3.500 2.101 1.944 2.610 . 0 0 "[ . 1 . 2]" 1
52 1 10 LEU H 1 20 MET QG 5.000 2.500 6.000 4.342 2.985 5.380 . 0 0 "[ . 1 . 2]" 1
53 1 10 LEU QB 1 31 LYS HA 5.000 2.500 6.000 3.601 3.125 4.076 . 0 0 "[ . 1 . 2]" 1
54 1 11 CYS HA 1 11 CYS QB 2.500 . 3.500 2.422 2.345 2.489 . 0 0 "[ . 1 . 2]" 1
55 1 11 CYS H 1 11 CYS QB 2.500 . 3.500 2.225 2.122 2.323 . 0 0 "[ . 1 . 2]" 1
56 1 11 CYS HA 1 12 GLN HA 5.000 2.500 6.000 4.352 4.335 4.372 . 0 0 "[ . 1 . 2]" 1
57 1 11 CYS HA 1 12 GLN H 2.500 . 3.500 2.174 2.141 2.232 . 0 0 "[ . 1 . 2]" 1
58 1 11 CYS QB 1 12 GLN H 3.500 . 4.500 3.656 3.497 3.809 . 0 0 "[ . 1 . 2]" 1
59 1 11 CYS QB 1 13 VAL HB 3.500 . 4.500 3.858 3.634 4.189 . 0 0 "[ . 1 . 2]" 1
60 1 11 CYS QB 1 13 VAL MG2 5.000 2.500 6.000 4.058 3.819 4.289 . 0 0 "[ . 1 . 2]" 1
61 1 11 CYS QB 1 13 VAL H 3.500 . 4.500 3.595 3.279 3.837 . 0 0 "[ . 1 . 2]" 1
62 1 11 CYS QB 1 16 CYS HB2 3.500 . 4.500 3.498 3.134 3.948 . 0 0 "[ . 1 . 2]" 1
63 1 11 CYS H 1 16 CYS HB3 5.000 2.500 6.000 5.252 4.563 5.814 . 0 0 "[ . 1 . 2]" 1
64 1 11 CYS H 1 20 MET QG 5.000 2.500 6.000 4.396 3.328 5.719 . 0 0 "[ . 1 . 2]" 1
65 1 11 CYS HA 1 31 LYS QB 3.500 . 4.500 3.406 2.931 4.050 . 0 0 "[ . 1 . 2]" 1
66 1 11 CYS HA 1 32 VAL HA 2.500 . 3.500 3.079 2.483 3.506 0.006 11 0 "[ . 1 . 2]" 1
67 1 11 CYS QB 1 32 VAL HA 3.500 . 4.500 3.837 3.429 4.085 . 0 0 "[ . 1 . 2]" 1
68 1 11 CYS HA 1 33 CYS H 5.000 2.500 6.000 4.428 3.930 5.184 . 0 0 "[ . 1 . 2]" 1
69 1 11 CYS QB 1 33 CYS H 3.500 . 4.500 3.863 3.407 4.502 0.002 11 0 "[ . 1 . 2]" 1
70 1 11 CYS QB 1 36 HIS HE1 5.000 2.500 6.000 4.777 4.470 4.956 . 0 0 "[ . 1 . 2]" 1
71 1 12 GLN HA 1 12 GLN QB 2.000 . 2.800 2.180 2.176 2.181 . 0 0 "[ . 1 . 2]" 1
72 1 12 GLN HA 1 12 GLN HB3 2.500 . 3.500 2.425 2.362 2.461 . 0 0 "[ . 1 . 2]" 1
73 1 12 GLN HA 1 12 GLN HB2 2.500 . 3.500 2.472 2.433 2.545 . 0 0 "[ . 1 . 2]" 1
74 1 12 GLN HA 1 12 GLN HG3 3.500 . 4.500 3.759 3.566 4.180 . 0 0 "[ . 1 . 2]" 1
75 1 12 GLN HA 1 12 GLN HG2 3.500 . 4.500 3.778 3.567 4.114 . 0 0 "[ . 1 . 2]" 1
76 1 12 GLN QB 1 12 GLN QE 3.500 . 4.500 2.990 2.495 3.525 . 0 0 "[ . 1 . 2]" 1
77 1 12 GLN QB 1 12 GLN QG 2.000 . 2.800 2.066 2.020 2.086 . 0 0 "[ . 1 . 2]" 1
78 1 12 GLN H 1 12 GLN QB 2.500 . 3.500 2.587 2.455 2.825 . 0 0 "[ . 1 . 2]" 1
79 1 12 GLN HB3 1 12 GLN QG 3.500 . 4.500 2.321 2.129 2.515 . 0 0 "[ . 1 . 2]" 1
80 1 12 GLN HB2 1 12 GLN QG 3.500 . 4.500 2.355 2.129 2.519 . 0 0 "[ . 1 . 2]" 1
81 1 12 GLN QE 1 12 GLN HG3 3.500 . 4.500 3.121 2.231 3.328 . 0 0 "[ . 1 . 2]" 1
82 1 12 GLN QE 1 12 GLN HG2 3.500 . 4.500 2.211 2.098 2.803 . 0 0 "[ . 1 . 2]" 1
83 1 12 GLN H 1 12 GLN QE 3.500 . 4.500 3.719 2.779 4.441 . 0 0 "[ . 1 . 2]" 1
84 1 12 GLN H 1 12 GLN HG3 2.500 . 3.500 3.049 2.021 3.512 0.012 1 0 "[ . 1 . 2]" 1
85 1 12 GLN H 1 12 GLN HG2 2.500 . 3.500 2.169 1.956 2.894 . 0 0 "[ . 1 . 2]" 1
86 1 12 GLN HA 1 13 VAL MG2 5.000 2.500 6.000 4.831 4.726 4.914 . 0 0 "[ . 1 . 2]" 1
87 1 12 GLN HA 1 13 VAL H 3.500 . 4.500 3.490 3.466 3.513 . 0 0 "[ . 1 . 2]" 1
88 1 12 GLN QB 1 13 VAL H 3.500 . 4.500 3.522 3.421 3.597 . 0 0 "[ . 1 . 2]" 1
89 1 12 GLN QG 1 13 VAL HA 5.000 2.500 6.000 3.430 3.200 3.838 . 0 0 "[ . 1 . 2]" 1
90 1 12 GLN QG 1 13 VAL MG2 3.500 . 4.500 2.325 2.023 2.657 . 0 0 "[ . 1 . 2]" 1
91 1 12 GLN HG3 1 13 VAL MG2 3.500 . 4.500 2.481 2.037 3.448 . 0 0 "[ . 1 . 2]" 1
92 1 12 GLN HG2 1 13 VAL MG2 3.500 . 4.500 3.143 2.627 4.057 . 0 0 "[ . 1 . 2]" 1
93 1 12 GLN QE 1 31 LYS QB 3.500 . 4.500 3.429 2.506 4.486 . 0 0 "[ . 1 . 2]" 1
94 1 12 GLN H 1 31 LYS HA 5.000 2.500 6.000 4.878 4.120 5.995 . 0 0 "[ . 1 . 2]" 1
95 1 12 GLN H 1 31 LYS QB 5.000 2.500 6.000 3.206 2.654 3.921 . 0 0 "[ . 1 . 2]" 1
96 1 12 GLN QE 1 32 VAL HB 3.500 . 4.500 3.094 2.174 4.257 . 0 0 "[ . 1 . 2]" 1
97 1 12 GLN QG 1 32 VAL HB 3.500 . 4.500 3.472 2.399 4.503 0.003 1 0 "[ . 1 . 2]" 1
98 1 12 GLN H 1 32 VAL HA 3.500 . 4.500 3.543 2.984 4.392 . 0 0 "[ . 1 . 2]" 1
99 1 12 GLN H 1 32 VAL HB 5.000 2.500 6.000 4.410 3.842 5.142 . 0 0 "[ . 1 . 2]" 1
100 1 12 GLN H 1 32 VAL MG2 5.000 2.500 6.000 4.524 4.024 4.994 . 0 0 "[ . 1 . 2]" 1
101 1 12 GLN QG 1 44 LEU QD 3.500 . 4.500 3.380 2.530 4.227 . 0 0 "[ . 1 . 2]" 1
102 1 12 GLN H 1 44 LEU QD 5.000 2.500 6.000 5.497 4.894 5.869 . 0 0 "[ . 1 . 2]" 1
103 1 12 GLN QE 1 58 PHE QD 3.500 . 4.500 2.906 2.065 4.129 . 0 0 "[ . 1 . 2]" 1
104 1 12 GLN QE 1 58 PHE QE 3.500 . 4.500 3.152 2.019 4.041 . 0 0 "[ . 1 . 2]" 1
105 1 12 GLN QG 1 58 PHE QD 5.000 2.500 6.000 3.803 2.882 4.710 . 0 0 "[ . 1 . 2]" 1
106 1 12 GLN QG 1 58 PHE QE 3.500 . 4.500 3.297 2.349 4.061 . 0 0 "[ . 1 . 2]" 1
107 1 12 GLN H 1 58 PHE QE 5.000 2.500 6.000 5.439 4.913 5.874 . 0 0 "[ . 1 . 2]" 1
108 1 13 VAL HA 1 13 VAL MG1 2.500 . 3.500 2.313 2.164 2.389 . 0 0 "[ . 1 . 2]" 1
109 1 13 VAL HA 1 13 VAL MG2 2.500 . 3.500 2.459 2.376 2.509 . 0 0 "[ . 1 . 2]" 1
110 1 13 VAL HB 1 13 VAL MG1 2.000 . 2.800 2.109 2.088 2.129 . 0 0 "[ . 1 . 2]" 1
111 1 13 VAL HB 1 13 VAL MG2 2.000 . 2.800 2.097 2.085 2.121 . 0 0 "[ . 1 . 2]" 1
112 1 13 VAL H 1 13 VAL HB 2.500 . 3.500 2.720 2.662 2.772 . 0 0 "[ . 1 . 2]" 1
113 1 13 VAL MG1 1 13 VAL MG2 2.000 . 2.800 2.009 1.897 2.094 . 0 0 "[ . 1 . 2]" 1
114 1 13 VAL H 1 13 VAL MG1 3.500 . 4.500 3.756 3.747 3.776 . 0 0 "[ . 1 . 2]" 1
115 1 13 VAL H 1 13 VAL MG2 2.500 . 3.500 2.020 1.928 2.125 . 0 0 "[ . 1 . 2]" 1
116 1 13 VAL HA 1 14 ASP HA 3.500 . 4.500 4.358 4.348 4.399 . 0 0 "[ . 1 . 2]" 1
117 1 13 VAL HA 1 14 ASP HB2 5.000 2.500 6.000 4.454 4.259 4.801 . 0 0 "[ . 1 . 2]" 1
118 1 13 VAL HA 1 14 ASP H 2.000 . 2.800 2.210 2.142 2.245 . 0 0 "[ . 1 . 2]" 1
119 1 13 VAL HB 1 14 ASP H 5.000 2.500 6.000 3.875 3.715 4.248 . 0 0 "[ . 1 . 2]" 1
120 1 13 VAL MG1 1 14 ASP HA 5.000 2.500 6.000 4.043 3.925 4.180 . 0 0 "[ . 1 . 2]" 1
121 1 13 VAL MG1 1 14 ASP H 2.500 . 3.500 2.171 1.955 2.820 . 0 0 "[ . 1 . 2]" 1
122 1 13 VAL MG2 1 14 ASP H 3.500 . 4.500 4.086 4.030 4.215 . 0 0 "[ . 1 . 2]" 1
123 1 13 VAL H 1 14 ASP H 5.000 2.500 6.000 4.595 4.456 4.630 . 0 0 "[ . 1 . 2]" 1
124 1 13 VAL MG1 1 15 ARG H 5.000 2.500 6.000 5.034 4.855 5.104 . 0 0 "[ . 1 . 2]" 1
125 1 13 VAL HB 1 16 CYS HA 5.000 2.500 6.000 4.794 4.403 4.986 . 0 0 "[ . 1 . 2]" 1
126 1 13 VAL HB 1 16 CYS HB2 2.500 . 3.500 2.716 2.620 2.891 . 0 0 "[ . 1 . 2]" 1
127 1 13 VAL HB 1 16 CYS H 5.000 2.500 6.000 4.752 4.628 4.795 . 0 0 "[ . 1 . 2]" 1
128 1 13 VAL MG1 1 16 CYS HA 5.000 2.500 6.000 4.401 3.655 4.852 . 0 0 "[ . 1 . 2]" 1
129 1 13 VAL MG1 1 16 CYS HB3 5.000 2.500 6.000 4.736 4.212 5.126 . 0 0 "[ . 1 . 2]" 1
130 1 13 VAL MG1 1 16 CYS HB2 3.500 . 4.500 3.379 2.767 3.733 . 0 0 "[ . 1 . 2]" 1
131 1 13 VAL MG1 1 16 CYS H 3.500 . 4.500 4.374 4.105 4.504 0.004 19 0 "[ . 1 . 2]" 1
132 1 13 VAL MG2 1 16 CYS HA 5.000 2.500 6.000 5.855 5.484 6.011 0.011 7 0 "[ . 1 . 2]" 1
133 1 13 VAL MG2 1 16 CYS HB2 5.000 2.500 6.000 4.227 4.117 4.343 . 0 0 "[ . 1 . 2]" 1
134 1 13 VAL MG2 1 16 CYS H 5.000 2.500 6.000 5.998 5.903 6.013 0.013 16 0 "[ . 1 . 2]" 1
135 1 13 VAL MG2 1 32 VAL MG1 5.000 2.500 6.000 4.916 4.428 5.698 . 0 0 "[ . 1 . 2]" 1
136 1 13 VAL MG2 1 32 VAL MG2 3.500 . 4.500 2.746 2.276 3.533 . 0 0 "[ . 1 . 2]" 1
137 1 13 VAL H 1 32 VAL HA 5.000 2.500 6.000 4.445 3.942 5.234 . 0 0 "[ . 1 . 2]" 1
138 1 13 VAL H 1 32 VAL MG2 5.000 2.500 6.000 4.349 3.911 5.038 . 0 0 "[ . 1 . 2]" 1
139 1 13 VAL HB 1 36 HIS HE1 3.500 . 4.500 3.151 2.913 3.647 . 0 0 "[ . 1 . 2]" 1
140 1 13 VAL MG1 1 36 HIS HB3 5.000 2.500 6.000 3.898 3.338 4.860 . 0 0 "[ . 1 . 2]" 1
141 1 13 VAL MG1 1 36 HIS HD2 5.000 2.500 6.000 3.127 2.586 4.005 . 0 0 "[ . 1 . 2]" 1
142 1 13 VAL MG1 1 36 HIS HE1 3.500 . 4.500 3.055 2.729 3.389 . 0 0 "[ . 1 . 2]" 1
143 1 13 VAL MG2 1 36 HIS HB3 2.500 . 3.500 2.466 2.130 3.222 . 0 0 "[ . 1 . 2]" 1
144 1 13 VAL MG2 1 36 HIS HB2 3.500 . 4.500 3.098 2.723 3.985 . 0 0 "[ . 1 . 2]" 1
145 1 13 VAL MG2 1 36 HIS HD2 5.000 2.500 6.000 3.590 3.038 4.117 . 0 0 "[ . 1 . 2]" 1
146 1 13 VAL MG2 1 36 HIS HE1 5.000 2.500 6.000 4.066 3.655 4.437 . 0 0 "[ . 1 . 2]" 1
147 1 13 VAL MG2 1 36 HIS H 5.000 2.500 6.000 5.034 4.737 5.735 . 0 0 "[ . 1 . 2]" 1
148 1 13 VAL MG1 1 42 VAL HA 5.000 2.500 6.000 4.582 4.282 4.868 . 0 0 "[ . 1 . 2]" 1
149 1 13 VAL MG1 1 42 VAL HB 2.500 . 3.500 3.420 3.076 3.504 0.004 7 0 "[ . 1 . 2]" 1
150 1 13 VAL MG1 1 42 VAL QG 2.000 . 2.800 1.768 1.673 1.897 . 0 0 "[ . 1 . 2]" 1
151 1 13 VAL MG2 1 42 VAL MG1 2.500 . 3.500 2.655 2.117 3.254 . 0 0 "[ . 1 . 2]" 1
152 1 13 VAL MG2 1 42 VAL MG2 2.500 . 3.500 3.222 3.006 3.444 . 0 0 "[ . 1 . 2]" 1
153 1 13 VAL MG1 1 43 PHE H 3.500 . 4.500 3.859 3.385 4.482 . 0 0 "[ . 1 . 2]" 1
154 1 13 VAL HA 1 44 LEU QD 2.500 . 3.500 2.123 1.861 2.750 . 0 0 "[ . 1 . 2]" 1
155 1 13 VAL HA 1 44 LEU HG 5.000 2.500 6.000 3.825 2.499 5.012 0.001 8 0 "[ . 1 . 2]" 1
156 1 13 VAL HB 1 44 LEU QD 3.500 . 4.500 4.115 3.880 4.445 . 0 0 "[ . 1 . 2]" 1
157 1 13 VAL MG1 1 44 LEU MD1 3.500 . 4.500 2.273 1.999 2.824 0.001 12 0 "[ . 1 . 2]" 1
158 1 13 VAL MG1 1 44 LEU MD2 3.500 . 4.500 3.869 2.623 4.444 . 0 0 "[ . 1 . 2]" 1
159 1 13 VAL MG2 1 44 LEU QD 2.500 . 3.500 2.686 2.182 3.187 . 0 0 "[ . 1 . 2]" 1
160 1 13 VAL MG2 1 44 LEU MD1 3.500 . 4.500 2.797 2.199 3.672 . 0 0 "[ . 1 . 2]" 1
161 1 13 VAL MG2 1 44 LEU MD2 3.500 . 4.500 3.788 2.892 4.474 . 0 0 "[ . 1 . 2]" 1
162 1 13 VAL H 1 44 LEU MD1 5.000 2.500 6.000 4.294 3.624 4.862 . 0 0 "[ . 1 . 2]" 1
163 1 13 VAL H 1 44 LEU MD2 5.000 2.500 6.000 5.122 4.039 5.767 . 0 0 "[ . 1 . 2]" 1
164 1 13 VAL MG1 1 58 PHE QE 5.000 2.500 6.000 4.331 3.799 4.865 . 0 0 "[ . 1 . 2]" 1
165 1 13 VAL MG2 1 58 PHE QD 5.000 2.500 6.000 4.140 3.432 4.624 . 0 0 "[ . 1 . 2]" 1
166 1 13 VAL MG2 1 58 PHE QE 2.500 . 3.500 2.963 2.277 3.344 . 0 0 "[ . 1 . 2]" 1
167 1 13 VAL MG2 1 58 PHE HZ 2.500 . 3.500 2.807 2.216 3.408 . 0 0 "[ . 1 . 2]" 1
168 1 13 VAL H 1 58 PHE QE 5.000 2.500 6.000 4.894 4.177 5.414 . 0 0 "[ . 1 . 2]" 1
169 1 14 ASP HA 1 14 ASP HB3 2.500 . 3.500 2.576 2.399 2.698 . 0 0 "[ . 1 . 2]" 1
170 1 14 ASP HA 1 14 ASP HB2 2.500 . 3.500 3.003 2.966 3.027 . 0 0 "[ . 1 . 2]" 1
171 1 14 ASP H 1 14 ASP HA 2.500 . 3.500 2.898 2.850 2.911 . 0 0 "[ . 1 . 2]" 1
172 1 14 ASP H 1 14 ASP HB3 3.500 . 4.500 3.562 3.469 3.654 . 0 0 "[ . 1 . 2]" 1
173 1 14 ASP H 1 14 ASP HB2 2.500 . 3.500 2.334 2.202 2.613 . 0 0 "[ . 1 . 2]" 1
174 1 14 ASP HA 1 15 ARG HA 3.500 . 4.500 4.498 4.465 4.514 0.014 20 0 "[ . 1 . 2]" 1
175 1 14 ASP HA 1 15 ARG H 2.000 . 2.800 2.360 2.312 2.392 . 0 0 "[ . 1 . 2]" 1
176 1 14 ASP HB3 1 15 ARG QG 3.500 . 4.500 3.780 2.653 4.483 . 0 0 "[ . 1 . 2]" 1
177 1 14 ASP HB3 1 15 ARG H 3.500 . 4.500 2.561 2.483 2.682 . 0 0 "[ . 1 . 2]" 1
178 1 14 ASP HB2 1 15 ARG QG 5.000 2.500 6.000 4.733 2.877 5.683 . 0 0 "[ . 1 . 2]" 1
179 1 14 ASP HB2 1 15 ARG H 3.500 . 4.500 3.826 3.464 4.010 . 0 0 "[ . 1 . 2]" 1
180 1 14 ASP H 1 15 ARG H 5.000 2.500 6.000 4.589 4.571 4.624 . 0 0 "[ . 1 . 2]" 1
181 1 14 ASP HA 1 16 CYS H 3.500 . 4.500 3.218 3.140 3.341 . 0 0 "[ . 1 . 2]" 1
182 1 14 ASP HB2 1 44 LEU HA 5.000 2.500 6.000 3.771 2.759 4.532 . 0 0 "[ . 1 . 2]" 1
183 1 14 ASP H 1 44 LEU HA 5.000 2.500 6.000 3.846 2.816 4.534 . 0 0 "[ . 1 . 2]" 1
184 1 14 ASP H 1 44 LEU QD 3.500 . 4.500 2.638 2.001 3.383 . 0 0 "[ . 1 . 2]" 1
185 1 14 ASP HB3 1 45 SER H 5.000 2.500 6.000 5.069 3.483 6.002 0.002 6 0 "[ . 1 . 2]" 1
186 1 15 ARG HA 1 15 ARG HB3 2.500 . 3.500 2.654 2.391 2.879 . 0 0 "[ . 1 . 2]" 1
187 1 15 ARG HA 1 15 ARG HB2 2.500 . 3.500 2.966 2.819 3.017 . 0 0 "[ . 1 . 2]" 1
188 1 15 ARG HA 1 15 ARG QG 2.500 . 3.500 2.282 2.020 2.608 . 0 0 "[ . 1 . 2]" 1
189 1 15 ARG H 1 15 ARG HA 2.000 . 2.800 2.272 2.268 2.274 . 0 0 "[ . 1 . 2]" 1
190 1 15 ARG HB3 1 15 ARG QD 5.000 2.500 6.000 2.901 2.477 3.473 0.023 20 0 "[ . 1 . 2]" 1
191 1 15 ARG HB3 1 15 ARG HD3 3.500 . 4.500 3.238 2.551 3.712 . 0 0 "[ . 1 . 2]" 1
192 1 15 ARG HB3 1 15 ARG HD2 3.500 . 4.500 3.485 2.548 4.228 . 0 0 "[ . 1 . 2]" 1
193 1 15 ARG HB3 1 15 ARG QG 2.500 . 3.500 2.255 2.133 2.521 . 0 0 "[ . 1 . 2]" 1
194 1 15 ARG H 1 15 ARG HB3 5.000 2.500 6.000 4.080 4.005 4.101 . 0 0 "[ . 1 . 2]" 1
195 1 15 ARG HB2 1 15 ARG HD3 3.500 . 4.500 2.864 2.083 4.163 . 0 0 "[ . 1 . 2]" 1
196 1 15 ARG HB2 1 15 ARG HD2 3.500 . 4.500 3.170 2.004 4.191 . 0 0 "[ . 1 . 2]" 1
197 1 15 ARG HB2 1 15 ARG QG 2.500 . 3.500 2.371 2.136 2.516 . 0 0 "[ . 1 . 2]" 1
198 1 15 ARG H 1 15 ARG HB2 3.500 . 4.500 3.341 3.122 3.689 . 0 0 "[ . 1 . 2]" 1
199 1 15 ARG HD3 1 15 ARG QG 2.500 . 3.500 2.341 2.138 2.517 . 0 0 "[ . 1 . 2]" 1
200 1 15 ARG HD2 1 15 ARG QG 2.500 . 3.500 2.282 2.143 2.527 . 0 0 "[ . 1 . 2]" 1
201 1 15 ARG H 1 15 ARG QG 3.500 . 4.500 3.214 2.616 3.674 . 0 0 "[ . 1 . 2]" 1
202 1 15 ARG HA 1 16 CYS H 3.500 . 4.500 3.019 2.933 3.088 . 0 0 "[ . 1 . 2]" 1
203 1 15 ARG HB3 1 16 CYS H 5.000 2.500 6.000 4.283 4.059 4.497 . 0 0 "[ . 1 . 2]" 1
204 1 15 ARG HB2 1 16 CYS H 5.000 2.500 6.000 4.081 3.901 4.212 . 0 0 "[ . 1 . 2]" 1
205 1 15 ARG H 1 16 CYS H 3.500 . 4.500 2.648 2.614 2.670 . 0 0 "[ . 1 . 2]" 1
206 1 16 CYS HA 1 16 CYS HB2 2.500 . 3.500 2.453 2.426 2.488 . 0 0 "[ . 1 . 2]" 1
207 1 16 CYS H 1 16 CYS HB3 2.500 . 3.500 2.478 2.427 2.539 . 0 0 "[ . 1 . 2]" 1
208 1 16 CYS H 1 16 CYS HB2 2.500 . 3.500 2.707 2.626 2.781 . 0 0 "[ . 1 . 2]" 1
209 1 16 CYS HA 1 17 THR MG 3.500 . 4.500 3.892 3.481 4.334 . 0 0 "[ . 1 . 2]" 1
210 1 16 CYS HA 1 17 THR H 2.000 . 2.800 2.179 2.141 2.266 . 0 0 "[ . 1 . 2]" 1
211 1 16 CYS HB2 1 17 THR H 3.500 . 4.500 4.215 3.940 4.463 . 0 0 "[ . 1 . 2]" 1
212 1 16 CYS H 1 17 THR H 5.000 2.500 6.000 4.489 4.258 4.620 . 0 0 "[ . 1 . 2]" 1
213 1 16 CYS HA 1 18 ALA H 3.500 . 4.500 3.752 3.474 4.011 . 0 0 "[ . 1 . 2]" 1
214 1 16 CYS HA 1 36 HIS HE1 3.500 . 4.500 2.547 2.061 3.295 . 0 0 "[ . 1 . 2]" 1
215 1 16 CYS HB3 1 36 HIS HE1 5.000 2.500 6.000 3.733 3.528 4.015 . 0 0 "[ . 1 . 2]" 1
216 1 16 CYS HB2 1 36 HIS HE1 2.500 . 3.500 2.221 1.972 2.798 . 0 0 "[ . 1 . 2]" 1
217 1 17 THR HA 1 17 THR MG 2.500 . 3.500 2.482 2.145 3.205 . 0 0 "[ . 1 . 2]" 1
218 1 17 THR H 1 17 THR HA 2.500 . 3.500 2.935 2.904 2.950 . 0 0 "[ . 1 . 2]" 1
219 1 17 THR HB 1 17 THR MG 2.000 . 2.800 2.119 2.102 2.134 . 0 0 "[ . 1 . 2]" 1
220 1 17 THR H 1 17 THR HB 5.000 2.500 6.000 3.574 2.974 3.906 . 0 0 "[ . 1 . 2]" 1
221 1 17 THR H 1 17 THR MG 2.500 . 3.500 2.784 1.938 3.320 . 0 0 "[ . 1 . 2]" 1
222 1 17 THR HA 1 18 ALA H 3.500 . 4.500 3.110 2.860 3.502 . 0 0 "[ . 1 . 2]" 1
223 1 17 THR HB 1 18 ALA H 5.000 2.500 6.000 4.275 3.614 4.630 . 0 0 "[ . 1 . 2]" 1
224 1 17 THR MG 1 18 ALA H 5.000 2.500 6.000 4.010 2.488 4.431 0.012 14 0 "[ . 1 . 2]" 1
225 1 17 THR H 1 18 ALA H 2.500 . 3.500 2.355 1.956 2.830 . 0 0 "[ . 1 . 2]" 1
226 1 17 THR H 1 36 HIS HE1 5.000 2.500 6.000 4.016 3.027 4.757 . 0 0 "[ . 1 . 2]" 1
227 1 18 ALA HA 1 18 ALA MB 2.000 . 2.800 2.105 2.085 2.128 . 0 0 "[ . 1 . 2]" 1
228 1 18 ALA H 1 18 ALA MB 2.000 . 2.800 2.194 2.072 2.309 . 0 0 "[ . 1 . 2]" 1
229 1 18 ALA HA 1 19 ASP HB2 5.000 2.500 6.000 4.251 3.997 4.384 . 0 0 "[ . 1 . 2]" 1
230 1 18 ALA HA 1 19 ASP H 2.000 . 2.800 2.310 2.139 2.776 . 0 0 "[ . 1 . 2]" 1
231 1 18 ALA MB 1 19 ASP H 2.500 . 3.500 2.746 2.007 3.246 . 0 0 "[ . 1 . 2]" 1
232 1 18 ALA H 1 19 ASP H 5.000 2.500 6.000 4.545 4.379 4.621 . 0 0 "[ . 1 . 2]" 1
233 1 18 ALA MB 1 20 MET QG 3.500 . 4.500 3.725 3.212 4.500 0.000 19 0 "[ . 1 . 2]" 1
234 1 18 ALA MB 1 20 MET H 5.000 2.500 6.000 4.957 4.439 5.528 . 0 0 "[ . 1 . 2]" 1
235 1 18 ALA MB 1 33 CYS HA 5.000 2.500 6.000 5.097 4.553 5.640 . 0 0 "[ . 1 . 2]" 1
236 1 18 ALA MB 1 33 CYS QB 2.500 . 3.500 3.026 2.669 3.352 . 0 0 "[ . 1 . 2]" 1
237 1 18 ALA MB 1 35 VAL HB 3.500 . 4.500 3.529 2.706 4.233 . 0 0 "[ . 1 . 2]" 1
238 1 18 ALA MB 1 35 VAL MG2 2.500 . 3.500 2.725 1.721 3.512 0.012 1 0 "[ . 1 . 2]" 1
239 1 18 ALA MB 1 35 VAL H 5.000 2.500 6.000 4.326 3.624 4.806 . 0 0 "[ . 1 . 2]" 1
240 1 18 ALA H 1 36 HIS HE1 5.000 2.500 6.000 4.665 3.768 5.233 . 0 0 "[ . 1 . 2]" 1
241 1 19 ASP HA 1 19 ASP HB3 2.500 . 3.500 2.992 2.962 3.024 . 0 0 "[ . 1 . 2]" 1
242 1 19 ASP HA 1 19 ASP HB2 2.500 . 3.500 2.623 2.512 2.700 . 0 0 "[ . 1 . 2]" 1
243 1 19 ASP H 1 19 ASP HB3 2.500 . 3.500 2.826 2.607 3.122 . 0 0 "[ . 1 . 2]" 1
244 1 19 ASP H 1 19 ASP HB2 2.500 . 3.500 2.479 2.165 2.901 . 0 0 "[ . 1 . 2]" 1
245 1 19 ASP HA 1 20 MET QG 5.000 2.500 6.000 4.403 3.588 5.433 . 0 0 "[ . 1 . 2]" 1
246 1 19 ASP HA 1 20 MET H 2.500 . 3.500 2.187 2.140 2.383 . 0 0 "[ . 1 . 2]" 1
247 1 19 ASP HB3 1 20 MET H 5.000 2.500 6.000 3.920 3.176 4.233 . 0 0 "[ . 1 . 2]" 1
248 1 19 ASP HB2 1 20 MET H 5.000 2.500 6.000 4.355 4.044 4.580 . 0 0 "[ . 1 . 2]" 1
249 1 19 ASP H 1 20 MET H 5.000 2.500 6.000 4.460 4.133 4.604 . 0 0 "[ . 1 . 2]" 1
250 1 19 ASP HA 1 21 LYS H 5.000 2.500 6.000 3.856 3.599 4.226 . 0 0 "[ . 1 . 2]" 1
251 1 19 ASP HB3 1 21 LYS H 5.000 2.500 6.000 3.475 2.715 4.065 . 0 0 "[ . 1 . 2]" 1
252 1 20 MET HA 1 20 MET QB 3.500 . 4.500 2.470 2.326 2.540 . 0 0 "[ . 1 . 2]" 1
253 1 20 MET HA 1 20 MET ME 3.500 . 4.500 3.628 3.180 4.294 . 0 0 "[ . 1 . 2]" 1
254 1 20 MET HA 1 20 MET QG 2.500 . 3.500 2.202 2.021 2.532 . 0 0 "[ . 1 . 2]" 1
255 1 20 MET HA 1 20 MET HG3 2.500 . 3.500 3.119 2.475 3.505 0.005 13 0 "[ . 1 . 2]" 1
256 1 20 MET HA 1 20 MET HG2 2.500 . 3.500 2.268 2.043 2.679 . 0 0 "[ . 1 . 2]" 1
257 1 20 MET H 1 20 MET HB3 3.500 . 4.500 3.549 3.087 3.834 . 0 0 "[ . 1 . 2]" 1
258 1 20 MET H 1 20 MET HB2 3.500 . 4.500 2.471 2.276 2.789 . 0 0 "[ . 1 . 2]" 1
259 1 20 MET ME 1 20 MET HG3 2.500 . 3.500 3.186 2.366 3.400 . 0 0 "[ . 1 . 2]" 1
260 1 20 MET ME 1 20 MET HG2 2.500 . 3.500 2.407 2.064 3.370 . 0 0 "[ . 1 . 2]" 1
261 1 20 MET H 1 20 MET QG 3.500 . 4.500 3.328 2.477 4.064 . 0 0 "[ . 1 . 2]" 1
262 1 20 MET HA 1 21 LYS H 3.500 . 4.500 2.883 2.780 2.927 . 0 0 "[ . 1 . 2]" 1
263 1 20 MET QB 1 21 LYS H 3.500 . 4.500 3.803 3.776 3.862 . 0 0 "[ . 1 . 2]" 1
264 1 20 MET QG 1 21 LYS H 5.000 2.500 6.000 4.574 4.463 4.653 . 0 0 "[ . 1 . 2]" 1
265 1 20 MET H 1 21 LYS H 3.500 . 4.500 2.676 2.127 3.021 . 0 0 "[ . 1 . 2]" 1
266 1 20 MET HA 1 22 GLU H 5.000 2.500 6.000 3.659 3.318 4.192 . 0 0 "[ . 1 . 2]" 1
267 1 20 MET HA 1 23 ALA MB 3.500 . 4.500 2.983 2.426 3.586 . 0 0 "[ . 1 . 2]" 1
268 1 20 MET HA 1 23 ALA H 5.000 2.500 6.000 4.292 3.497 4.775 . 0 0 "[ . 1 . 2]" 1
269 1 20 MET ME 1 23 ALA MB 2.000 . 2.800 2.284 1.739 2.800 0.000 11 0 "[ . 1 . 2]" 1
270 1 20 MET QG 1 23 ALA MB 2.500 . 3.500 2.986 2.091 3.500 0.000 9 0 "[ . 1 . 2]" 1
271 1 20 MET ME 1 27 HIS HA 5.000 2.500 6.000 4.172 3.617 4.796 . 0 0 "[ . 1 . 2]" 1
272 1 20 MET ME 1 27 HIS HB3 3.500 . 4.500 2.676 2.060 3.670 . 0 0 "[ . 1 . 2]" 1
273 1 20 MET ME 1 27 HIS HB2 3.500 . 4.500 3.664 2.900 4.501 0.001 10 0 "[ . 1 . 2]" 1
274 1 20 MET ME 1 28 ARG HA 2.500 . 3.500 2.767 1.968 3.501 0.001 17 0 "[ . 1 . 2]" 1
275 1 20 MET ME 1 31 LYS HA 5.000 2.500 6.000 3.358 2.510 4.661 . 0 0 "[ . 1 . 2]" 1
276 1 20 MET ME 1 32 VAL HA 5.000 2.500 6.000 4.253 3.445 5.084 . 0 0 "[ . 1 . 2]" 1
277 1 20 MET ME 1 32 VAL MG1 5.000 2.500 6.000 4.426 3.851 5.176 . 0 0 "[ . 1 . 2]" 1
278 1 20 MET ME 1 32 VAL H 3.500 . 4.500 3.306 2.541 4.258 . 0 0 "[ . 1 . 2]" 1
279 1 20 MET ME 1 33 CYS HA 3.500 . 4.500 3.304 2.051 4.461 . 0 0 "[ . 1 . 2]" 1
280 1 20 MET QG 1 33 CYS HA 5.000 2.500 6.000 3.647 2.898 4.395 . 0 0 "[ . 1 . 2]" 1
281 1 21 LYS HA 1 21 LYS HB3 2.500 . 3.500 2.998 2.952 3.024 . 0 0 "[ . 1 . 2]" 1
282 1 21 LYS HA 1 21 LYS HB2 2.500 . 3.500 2.590 2.453 2.715 . 0 0 "[ . 1 . 2]" 1
283 1 21 LYS HA 1 21 LYS QG 2.500 . 3.500 2.361 2.108 2.695 . 0 0 "[ . 1 . 2]" 1
284 1 21 LYS H 1 21 LYS HA 2.500 . 3.500 2.848 2.796 2.910 . 0 0 "[ . 1 . 2]" 1
285 1 21 LYS HB3 1 21 LYS QG 2.500 . 3.500 2.346 2.137 2.519 . 0 0 "[ . 1 . 2]" 1
286 1 21 LYS H 1 21 LYS HB3 2.500 . 3.500 2.753 2.528 3.009 . 0 0 "[ . 1 . 2]" 1
287 1 21 LYS HB2 1 21 LYS QG 2.000 . 2.800 2.301 2.133 2.490 . 0 0 "[ . 1 . 2]" 1
288 1 21 LYS H 1 21 LYS HB2 2.500 . 3.500 2.368 2.134 2.581 . 0 0 "[ . 1 . 2]" 1
289 1 21 LYS H 1 21 LYS QG 3.500 . 4.500 3.957 3.759 4.088 . 0 0 "[ . 1 . 2]" 1
290 1 21 LYS HA 1 22 GLU H 3.500 . 4.500 3.520 3.490 3.568 . 0 0 "[ . 1 . 2]" 1
291 1 21 LYS HB3 1 22 GLU H 3.500 . 4.500 2.701 2.265 2.893 . 0 0 "[ . 1 . 2]" 1
292 1 21 LYS QG 1 22 GLU QG 5.000 2.500 6.000 3.360 2.499 5.126 0.001 8 0 "[ . 1 . 2]" 1
293 1 21 LYS H 1 22 GLU H 2.500 . 3.500 2.544 2.287 2.722 . 0 0 "[ . 1 . 2]" 1
294 1 21 LYS HA 1 23 ALA H 5.000 2.500 6.000 4.568 3.941 5.563 . 0 0 "[ . 1 . 2]" 1
295 1 22 GLU HA 1 22 GLU QB 2.500 . 3.500 2.380 2.299 2.489 . 0 0 "[ . 1 . 2]" 1
296 1 22 GLU HA 1 22 GLU HB3 2.500 . 3.500 2.498 2.384 2.669 . 0 0 "[ . 1 . 2]" 1
297 1 22 GLU HA 1 22 GLU HG3 3.500 . 4.500 3.382 2.151 3.787 . 0 0 "[ . 1 . 2]" 1
298 1 22 GLU HA 1 22 GLU HG2 3.500 . 4.500 2.593 2.239 3.447 . 0 0 "[ . 1 . 2]" 1
299 1 22 GLU H 1 22 GLU HA 2.500 . 3.500 2.936 2.895 2.949 . 0 0 "[ . 1 . 2]" 1
300 1 22 GLU H 1 22 GLU HB3 3.500 . 4.500 3.747 3.511 3.963 . 0 0 "[ . 1 . 2]" 1
301 1 22 GLU HB2 1 22 GLU QG 2.500 . 3.500 2.232 2.129 2.473 . 0 0 "[ . 1 . 2]" 1
302 1 22 GLU H 1 22 GLU HB2 2.500 . 3.500 2.636 2.264 2.985 . 0 0 "[ . 1 . 2]" 1
303 1 22 GLU H 1 22 GLU HG3 3.500 . 4.500 3.436 2.630 4.219 . 0 0 "[ . 1 . 2]" 1
304 1 22 GLU H 1 22 GLU HG2 3.500 . 4.500 3.583 2.911 4.488 . 0 0 "[ . 1 . 2]" 1
305 1 22 GLU HA 1 23 ALA H 2.500 . 3.500 2.536 2.298 2.906 . 0 0 "[ . 1 . 2]" 1
306 1 22 GLU HB3 1 23 ALA H 5.000 2.500 6.000 4.290 4.109 4.505 . 0 0 "[ . 1 . 2]" 1
307 1 22 GLU HB2 1 23 ALA H 3.500 . 4.500 4.394 4.189 4.502 0.002 17 0 "[ . 1 . 2]" 1
308 1 22 GLU H 1 23 ALA HA 5.000 2.500 6.000 4.569 4.299 4.869 . 0 0 "[ . 1 . 2]" 1
309 1 22 GLU H 1 23 ALA H 2.500 . 3.500 3.248 2.613 3.501 0.001 2 0 "[ . 1 . 2]" 1
310 1 23 ALA HA 1 23 ALA MB 2.000 . 2.800 2.114 2.099 2.129 . 0 0 "[ . 1 . 2]" 1
311 1 23 ALA H 1 23 ALA HA 2.500 . 3.500 2.913 2.879 2.948 . 0 0 "[ . 1 . 2]" 1
312 1 23 ALA H 1 23 ALA MB 2.000 . 2.800 2.259 2.112 2.465 . 0 0 "[ . 1 . 2]" 1
313 1 23 ALA HA 1 24 LYS H 2.500 . 3.500 2.504 2.209 3.534 0.034 11 0 "[ . 1 . 2]" 1
314 1 23 ALA MB 1 24 LYS H 2.500 . 3.500 2.345 1.953 2.853 . 0 0 "[ . 1 . 2]" 1
315 1 23 ALA HA 1 27 HIS QB 5.000 2.500 6.000 4.013 3.226 4.845 . 0 0 "[ . 1 . 2]" 1
316 1 23 ALA MB 1 27 HIS QB 2.500 . 3.500 2.427 2.183 2.786 . 0 0 "[ . 1 . 2]" 1
317 1 23 ALA MB 1 27 HIS HB3 3.500 . 4.500 2.957 2.500 3.811 . 0 0 "[ . 1 . 2]" 1
318 1 23 ALA MB 1 27 HIS HB2 3.500 . 4.500 2.596 2.386 3.032 . 0 0 "[ . 1 . 2]" 1
319 1 23 ALA MB 1 27 HIS HD1 5.000 2.500 6.000 3.714 2.845 4.245 . 0 0 "[ . 1 . 2]" 1
320 1 23 ALA MB 1 27 HIS H 5.000 2.500 6.000 4.135 3.910 4.438 . 0 0 "[ . 1 . 2]" 1
321 1 23 ALA MB 1 28 ARG QG 3.500 . 4.500 2.528 2.031 4.019 . 0 0 "[ . 1 . 2]" 1
322 1 24 LYS HA 1 24 LYS HB3 2.500 . 3.500 2.937 2.759 3.008 . 0 0 "[ . 1 . 2]" 1
323 1 24 LYS HA 1 24 LYS HB2 2.500 . 3.500 2.723 2.579 2.928 . 0 0 "[ . 1 . 2]" 1
324 1 24 LYS HA 1 24 LYS QG 2.500 . 3.500 2.218 2.023 2.656 . 0 0 "[ . 1 . 2]" 1
325 1 24 LYS H 1 24 LYS HB3 2.500 . 3.500 3.021 2.723 3.386 . 0 0 "[ . 1 . 2]" 1
326 1 24 LYS H 1 24 LYS HB2 2.500 . 3.500 2.376 2.073 3.247 . 0 0 "[ . 1 . 2]" 1
327 1 24 LYS H 1 24 LYS QG 3.500 . 4.500 3.908 3.242 4.272 . 0 0 "[ . 1 . 2]" 1
328 1 24 LYS HA 1 25 LEU HA 5.000 2.500 6.000 4.303 4.294 4.317 . 0 0 "[ . 1 . 2]" 1
329 1 24 LYS HA 1 25 LEU H 2.000 . 2.800 2.479 2.319 2.652 . 0 0 "[ . 1 . 2]" 1
330 1 24 LYS QB 1 25 LEU H 3.500 . 4.500 2.813 2.279 3.332 . 0 0 "[ . 1 . 2]" 1
331 1 24 LYS HA 1 26 TYR H 3.500 . 4.500 4.153 4.034 4.357 . 0 0 "[ . 1 . 2]" 1
332 1 24 LYS QB 1 26 TYR HB2 5.000 2.500 6.000 3.963 3.555 4.289 . 0 0 "[ . 1 . 2]" 1
333 1 24 LYS QB 1 26 TYR H 3.500 . 4.500 2.312 2.098 2.679 . 0 0 "[ . 1 . 2]" 1
334 1 24 LYS QB 1 27 HIS HD1 5.000 2.500 6.000 3.191 2.528 4.237 . 0 0 "[ . 1 . 2]" 1
335 1 24 LYS QB 1 27 HIS HE1 5.000 2.500 6.000 4.764 4.266 5.737 . 0 0 "[ . 1 . 2]" 1
336 1 24 LYS QB 1 27 HIS H 5.000 2.500 6.000 2.729 2.497 3.255 0.003 11 0 "[ . 1 . 2]" 1
337 1 25 LEU HA 1 25 LEU QB 2.000 . 2.800 2.443 2.163 2.536 . 0 0 "[ . 1 . 2]" 1
338 1 25 LEU HA 1 25 LEU HB3 2.500 . 3.500 2.762 2.342 3.020 . 0 0 "[ . 1 . 2]" 1
339 1 25 LEU HA 1 25 LEU HB2 2.500 . 3.500 2.804 2.473 3.020 . 0 0 "[ . 1 . 2]" 1
340 1 25 LEU HA 1 25 LEU QD 2.500 . 3.500 2.528 1.858 3.423 . 0 0 "[ . 1 . 2]" 1
341 1 25 LEU HA 1 25 LEU HG 3.500 . 4.500 2.656 2.179 3.671 . 0 0 "[ . 1 . 2]" 1
342 1 25 LEU QB 1 25 LEU QD 2.000 . 2.800 1.860 1.784 2.045 . 0 0 "[ . 1 . 2]" 1
343 1 25 LEU QB 1 25 LEU MD1 2.500 . 3.500 2.097 1.943 2.354 . 0 0 "[ . 1 . 2]" 1
344 1 25 LEU QB 1 25 LEU MD2 2.500 . 3.500 2.091 1.938 2.288 . 0 0 "[ . 1 . 2]" 1
345 1 25 LEU H 1 25 LEU QB 2.500 . 3.500 2.223 2.029 2.656 . 0 0 "[ . 1 . 2]" 1
346 1 25 LEU H 1 25 LEU QD 3.500 . 4.500 3.133 1.999 3.704 0.001 14 0 "[ . 1 . 2]" 1
347 1 25 LEU HA 1 26 TYR H 3.500 . 4.500 3.446 3.358 3.490 . 0 0 "[ . 1 . 2]" 1
348 1 25 LEU QB 1 26 TYR H 2.500 . 3.500 3.026 2.823 3.466 . 0 0 "[ . 1 . 2]" 1
349 1 25 LEU QD 1 26 TYR H 3.500 . 4.500 4.088 2.909 4.332 . 0 0 "[ . 1 . 2]" 1
350 1 25 LEU HA 1 28 ARG QB 5.000 2.500 6.000 2.634 2.498 2.964 0.002 17 0 "[ . 1 . 2]" 1
351 1 25 LEU HA 1 28 ARG H 3.500 . 4.500 3.752 3.239 4.500 . 0 0 "[ . 1 . 2]" 1
352 1 25 LEU QD 1 29 ARG QD 5.000 2.500 6.000 4.946 3.784 5.871 . 0 0 "[ . 1 . 2]" 1
353 1 25 LEU QD 1 29 ARG H 5.000 2.500 6.000 4.647 3.423 5.626 . 0 0 "[ . 1 . 2]" 1
354 1 26 TYR HA 1 26 TYR HB2 2.500 . 3.500 2.467 2.444 2.534 . 0 0 "[ . 1 . 2]" 1
355 1 26 TYR HA 1 26 TYR QD 2.500 . 3.500 2.803 2.432 3.174 . 0 0 "[ . 1 . 2]" 1
356 1 26 TYR HA 1 26 TYR QE 5.000 2.500 6.000 4.629 4.453 4.758 . 0 0 "[ . 1 . 2]" 1
357 1 26 TYR HB3 1 26 TYR QD 2.500 . 3.500 2.367 2.282 2.538 . 0 0 "[ . 1 . 2]" 1
358 1 26 TYR H 1 26 TYR HB3 2.500 . 3.500 2.499 2.451 2.632 . 0 0 "[ . 1 . 2]" 1
359 1 26 TYR HB2 1 26 TYR QD 2.500 . 3.500 2.453 2.301 2.596 . 0 0 "[ . 1 . 2]" 1
360 1 26 TYR H 1 26 TYR HB2 2.500 . 3.500 2.642 2.509 2.690 . 0 0 "[ . 1 . 2]" 1
361 1 26 TYR H 1 26 TYR QD 3.500 . 4.500 4.210 4.197 4.222 . 0 0 "[ . 1 . 2]" 1
362 1 26 TYR HA 1 27 HIS H 5.000 2.500 6.000 3.505 3.452 3.568 . 0 0 "[ . 1 . 2]" 1
363 1 26 TYR HB3 1 27 HIS H 3.500 . 4.500 2.763 2.290 3.049 . 0 0 "[ . 1 . 2]" 1
364 1 26 TYR HB2 1 27 HIS H 5.000 2.500 6.000 3.958 3.700 4.053 . 0 0 "[ . 1 . 2]" 1
365 1 26 TYR QD 1 27 HIS HA 3.500 . 4.500 3.600 3.091 4.384 . 0 0 "[ . 1 . 2]" 1
366 1 26 TYR QD 1 27 HIS HD2 3.500 . 4.500 3.325 2.692 3.869 . 0 0 "[ . 1 . 2]" 1
367 1 26 TYR QD 1 27 HIS HE1 5.000 2.500 6.000 4.583 4.050 5.101 . 0 0 "[ . 1 . 2]" 1
368 1 26 TYR QD 1 27 HIS H 3.500 . 4.500 3.713 3.093 4.375 . 0 0 "[ . 1 . 2]" 1
369 1 26 TYR QE 1 27 HIS HD2 3.500 . 4.500 4.013 3.397 4.500 0.000 13 0 "[ . 1 . 2]" 1
370 1 26 TYR QE 1 27 HIS HE1 5.000 2.500 6.000 5.728 5.227 6.003 0.003 5 0 "[ . 1 . 2]" 1
371 1 26 TYR H 1 27 HIS H 3.500 . 4.500 2.431 2.382 2.589 . 0 0 "[ . 1 . 2]" 1
372 1 26 TYR HA 1 29 ARG H 5.000 2.500 6.000 4.087 3.396 5.242 . 0 0 "[ . 1 . 2]" 1
373 1 26 TYR HA 1 30 HIS HD2 5.000 2.500 6.000 4.221 3.128 5.277 . 0 0 "[ . 1 . 2]" 1
374 1 26 TYR QD 1 30 HIS HD2 3.500 . 4.500 3.452 2.892 4.339 . 0 0 "[ . 1 . 2]" 1
375 1 26 TYR QD 1 30 HIS HE1 5.000 2.500 6.000 5.433 4.682 5.960 . 0 0 "[ . 1 . 2]" 1
376 1 26 TYR QE 1 30 HIS HD2 5.000 2.500 6.000 3.176 2.610 5.061 . 0 0 "[ . 1 . 2]" 1
377 1 26 TYR QE 1 30 HIS HE1 5.000 2.500 6.000 4.674 4.045 5.575 . 0 0 "[ . 1 . 2]" 1
378 1 26 TYR QE 1 32 VAL MG1 5.000 2.500 6.000 4.303 3.333 5.095 . 0 0 "[ . 1 . 2]" 1
379 1 26 TYR QD 1 37 ALA MB 5.000 2.500 6.000 4.562 3.695 5.166 . 0 0 "[ . 1 . 2]" 1
380 1 26 TYR QE 1 37 ALA MB 5.000 2.500 6.000 3.710 2.667 4.313 . 0 0 "[ . 1 . 2]" 1
381 1 26 TYR QE 1 51 PHE QE 3.500 . 4.500 3.979 3.059 4.498 . 0 0 "[ . 1 . 2]" 1
382 1 27 HIS HA 1 27 HIS QB 3.500 . 4.500 2.446 2.399 2.497 . 0 0 "[ . 1 . 2]" 1
383 1 27 HIS HA 1 27 HIS HD2 3.500 . 4.500 2.389 2.121 2.649 . 0 0 "[ . 1 . 2]" 1
384 1 27 HIS QB 1 27 HIS HD2 5.000 2.500 6.000 3.115 2.986 3.262 . 0 0 "[ . 1 . 2]" 1
385 1 27 HIS H 1 27 HIS QB 3.500 . 4.500 2.288 2.150 2.448 . 0 0 "[ . 1 . 2]" 1
386 1 27 HIS H 1 27 HIS HB3 3.500 . 4.500 3.576 3.483 3.685 . 0 0 "[ . 1 . 2]" 1
387 1 27 HIS H 1 27 HIS HB2 3.500 . 4.500 2.315 2.171 2.484 . 0 0 "[ . 1 . 2]" 1
388 1 27 HIS HA 1 28 ARG HA 5.000 2.500 6.000 4.610 4.423 4.708 . 0 0 "[ . 1 . 2]" 1
389 1 27 HIS HA 1 28 ARG H 5.000 2.500 6.000 3.245 2.720 3.487 . 0 0 "[ . 1 . 2]" 1
390 1 27 HIS QB 1 28 ARG H 3.500 . 4.500 3.257 2.830 3.889 . 0 0 "[ . 1 . 2]" 1
391 1 27 HIS H 1 28 ARG H 3.500 . 4.500 2.579 2.151 3.070 . 0 0 "[ . 1 . 2]" 1
392 1 27 HIS HA 1 30 HIS QB 5.000 2.500 6.000 3.198 2.719 3.703 . 0 0 "[ . 1 . 2]" 1
393 1 27 HIS HA 1 30 HIS H 5.000 2.500 6.000 3.833 3.544 4.188 . 0 0 "[ . 1 . 2]" 1
394 1 27 HIS HA 1 32 VAL MG1 3.500 . 4.500 2.950 2.257 3.599 . 0 0 "[ . 1 . 2]" 1
395 1 27 HIS HA 1 32 VAL H 5.000 2.500 6.000 3.459 3.084 4.078 . 0 0 "[ . 1 . 2]" 1
396 1 27 HIS QB 1 32 VAL MG1 5.000 2.500 6.000 3.914 3.360 4.326 . 0 0 "[ . 1 . 2]" 1
397 1 27 HIS HD2 1 32 VAL MG1 3.500 . 4.500 2.479 1.999 3.061 0.001 11 0 "[ . 1 . 2]" 1
398 1 27 HIS HD2 1 32 VAL MG2 5.000 2.500 6.000 4.006 3.350 4.668 . 0 0 "[ . 1 . 2]" 1
399 1 27 HIS QB 1 33 CYS HA 3.500 . 4.500 3.078 2.316 4.021 . 0 0 "[ . 1 . 2]" 1
400 1 27 HIS HD2 1 33 CYS HA 3.500 . 4.500 4.129 3.577 4.501 0.001 11 0 "[ . 1 . 2]" 1
401 1 27 HIS HD1 1 34 GLU HA 3.500 . 4.500 3.854 3.220 4.425 . 0 0 "[ . 1 . 2]" 1
402 1 27 HIS HD2 1 34 GLU QG 5.000 2.500 6.000 5.224 4.613 5.755 . 0 0 "[ . 1 . 2]" 1
403 1 27 HIS HE1 1 34 GLU HA 3.500 . 4.500 3.275 2.902 3.762 . 0 0 "[ . 1 . 2]" 1
404 1 27 HIS HE1 1 34 GLU HB3 3.500 . 4.500 4.095 3.707 4.500 0.000 12 0 "[ . 1 . 2]" 1
405 1 27 HIS HE1 1 34 GLU HB2 3.500 . 4.500 2.557 2.000 3.125 0.000 6 0 "[ . 1 . 2]" 1
406 1 27 HIS HE1 1 34 GLU QG 3.500 . 4.500 2.427 2.000 3.114 . 0 0 "[ . 1 . 2]" 1
407 1 27 HIS HE1 1 34 GLU H 5.000 2.500 6.000 4.142 3.246 4.970 . 0 0 "[ . 1 . 2]" 1
408 1 27 HIS HD2 1 37 ALA MB 3.500 . 4.500 2.904 2.301 3.427 . 0 0 "[ . 1 . 2]" 1
409 1 27 HIS HE1 1 37 ALA MB 3.500 . 4.500 4.279 3.899 4.501 0.001 13 0 "[ . 1 . 2]" 1
410 1 28 ARG HA 1 28 ARG QB 2.500 . 3.500 2.490 2.383 2.538 . 0 0 "[ . 1 . 2]" 1
411 1 28 ARG HA 1 28 ARG HG3 2.500 . 3.500 2.956 2.468 3.500 . 8 0 "[ . 1 . 2]" 1
412 1 28 ARG HA 1 28 ARG HG2 2.500 . 3.500 2.324 2.027 2.657 . 0 0 "[ . 1 . 2]" 1
413 1 28 ARG H 1 28 ARG QB 2.500 . 3.500 2.255 2.086 2.461 . 0 0 "[ . 1 . 2]" 1
414 1 28 ARG H 1 28 ARG QG 2.500 . 3.500 3.193 2.502 3.502 0.002 4 0 "[ . 1 . 2]" 1
415 1 28 ARG HA 1 29 ARG H 3.500 . 4.500 3.518 3.208 3.570 . 0 0 "[ . 1 . 2]" 1
416 1 28 ARG QB 1 29 ARG HA 5.000 2.500 6.000 3.812 3.681 4.178 . 0 0 "[ . 1 . 2]" 1
417 1 28 ARG QB 1 29 ARG H 2.500 . 3.500 2.593 2.070 3.508 0.008 9 0 "[ . 1 . 2]" 1
418 1 28 ARG QG 1 29 ARG H 5.000 2.500 6.000 4.297 4.013 4.548 . 0 0 "[ . 1 . 2]" 1
419 1 28 ARG H 1 29 ARG H 3.500 . 4.500 2.455 2.120 2.712 . 0 0 "[ . 1 . 2]" 1
420 1 28 ARG HA 1 31 LYS HA 3.500 . 4.500 3.597 3.236 4.150 . 0 0 "[ . 1 . 2]" 1
421 1 28 ARG HA 1 31 LYS H 5.000 2.500 6.000 3.436 3.277 3.730 . 0 0 "[ . 1 . 2]" 1
422 1 29 ARG HA 1 29 ARG HB3 2.500 . 3.500 2.864 2.480 3.026 . 0 0 "[ . 1 . 2]" 1
423 1 29 ARG HA 1 29 ARG HB2 2.500 . 3.500 2.454 2.378 2.531 . 0 0 "[ . 1 . 2]" 1
424 1 29 ARG HA 1 29 ARG QD 3.500 . 4.500 4.117 3.442 4.498 . 0 0 "[ . 1 . 2]" 1
425 1 29 ARG HA 1 29 ARG QG 3.500 . 4.500 2.715 2.288 3.357 . 0 0 "[ . 1 . 2]" 1
426 1 29 ARG HA 1 29 ARG HG3 3.500 . 4.500 2.996 2.334 3.952 . 0 0 "[ . 1 . 2]" 1
427 1 29 ARG HA 1 29 ARG HG2 3.500 . 4.500 3.247 2.323 4.061 . 0 0 "[ . 1 . 2]" 1
428 1 29 ARG H 1 29 ARG HA 2.500 . 3.500 2.821 2.763 2.939 . 0 0 "[ . 1 . 2]" 1
429 1 29 ARG QB 1 29 ARG QD 2.500 . 3.500 2.104 1.930 2.355 . 0 0 "[ . 1 . 2]" 1
430 1 29 ARG QB 1 29 ARG QG 2.000 . 2.800 2.067 2.020 2.088 . 0 0 "[ . 1 . 2]" 1
431 1 29 ARG H 1 29 ARG QB 2.500 . 3.500 2.302 2.229 2.418 . 0 0 "[ . 1 . 2]" 1
432 1 29 ARG QD 1 29 ARG HG3 2.500 . 3.500 2.432 2.141 2.532 . 0 0 "[ . 1 . 2]" 1
433 1 29 ARG QD 1 29 ARG HG2 2.500 . 3.500 2.217 2.138 2.521 . 0 0 "[ . 1 . 2]" 1
434 1 29 ARG H 1 29 ARG QD 5.000 2.500 6.000 4.301 2.922 4.591 . 0 0 "[ . 1 . 2]" 1
435 1 29 ARG H 1 29 ARG QG 5.000 2.500 6.000 3.533 2.478 4.059 0.022 11 0 "[ . 1 . 2]" 1
436 1 29 ARG HA 1 30 HIS H 3.500 . 4.500 3.514 3.468 3.561 . 0 0 "[ . 1 . 2]" 1
437 1 29 ARG HB3 1 30 HIS H 3.500 . 4.500 3.023 2.364 4.046 . 0 0 "[ . 1 . 2]" 1
438 1 29 ARG QD 1 30 HIS HD2 5.000 2.500 6.000 5.212 3.840 6.003 0.003 15 0 "[ . 1 . 2]" 1
439 1 29 ARG QD 1 30 HIS HE1 5.000 2.500 6.000 3.409 2.611 5.117 . 0 0 "[ . 1 . 2]" 1
440 1 29 ARG HB2 1 30 HIS H 3.500 . 4.500 3.906 3.668 4.043 . 0 0 "[ . 1 . 2]" 1
441 1 29 ARG QG 1 30 HIS HD2 5.000 2.500 6.000 5.291 2.497 6.004 0.004 1 0 "[ . 1 . 2]" 1
442 1 29 ARG QG 1 30 HIS H 3.500 . 4.500 3.275 2.001 4.169 . 0 0 "[ . 1 . 2]" 1
443 1 29 ARG HG3 1 30 HIS HE1 5.000 2.500 6.000 5.252 3.279 6.003 0.003 1 0 "[ . 1 . 2]" 1
444 1 29 ARG HG2 1 30 HIS HE1 5.000 2.500 6.000 4.616 3.782 6.000 0.000 8 0 "[ . 1 . 2]" 1
445 1 29 ARG H 1 30 HIS H 3.500 . 4.500 2.626 2.043 2.803 . 0 0 "[ . 1 . 2]" 1
446 1 29 ARG HA 1 31 LYS H 5.000 2.500 6.000 4.013 3.806 4.324 . 0 0 "[ . 1 . 2]" 1
447 1 29 ARG H 1 31 LYS H 5.000 2.500 6.000 3.833 3.448 4.153 . 0 0 "[ . 1 . 2]" 1
448 1 30 HIS HA 1 30 HIS QB 2.000 . 2.800 2.383 2.308 2.442 . 0 0 "[ . 1 . 2]" 1
449 1 30 HIS QB 1 30 HIS HD2 3.500 . 4.500 2.655 2.625 2.751 . 0 0 "[ . 1 . 2]" 1
450 1 30 HIS H 1 30 HIS QB 3.500 . 4.500 2.399 2.263 2.568 . 0 0 "[ . 1 . 2]" 1
451 1 30 HIS H 1 30 HIS HD2 5.000 2.500 6.000 3.901 2.545 4.651 . 0 0 "[ . 1 . 2]" 1
452 1 30 HIS HA 1 31 LYS H 3.500 . 4.500 3.395 3.179 3.472 . 0 0 "[ . 1 . 2]" 1
453 1 30 HIS H 1 31 LYS HA 5.000 2.500 6.000 4.663 4.513 4.831 . 0 0 "[ . 1 . 2]" 1
454 1 30 HIS H 1 31 LYS H 3.500 . 4.500 2.421 2.263 2.587 . 0 0 "[ . 1 . 2]" 1
455 1 30 HIS HB3 1 32 VAL MG1 3.500 . 4.500 2.399 2.034 2.842 . 0 0 "[ . 1 . 2]" 1
456 1 30 HIS HB2 1 32 VAL MG1 3.500 . 4.500 2.260 2.002 2.564 . 0 0 "[ . 1 . 2]" 1
457 1 30 HIS QB 1 51 PHE QE 5.000 2.500 6.000 3.413 2.625 4.380 . 0 0 "[ . 1 . 2]" 1
458 1 30 HIS QB 1 51 PHE HZ 3.500 . 4.500 3.137 2.032 4.047 . 0 0 "[ . 1 . 2]" 1
459 1 30 HIS HE1 1 56 SER HB3 5.000 2.500 6.000 4.523 2.498 5.422 0.002 19 0 "[ . 1 . 2]" 1
460 1 30 HIS HE1 1 56 SER HB2 5.000 2.500 6.000 3.918 3.056 5.001 . 0 0 "[ . 1 . 2]" 1
461 1 31 LYS HA 1 31 LYS QB 2.500 . 3.500 2.435 2.299 2.535 . 0 0 "[ . 1 . 2]" 1
462 1 31 LYS HA 1 31 LYS QG 2.500 . 3.500 2.317 2.060 2.557 . 0 0 "[ . 1 . 2]" 1
463 1 31 LYS H 1 31 LYS HA 2.000 . 2.800 2.272 2.270 2.273 . 0 0 "[ . 1 . 2]" 1
464 1 31 LYS H 1 31 LYS QB 3.500 . 4.500 3.241 2.981 3.422 . 0 0 "[ . 1 . 2]" 1
465 1 31 LYS HB3 1 31 LYS QG 2.500 . 3.500 2.286 2.132 2.523 . 0 0 "[ . 1 . 2]" 1
466 1 31 LYS HB2 1 31 LYS QG 2.500 . 3.500 2.384 2.132 2.528 . 0 0 "[ . 1 . 2]" 1
467 1 31 LYS QE 1 31 LYS QG 3.500 . 4.500 2.192 2.056 2.415 . 0 0 "[ . 1 . 2]" 1
468 1 31 LYS HD3 1 31 LYS QG 2.500 . 3.500 2.344 2.145 2.533 . 0 0 "[ . 1 . 2]" 1
469 1 31 LYS HD2 1 31 LYS QG 2.500 . 3.500 2.332 2.144 2.505 . 0 0 "[ . 1 . 2]" 1
470 1 31 LYS H 1 31 LYS QG 3.500 . 4.500 3.003 2.556 3.927 . 0 0 "[ . 1 . 2]" 1
471 1 31 LYS HA 1 32 VAL MG1 5.000 2.500 6.000 4.539 4.367 4.706 . 0 0 "[ . 1 . 2]" 1
472 1 31 LYS HA 1 32 VAL H 2.500 . 3.500 2.756 2.523 2.917 . 0 0 "[ . 1 . 2]" 1
473 1 31 LYS QB 1 32 VAL H 5.000 2.500 6.000 3.859 3.779 3.923 . 0 0 "[ . 1 . 2]" 1
474 1 31 LYS H 1 32 VAL H 3.500 . 4.500 2.706 2.588 2.880 . 0 0 "[ . 1 . 2]" 1
475 1 32 VAL HA 1 32 VAL HB 2.500 . 3.500 2.456 2.450 2.465 . 0 0 "[ . 1 . 2]" 1
476 1 32 VAL HA 1 32 VAL MG1 3.500 . 4.500 3.197 3.194 3.206 . 0 0 "[ . 1 . 2]" 1
477 1 32 VAL HA 1 32 VAL MG2 2.500 . 3.500 2.346 2.248 2.403 . 0 0 "[ . 1 . 2]" 1
478 1 32 VAL H 1 32 VAL HB 3.500 . 4.500 3.295 3.189 3.407 . 0 0 "[ . 1 . 2]" 1
479 1 32 VAL MG1 1 32 VAL MG2 2.000 . 2.800 2.042 1.976 2.088 . 0 0 "[ . 1 . 2]" 1
480 1 32 VAL H 1 32 VAL MG1 2.500 . 3.500 2.216 2.040 2.516 . 0 0 "[ . 1 . 2]" 1
481 1 32 VAL H 1 32 VAL MG2 5.000 2.500 6.000 3.952 3.916 3.988 . 0 0 "[ . 1 . 2]" 1
482 1 32 VAL HA 1 33 CYS H 2.500 . 3.500 2.236 2.143 2.351 . 0 0 "[ . 1 . 2]" 1
483 1 32 VAL HB 1 33 CYS H 3.500 . 4.500 4.036 3.840 4.317 . 0 0 "[ . 1 . 2]" 1
484 1 32 VAL MG1 1 33 CYS H 5.000 2.500 6.000 3.776 3.529 4.069 . 0 0 "[ . 1 . 2]" 1
485 1 32 VAL MG2 1 33 CYS QB 3.500 . 4.500 3.945 3.529 4.467 . 0 0 "[ . 1 . 2]" 1
486 1 32 VAL MG2 1 33 CYS H 2.500 . 3.500 2.182 1.883 2.816 . 0 0 "[ . 1 . 2]" 1
487 1 32 VAL H 1 33 CYS H 5.000 2.500 6.000 4.337 4.170 4.438 . 0 0 "[ . 1 . 2]" 1
488 1 32 VAL MG2 1 36 HIS HB3 3.500 . 4.500 2.648 2.229 3.050 . 0 0 "[ . 1 . 2]" 1
489 1 32 VAL MG2 1 36 HIS HB2 3.500 . 4.500 2.434 2.124 2.754 . 0 0 "[ . 1 . 2]" 1
490 1 32 VAL MG2 1 36 HIS H 3.500 . 4.500 3.590 3.402 3.967 . 0 0 "[ . 1 . 2]" 1
491 1 32 VAL MG1 1 37 ALA HA 5.000 2.500 6.000 3.510 3.190 4.025 . 0 0 "[ . 1 . 2]" 1
492 1 32 VAL MG1 1 37 ALA MB 2.500 . 3.500 2.187 1.813 2.711 . 0 0 "[ . 1 . 2]" 1
493 1 32 VAL MG1 1 37 ALA H 5.000 2.500 6.000 4.129 3.881 4.371 . 0 0 "[ . 1 . 2]" 1
494 1 32 VAL MG2 1 37 ALA HA 3.500 . 4.500 2.637 2.208 3.066 . 0 0 "[ . 1 . 2]" 1
495 1 32 VAL MG2 1 37 ALA MB 2.500 . 3.500 2.313 1.918 2.744 . 0 0 "[ . 1 . 2]" 1
496 1 32 VAL MG2 1 37 ALA H 3.500 . 4.500 2.753 2.500 3.207 . 0 0 "[ . 1 . 2]" 1
497 1 32 VAL HB 1 51 PHE QE 3.500 . 4.500 3.781 3.087 4.501 0.001 18 0 "[ . 1 . 2]" 1
498 1 32 VAL MG1 1 51 PHE QD 5.000 2.500 6.000 3.902 3.376 4.678 . 0 0 "[ . 1 . 2]" 1
499 1 32 VAL MG1 1 51 PHE QE 3.500 . 4.500 2.832 2.219 3.590 . 0 0 "[ . 1 . 2]" 1
500 1 32 VAL MG1 1 51 PHE HZ 3.500 . 4.500 3.100 2.611 3.639 . 0 0 "[ . 1 . 2]" 1
501 1 32 VAL MG2 1 51 PHE QD 3.500 . 4.500 3.454 2.817 4.067 . 0 0 "[ . 1 . 2]" 1
502 1 32 VAL MG2 1 51 PHE QE 3.500 . 4.500 3.661 2.715 4.376 . 0 0 "[ . 1 . 2]" 1
503 1 32 VAL HA 1 58 PHE QE 5.000 2.500 6.000 4.980 4.364 5.549 . 0 0 "[ . 1 . 2]" 1
504 1 32 VAL HB 1 58 PHE QE 3.500 . 4.500 3.419 2.946 3.888 . 0 0 "[ . 1 . 2]" 1
505 1 32 VAL HB 1 58 PHE HZ 5.000 2.500 6.000 4.897 4.177 5.444 . 0 0 "[ . 1 . 2]" 1
506 1 32 VAL MG1 1 58 PHE QE 5.000 2.500 6.000 4.182 3.652 4.723 . 0 0 "[ . 1 . 2]" 1
507 1 32 VAL MG2 1 58 PHE QD 5.000 2.500 6.000 4.667 4.272 5.283 . 0 0 "[ . 1 . 2]" 1
508 1 32 VAL MG2 1 58 PHE QE 2.500 . 3.500 2.755 2.263 3.475 . 0 0 "[ . 1 . 2]" 1
509 1 32 VAL MG2 1 58 PHE HZ 2.500 . 3.500 2.980 2.405 3.321 . 0 0 "[ . 1 . 2]" 1
510 1 33 CYS HA 1 33 CYS HB3 2.500 . 3.500 2.480 2.387 2.530 . 0 0 "[ . 1 . 2]" 1
511 1 33 CYS HA 1 33 CYS HB2 2.500 . 3.500 2.610 2.380 3.024 . 0 0 "[ . 1 . 2]" 1
512 1 33 CYS H 1 33 CYS HB3 3.500 . 4.500 2.994 2.474 3.675 . 0 0 "[ . 1 . 2]" 1
513 1 33 CYS H 1 33 CYS HB2 3.500 . 4.500 3.298 2.569 3.703 . 0 0 "[ . 1 . 2]" 1
514 1 33 CYS HA 1 34 GLU HA 5.000 2.500 6.000 4.302 4.292 4.314 . 0 0 "[ . 1 . 2]" 1
515 1 33 CYS HA 1 34 GLU H 2.500 . 3.500 2.434 2.268 2.553 . 0 0 "[ . 1 . 2]" 1
516 1 33 CYS QB 1 34 GLU H 2.500 . 3.500 2.424 2.229 2.740 . 0 0 "[ . 1 . 2]" 1
517 1 33 CYS HB3 1 34 GLU H 3.500 . 4.500 3.397 2.556 3.946 . 0 0 "[ . 1 . 2]" 1
518 1 33 CYS HB2 1 34 GLU H 3.500 . 4.500 2.801 2.246 3.765 . 0 0 "[ . 1 . 2]" 1
519 1 33 CYS HA 1 35 VAL H 5.000 2.500 6.000 4.296 4.035 4.446 . 0 0 "[ . 1 . 2]" 1
520 1 33 CYS HB3 1 35 VAL H 5.000 2.500 6.000 3.875 2.816 4.451 . 0 0 "[ . 1 . 2]" 1
521 1 33 CYS HB2 1 35 VAL H 5.000 2.500 6.000 3.134 2.972 3.400 . 0 0 "[ . 1 . 2]" 1
522 1 33 CYS QB 1 36 HIS HE1 5.000 2.500 6.000 5.461 4.405 6.002 0.002 4 0 "[ . 1 . 2]" 1
523 1 33 CYS H 1 36 HIS HB2 5.000 2.500 6.000 2.869 2.496 3.300 0.004 14 0 "[ . 1 . 2]" 1
524 1 33 CYS H 1 36 HIS H 5.000 2.500 6.000 3.900 3.749 4.182 . 0 0 "[ . 1 . 2]" 1
525 1 33 CYS H 1 37 ALA H 5.000 2.500 6.000 4.208 3.938 4.617 . 0 0 "[ . 1 . 2]" 1
526 1 34 GLU HA 1 34 GLU HB3 2.500 . 3.500 3.002 2.963 3.025 . 0 0 "[ . 1 . 2]" 1
527 1 34 GLU HA 1 34 GLU HB2 2.500 . 3.500 2.586 2.484 2.692 . 0 0 "[ . 1 . 2]" 1
528 1 34 GLU HA 1 34 GLU QG 2.500 . 3.500 2.267 2.125 2.447 . 0 0 "[ . 1 . 2]" 1
529 1 34 GLU H 1 34 GLU HA 2.500 . 3.500 2.821 2.799 2.840 . 0 0 "[ . 1 . 2]" 1
530 1 34 GLU HB3 1 34 GLU QG 2.500 . 3.500 2.363 2.199 2.524 . 0 0 "[ . 1 . 2]" 1
531 1 34 GLU H 1 34 GLU HB3 2.500 . 3.500 2.766 2.574 2.971 . 0 0 "[ . 1 . 2]" 1
532 1 34 GLU HB2 1 34 GLU QG 2.500 . 3.500 2.307 2.128 2.478 . 0 0 "[ . 1 . 2]" 1
533 1 34 GLU H 1 34 GLU HB2 2.500 . 3.500 2.317 2.163 2.478 . 0 0 "[ . 1 . 2]" 1
534 1 34 GLU H 1 34 GLU QG 3.500 . 4.500 3.909 3.809 3.987 . 0 0 "[ . 1 . 2]" 1
535 1 34 GLU HA 1 35 VAL H 3.500 . 4.500 3.506 3.484 3.531 . 0 0 "[ . 1 . 2]" 1
536 1 34 GLU HB3 1 35 VAL H 3.500 . 4.500 2.794 2.600 2.910 . 0 0 "[ . 1 . 2]" 1
537 1 34 GLU HB2 1 35 VAL H 3.500 . 4.500 3.778 3.578 3.923 . 0 0 "[ . 1 . 2]" 1
538 1 34 GLU QG 1 35 VAL HA 5.000 2.500 6.000 4.438 3.980 5.027 . 0 0 "[ . 1 . 2]" 1
539 1 34 GLU QG 1 35 VAL H 5.000 2.500 6.000 4.180 3.897 4.426 . 0 0 "[ . 1 . 2]" 1
540 1 34 GLU H 1 35 VAL H 3.500 . 4.500 2.614 2.551 2.686 . 0 0 "[ . 1 . 2]" 1
541 1 34 GLU H 1 36 HIS H 5.000 2.500 6.000 4.137 3.953 4.464 . 0 0 "[ . 1 . 2]" 1
542 1 34 GLU HA 1 37 ALA MB 2.500 . 3.500 2.244 1.974 2.788 . 0 0 "[ . 1 . 2]" 1
543 1 34 GLU HA 1 37 ALA H 3.500 . 4.500 3.219 2.991 3.488 . 0 0 "[ . 1 . 2]" 1
544 1 34 GLU QG 1 37 ALA MB 3.500 . 4.500 3.512 3.078 4.111 . 0 0 "[ . 1 . 2]" 1
545 1 34 GLU HA 1 38 LYS H 5.000 2.500 6.000 3.709 3.105 4.989 . 0 0 "[ . 1 . 2]" 1
546 1 35 VAL HA 1 35 VAL HB 2.500 . 3.500 3.018 3.012 3.022 . 0 0 "[ . 1 . 2]" 1
547 1 35 VAL HA 1 35 VAL MG1 2.500 . 3.500 2.257 2.144 2.358 . 0 0 "[ . 1 . 2]" 1
548 1 35 VAL HA 1 35 VAL MG2 2.000 . 2.800 2.424 2.374 2.497 . 0 0 "[ . 1 . 2]" 1
549 1 35 VAL H 1 35 VAL HA 2.500 . 3.500 2.821 2.780 2.877 . 0 0 "[ . 1 . 2]" 1
550 1 35 VAL HB 1 35 VAL MG1 2.000 . 2.800 2.114 2.095 2.128 . 0 0 "[ . 1 . 2]" 1
551 1 35 VAL HB 1 35 VAL MG2 2.000 . 2.800 2.100 2.086 2.124 . 0 0 "[ . 1 . 2]" 1
552 1 35 VAL H 1 35 VAL HB 2.000 . 2.800 2.659 2.593 2.711 . 0 0 "[ . 1 . 2]" 1
553 1 35 VAL MG1 1 35 VAL MG2 2.000 . 2.800 1.999 1.915 2.084 . 0 0 "[ . 1 . 2]" 1
554 1 35 VAL H 1 35 VAL MG1 3.500 . 4.500 3.766 3.756 3.784 . 0 0 "[ . 1 . 2]" 1
555 1 35 VAL H 1 35 VAL MG2 2.500 . 3.500 2.086 1.951 2.220 . 0 0 "[ . 1 . 2]" 1
556 1 35 VAL HA 1 36 HIS H 3.500 . 4.500 3.498 3.484 3.544 . 0 0 "[ . 1 . 2]" 1
557 1 35 VAL HB 1 36 HIS H 2.500 . 3.500 2.824 2.564 2.922 . 0 0 "[ . 1 . 2]" 1
558 1 35 VAL MG1 1 36 HIS HA 3.500 . 4.500 3.835 3.728 4.018 . 0 0 "[ . 1 . 2]" 1
559 1 35 VAL MG1 1 36 HIS HD2 3.500 . 4.500 4.414 3.877 4.508 0.008 12 0 "[ . 1 . 2]" 1
560 1 35 VAL MG1 1 36 HIS HE1 5.000 2.500 6.000 5.027 4.260 6.007 0.007 13 0 "[ . 1 . 2]" 1
561 1 35 VAL MG1 1 36 HIS H 3.500 . 4.500 3.777 3.597 3.909 . 0 0 "[ . 1 . 2]" 1
562 1 35 VAL MG2 1 36 HIS H 3.500 . 4.500 3.785 3.695 3.848 . 0 0 "[ . 1 . 2]" 1
563 1 35 VAL H 1 36 HIS H 2.500 . 3.500 2.606 2.400 2.797 . 0 0 "[ . 1 . 2]" 1
564 1 35 VAL HA 1 37 ALA H 5.000 2.500 6.000 4.526 4.256 4.738 . 0 0 "[ . 1 . 2]" 1
565 1 35 VAL H 1 37 ALA H 5.000 2.500 6.000 3.887 3.760 3.939 . 0 0 "[ . 1 . 2]" 1
566 1 35 VAL HA 1 38 LYS QB 3.500 . 4.500 4.130 3.395 4.503 0.003 7 0 "[ . 1 . 2]" 1
567 1 35 VAL HA 1 38 LYS H 3.500 . 4.500 4.146 3.834 4.373 . 0 0 "[ . 1 . 2]" 1
568 1 35 VAL HA 1 39 ALA H 5.000 2.500 6.000 5.081 4.310 5.971 . 0 0 "[ . 1 . 2]" 1
569 1 35 VAL MG1 1 39 ALA MB 3.500 . 4.500 3.547 2.983 4.118 . 0 0 "[ . 1 . 2]" 1
570 1 36 HIS HA 1 36 HIS HB3 2.500 . 3.500 2.614 2.556 2.688 . 0 0 "[ . 1 . 2]" 1
571 1 36 HIS HA 1 36 HIS HD2 2.500 . 3.500 2.532 2.206 2.759 . 0 0 "[ . 1 . 2]" 1
572 1 36 HIS HB3 1 36 HIS HD2 3.500 . 4.500 3.158 3.026 3.364 . 0 0 "[ . 1 . 2]" 1
573 1 36 HIS H 1 36 HIS HB3 3.500 . 4.500 3.570 3.469 3.662 . 0 0 "[ . 1 . 2]" 1
574 1 36 HIS H 1 36 HIS HB2 2.500 . 3.500 2.311 2.173 2.446 . 0 0 "[ . 1 . 2]" 1
575 1 36 HIS H 1 36 HIS HD2 5.000 2.500 6.000 4.771 4.207 4.989 . 0 0 "[ . 1 . 2]" 1
576 1 36 HIS HA 1 37 ALA H 3.500 . 4.500 3.482 3.451 3.492 . 0 0 "[ . 1 . 2]" 1
577 1 36 HIS HB3 1 37 ALA H 5.000 2.500 6.000 3.668 3.548 3.875 . 0 0 "[ . 1 . 2]" 1
578 1 36 HIS HB2 1 37 ALA HA 5.000 2.500 6.000 4.633 4.503 4.842 . 0 0 "[ . 1 . 2]" 1
579 1 36 HIS HB2 1 37 ALA H 3.500 . 4.500 3.014 2.938 3.108 . 0 0 "[ . 1 . 2]" 1
580 1 36 HIS H 1 37 ALA MB 5.000 2.500 6.000 3.891 3.754 4.082 . 0 0 "[ . 1 . 2]" 1
581 1 36 HIS H 1 37 ALA H 2.500 . 3.500 2.177 2.001 2.375 . 0 0 "[ . 1 . 2]" 1
582 1 36 HIS H 1 38 LYS H 5.000 2.500 6.000 3.906 3.642 4.433 . 0 0 "[ . 1 . 2]" 1
583 1 36 HIS HD2 1 39 ALA MB 3.500 . 4.500 3.338 2.871 3.810 . 0 0 "[ . 1 . 2]" 1
584 1 36 HIS H 1 39 ALA H 5.000 2.500 6.000 4.955 4.313 5.416 . 0 0 "[ . 1 . 2]" 1
585 1 36 HIS HA 1 42 VAL MG1 3.500 . 4.500 4.036 3.247 4.400 . 0 0 "[ . 1 . 2]" 1
586 1 36 HIS HA 1 42 VAL MG2 3.500 . 4.500 2.921 2.374 3.274 . 0 0 "[ . 1 . 2]" 1
587 1 36 HIS HB3 1 42 VAL QG 3.500 . 4.500 2.910 2.324 3.283 . 0 0 "[ . 1 . 2]" 1
588 1 36 HIS HD2 1 42 VAL HA 5.000 2.500 6.000 4.026 3.346 4.496 . 0 0 "[ . 1 . 2]" 1
589 1 36 HIS HD2 1 42 VAL HB 3.500 . 4.500 4.147 3.818 4.501 0.001 18 0 "[ . 1 . 2]" 1
590 1 36 HIS HD2 1 42 VAL QG 2.500 . 3.500 1.845 1.719 2.048 . 0 0 "[ . 1 . 2]" 1
591 1 36 HIS HE1 1 42 VAL QG 5.000 2.500 6.000 4.101 3.591 4.358 . 0 0 "[ . 1 . 2]" 1
592 1 36 HIS HA 1 58 PHE HZ 5.000 2.500 6.000 4.577 3.669 5.324 . 0 0 "[ . 1 . 2]" 1
593 1 36 HIS HB3 1 58 PHE QE 3.500 . 4.500 3.905 3.209 4.212 . 0 0 "[ . 1 . 2]" 1
594 1 36 HIS HB3 1 58 PHE HZ 2.500 . 3.500 2.723 2.007 3.130 . 0 0 "[ . 1 . 2]" 1
595 1 36 HIS HB2 1 58 PHE HZ 3.500 . 4.500 4.270 3.658 4.502 0.002 18 0 "[ . 1 . 2]" 1
596 1 37 ALA HA 1 37 ALA MB 2.000 . 2.800 2.120 2.098 2.129 . 0 0 "[ . 1 . 2]" 1
597 1 37 ALA H 1 37 ALA MB 2.500 . 3.500 2.210 2.101 2.306 . 0 0 "[ . 1 . 2]" 1
598 1 37 ALA HA 1 38 LYS H 5.000 2.500 6.000 3.481 3.146 3.571 . 0 0 "[ . 1 . 2]" 1
599 1 37 ALA MB 1 38 LYS HA 5.000 2.500 6.000 4.027 3.862 4.403 . 0 0 "[ . 1 . 2]" 1
600 1 37 ALA MB 1 38 LYS H 3.500 . 4.500 2.736 2.233 3.474 . 0 0 "[ . 1 . 2]" 1
601 1 37 ALA H 1 38 LYS H 2.500 . 3.500 2.597 2.408 2.789 . 0 0 "[ . 1 . 2]" 1
602 1 37 ALA HA 1 39 ALA H 5.000 2.500 6.000 4.176 3.784 4.699 . 0 0 "[ . 1 . 2]" 1
603 1 37 ALA MB 1 39 ALA H 5.000 2.500 6.000 4.496 4.252 4.911 . 0 0 "[ . 1 . 2]" 1
604 1 37 ALA HA 1 51 PHE HB3 3.500 . 4.500 3.524 2.957 4.245 . 0 0 "[ . 1 . 2]" 1
605 1 37 ALA HA 1 51 PHE HB2 3.500 . 4.500 3.203 2.548 3.728 . 0 0 "[ . 1 . 2]" 1
606 1 37 ALA HA 1 51 PHE QD 3.500 . 4.500 3.315 2.127 4.031 . 0 0 "[ . 1 . 2]" 1
607 1 37 ALA HA 1 51 PHE H 5.000 2.500 6.000 5.344 4.658 5.960 . 0 0 "[ . 1 . 2]" 1
608 1 37 ALA MB 1 51 PHE QB 3.500 . 4.500 4.090 3.569 4.504 0.004 12 0 "[ . 1 . 2]" 1
609 1 37 ALA MB 1 51 PHE QD 3.500 . 4.500 3.631 2.862 4.191 . 0 0 "[ . 1 . 2]" 1
610 1 37 ALA MB 1 51 PHE QE 3.500 . 4.500 3.580 2.476 4.241 . 0 0 "[ . 1 . 2]" 1
611 1 37 ALA HA 1 58 PHE HZ 5.000 2.500 6.000 4.197 3.615 4.889 . 0 0 "[ . 1 . 2]" 1
612 1 38 LYS HA 1 38 LYS QB 2.500 . 3.500 2.465 2.342 2.540 . 0 0 "[ . 1 . 2]" 1
613 1 38 LYS HA 1 38 LYS HB3 2.500 . 3.500 2.822 2.439 3.023 . 0 0 "[ . 1 . 2]" 1
614 1 38 LYS HA 1 38 LYS HB2 2.500 . 3.500 2.794 2.500 3.023 . 0 0 "[ . 1 . 2]" 1
615 1 38 LYS HA 1 38 LYS QG 2.000 . 2.800 2.317 2.073 2.694 . 0 0 "[ . 1 . 2]" 1
616 1 38 LYS H 1 38 LYS HA 2.500 . 3.500 2.926 2.873 2.948 . 0 0 "[ . 1 . 2]" 1
617 1 38 LYS H 1 38 LYS QB 2.500 . 3.500 2.406 2.145 2.785 . 0 0 "[ . 1 . 2]" 1
618 1 38 LYS H 1 38 LYS QG 3.500 . 4.500 3.683 2.612 4.151 . 0 0 "[ . 1 . 2]" 1
619 1 38 LYS HA 1 39 ALA H 3.500 . 4.500 3.059 2.727 3.531 . 0 0 "[ . 1 . 2]" 1
620 1 38 LYS QB 1 39 ALA H 3.500 . 4.500 3.530 2.580 3.944 . 0 0 "[ . 1 . 2]" 1
621 1 39 ALA HA 1 39 ALA MB 2.000 . 2.800 2.104 2.084 2.128 . 0 0 "[ . 1 . 2]" 1
622 1 39 ALA H 1 39 ALA HA 2.500 . 3.500 2.870 2.762 2.911 . 0 0 "[ . 1 . 2]" 1
623 1 39 ALA H 1 39 ALA MB 2.000 . 2.800 2.173 2.036 2.293 . 0 0 "[ . 1 . 2]" 1
624 1 39 ALA HA 1 41 SER H 5.000 2.500 6.000 4.320 3.828 5.008 . 0 0 "[ . 1 . 2]" 1
625 1 39 ALA MB 1 41 SER H 2.500 . 3.500 2.873 2.366 3.504 0.004 1 0 "[ . 1 . 2]" 1
626 1 39 ALA MB 1 42 VAL QG 2.000 . 2.800 2.291 1.799 2.801 0.001 6 0 "[ . 1 . 2]" 1
627 1 39 ALA H 1 42 VAL QG 5.000 2.500 6.000 4.220 3.627 4.644 . 0 0 "[ . 1 . 2]" 1
628 1 40 SER QB 1 41 SER H 3.500 . 4.500 2.936 1.998 4.033 0.002 17 0 "[ . 1 . 2]" 1
629 1 41 SER H 1 41 SER HB3 3.500 . 4.500 3.383 2.645 3.853 . 0 0 "[ . 1 . 2]" 1
630 1 41 SER H 1 41 SER HB2 5.000 2.500 6.000 3.916 3.547 4.113 . 0 0 "[ . 1 . 2]" 1
631 1 41 SER HA 1 42 VAL QG 5.000 2.500 6.000 3.475 3.094 3.844 . 0 0 "[ . 1 . 2]" 1
632 1 41 SER HA 1 42 VAL H 2.500 . 3.500 2.187 2.140 2.348 . 0 0 "[ . 1 . 2]" 1
633 1 41 SER HB3 1 42 VAL H 5.000 2.500 6.000 4.305 3.740 4.551 . 0 0 "[ . 1 . 2]" 1
634 1 41 SER HB2 1 42 VAL H 3.500 . 4.500 3.543 2.626 4.183 . 0 0 "[ . 1 . 2]" 1
635 1 41 SER H 1 42 VAL H 5.000 2.500 6.000 3.908 3.019 4.509 . 0 0 "[ . 1 . 2]" 1
636 1 41 SER HB2 1 48 ASN HA 5.000 2.500 6.000 4.346 3.731 5.087 . 0 0 "[ . 1 . 2]" 1
637 1 41 SER HB2 1 48 ASN HB3 5.000 2.500 6.000 3.463 2.679 4.512 . 0 0 "[ . 1 . 2]" 1
638 1 41 SER HA 1 50 ARG QB 5.000 2.500 6.000 4.110 3.084 5.046 . 0 0 "[ . 1 . 2]" 1
639 1 41 SER HA 1 61 LEU QD 3.500 . 4.500 3.331 2.479 4.186 . 0 0 "[ . 1 . 2]" 1
640 1 41 SER HA 1 61 LEU MD1 5.000 2.500 6.000 3.612 2.503 5.178 . 0 0 "[ . 1 . 2]" 1
641 1 41 SER HA 1 61 LEU MD2 5.000 2.500 6.000 4.596 3.374 5.410 . 0 0 "[ . 1 . 2]" 1
642 1 41 SER HB3 1 61 LEU QD 3.500 . 4.500 2.802 1.999 3.847 0.001 14 0 "[ . 1 . 2]" 1
643 1 41 SER HB2 1 61 LEU MD1 3.500 . 4.500 3.088 2.066 4.499 . 0 0 "[ . 1 . 2]" 1
644 1 41 SER HB2 1 61 LEU MD2 3.500 . 4.500 3.818 2.524 4.504 0.004 7 0 "[ . 1 . 2]" 1
645 1 42 VAL HA 1 42 VAL HB 2.500 . 3.500 3.011 3.009 3.013 . 0 0 "[ . 1 . 2]" 1
646 1 42 VAL HA 1 42 VAL QG 2.500 . 3.500 2.058 2.021 2.077 . 0 0 "[ . 1 . 2]" 1
647 1 42 VAL H 1 42 VAL HA 2.500 . 3.500 2.926 2.881 2.950 . 0 0 "[ . 1 . 2]" 1
648 1 42 VAL HB 1 42 VAL QG 2.000 . 2.800 1.886 1.874 1.893 . 0 0 "[ . 1 . 2]" 1
649 1 42 VAL H 1 42 VAL HB 3.500 . 4.500 2.784 2.691 3.024 . 0 0 "[ . 1 . 2]" 1
650 1 42 VAL H 1 42 VAL QG 2.500 . 3.500 2.343 1.963 2.730 . 0 0 "[ . 1 . 2]" 1
651 1 42 VAL HA 1 43 PHE HA 5.000 2.500 6.000 4.357 4.327 4.379 . 0 0 "[ . 1 . 2]" 1
652 1 42 VAL HA 1 43 PHE H 2.500 . 3.500 2.340 2.331 2.344 . 0 0 "[ . 1 . 2]" 1
653 1 42 VAL HB 1 43 PHE H 2.500 . 3.500 3.507 3.503 3.515 0.015 6 0 "[ . 1 . 2]" 1
654 1 42 VAL QG 1 43 PHE H 3.500 . 4.500 1.993 1.989 1.996 0.011 6 0 "[ . 1 . 2]" 1
655 1 42 VAL H 1 43 PHE H 5.000 2.500 6.000 4.523 4.388 4.610 . 0 0 "[ . 1 . 2]" 1
656 1 42 VAL QG 1 44 LEU QB 3.500 . 4.500 3.695 2.928 4.227 . 0 0 "[ . 1 . 2]" 1
657 1 42 VAL QG 1 44 LEU QD 3.500 . 4.500 2.814 2.240 3.374 . 0 0 "[ . 1 . 2]" 1
658 1 42 VAL QG 1 44 LEU H 5.000 2.500 6.000 3.980 3.238 4.646 . 0 0 "[ . 1 . 2]" 1
659 1 42 VAL MG1 1 44 LEU QD 3.500 . 4.500 2.887 2.271 3.486 . 0 0 "[ . 1 . 2]" 1
660 1 42 VAL MG2 1 44 LEU QD 3.500 . 4.500 3.985 3.268 4.502 0.002 1 0 "[ . 1 . 2]" 1
661 1 42 VAL QG 1 49 GLN H 3.500 . 4.500 4.252 3.868 4.485 . 0 0 "[ . 1 . 2]" 1
662 1 42 VAL H 1 49 GLN QB 3.500 . 4.500 4.258 3.819 4.500 0.000 17 0 "[ . 1 . 2]" 1
663 1 42 VAL QG 1 50 ARG HA 5.000 2.500 6.000 3.399 2.729 3.876 . 0 0 "[ . 1 . 2]" 1
664 1 42 VAL QG 1 50 ARG H 5.000 2.500 6.000 5.258 4.641 5.574 . 0 0 "[ . 1 . 2]" 1
665 1 42 VAL H 1 50 ARG HA 5.000 2.500 6.000 3.527 2.992 4.229 . 0 0 "[ . 1 . 2]" 1
666 1 42 VAL QG 1 51 PHE H 5.000 2.500 6.000 3.954 3.371 4.533 . 0 0 "[ . 1 . 2]" 1
667 1 42 VAL HB 1 58 PHE QE 3.500 . 4.500 3.075 2.499 3.582 . 0 0 "[ . 1 . 2]" 1
668 1 42 VAL HB 1 58 PHE HZ 5.000 2.500 6.000 4.534 3.641 5.199 . 0 0 "[ . 1 . 2]" 1
669 1 42 VAL QG 1 58 PHE QD 3.500 . 4.500 3.964 3.413 4.498 . 0 0 "[ . 1 . 2]" 1
670 1 42 VAL QG 1 58 PHE QE 2.500 . 3.500 2.328 1.957 2.803 . 0 0 "[ . 1 . 2]" 1
671 1 42 VAL MG1 1 58 PHE HZ 3.500 . 4.500 4.163 3.661 4.501 0.001 1 0 "[ . 1 . 2]" 1
672 1 42 VAL MG2 1 58 PHE HZ 3.500 . 4.500 3.035 2.476 3.804 . 0 0 "[ . 1 . 2]" 1
673 1 43 PHE HA 1 43 PHE HB3 2.500 . 3.500 2.970 2.954 2.997 . 0 0 "[ . 1 . 2]" 1
674 1 43 PHE HA 1 43 PHE HB2 2.500 . 3.500 2.685 2.621 2.718 . 0 0 "[ . 1 . 2]" 1
675 1 43 PHE HA 1 43 PHE QD 3.500 . 4.500 2.202 2.001 2.654 . 0 0 "[ . 1 . 2]" 1
676 1 43 PHE HA 1 43 PHE QE 5.000 2.500 6.000 4.201 4.111 4.361 . 0 0 "[ . 1 . 2]" 1
677 1 43 PHE HB3 1 43 PHE QD 2.500 . 3.500 2.276 2.265 2.291 . 0 0 "[ . 1 . 2]" 1
678 1 43 PHE H 1 43 PHE HB3 2.500 . 3.500 2.916 2.790 2.992 . 0 0 "[ . 1 . 2]" 1
679 1 43 PHE HB2 1 43 PHE QD 2.500 . 3.500 2.665 2.517 2.723 . 0 0 "[ . 1 . 2]" 1
680 1 43 PHE H 1 43 PHE HB2 2.500 . 3.500 2.427 2.334 2.493 . 0 0 "[ . 1 . 2]" 1
681 1 43 PHE HA 1 44 LEU H 2.500 . 3.500 2.254 2.142 2.456 . 0 0 "[ . 1 . 2]" 1
682 1 43 PHE HB3 1 44 LEU H 5.000 2.500 6.000 4.224 3.857 4.357 . 0 0 "[ . 1 . 2]" 1
683 1 43 PHE QE 1 46 GLY HA3 3.500 . 4.500 3.892 3.629 4.197 . 0 0 "[ . 1 . 2]" 1
684 1 43 PHE QE 1 46 GLY HA2 3.500 . 4.500 2.629 2.326 2.945 . 0 0 "[ . 1 . 2]" 1
685 1 43 PHE QE 1 46 GLY H 5.000 2.500 6.000 4.195 3.749 4.541 . 0 0 "[ . 1 . 2]" 1
686 1 43 PHE HA 1 47 LEU H 5.000 2.500 6.000 4.172 2.945 5.817 . 0 0 "[ . 1 . 2]" 1
687 1 43 PHE QD 1 47 LEU HA 5.000 2.500 6.000 4.715 3.855 5.401 . 0 0 "[ . 1 . 2]" 1
688 1 43 PHE QE 1 47 LEU HA 3.500 . 4.500 3.941 2.670 4.501 0.001 2 0 "[ . 1 . 2]" 1
689 1 43 PHE HA 1 48 ASN HA 2.500 . 3.500 3.223 2.824 3.502 0.002 20 0 "[ . 1 . 2]" 1
690 1 43 PHE HA 1 48 ASN H 5.000 2.500 6.000 5.136 4.690 5.682 . 0 0 "[ . 1 . 2]" 1
691 1 43 PHE QD 1 48 ASN HA 3.500 . 4.500 3.560 2.875 4.150 . 0 0 "[ . 1 . 2]" 1
692 1 43 PHE QD 1 48 ASN H 5.000 2.500 6.000 4.890 3.950 5.584 . 0 0 "[ . 1 . 2]" 1
693 1 43 PHE QE 1 48 ASN H 5.000 2.500 6.000 4.740 3.627 5.658 . 0 0 "[ . 1 . 2]" 1
694 1 43 PHE H 1 48 ASN HA 5.000 2.500 6.000 5.299 4.932 5.707 . 0 0 "[ . 1 . 2]" 1
695 1 43 PHE HA 1 49 GLN H 3.500 . 4.500 3.971 3.630 4.310 . 0 0 "[ . 1 . 2]" 1
696 1 43 PHE QD 1 49 GLN H 5.000 2.500 6.000 5.106 4.585 5.707 . 0 0 "[ . 1 . 2]" 1
697 1 44 LEU HA 1 44 LEU QB 2.500 . 3.500 2.505 2.418 2.538 . 0 0 "[ . 1 . 2]" 1
698 1 44 LEU HA 1 44 LEU QD 2.500 . 3.500 2.385 1.959 2.940 . 0 0 "[ . 1 . 2]" 1
699 1 44 LEU HA 1 44 LEU HG 3.500 . 4.500 2.464 2.109 3.046 . 0 0 "[ . 1 . 2]" 1
700 1 44 LEU QB 1 44 LEU QD 2.500 . 3.500 1.871 1.721 1.949 . 0 0 "[ . 1 . 2]" 1
701 1 44 LEU QB 1 44 LEU MD1 2.500 . 3.500 2.176 1.952 2.335 . 0 0 "[ . 1 . 2]" 1
702 1 44 LEU QB 1 44 LEU MD2 2.500 . 3.500 2.050 1.912 2.233 . 0 0 "[ . 1 . 2]" 1
703 1 44 LEU QB 1 44 LEU HG 2.500 . 3.500 2.439 2.332 2.534 . 0 0 "[ . 1 . 2]" 1
704 1 44 LEU H 1 44 LEU QB 3.500 . 4.500 2.379 2.157 2.703 . 0 0 "[ . 1 . 2]" 1
705 1 44 LEU HB3 1 44 LEU QD 2.500 . 3.500 2.128 1.921 2.360 . 0 0 "[ . 1 . 2]" 1
706 1 44 LEU H 1 44 LEU HB3 3.500 . 4.500 3.151 2.636 3.590 . 0 0 "[ . 1 . 2]" 1
707 1 44 LEU HB2 1 44 LEU QD 2.500 . 3.500 2.087 1.942 2.175 . 0 0 "[ . 1 . 2]" 1
708 1 44 LEU H 1 44 LEU HB2 3.500 . 4.500 2.490 2.189 2.898 . 0 0 "[ . 1 . 2]" 1
709 1 44 LEU H 1 44 LEU MD1 5.000 2.500 6.000 3.777 3.237 4.402 . 0 0 "[ . 1 . 2]" 1
710 1 44 LEU H 1 44 LEU MD2 5.000 2.500 6.000 4.487 4.313 4.808 . 0 0 "[ . 1 . 2]" 1
711 1 44 LEU HA 1 45 SER H 2.500 . 3.500 2.144 2.136 2.173 . 0 0 "[ . 1 . 2]" 1
712 1 44 LEU QB 1 45 SER H 5.000 2.500 6.000 3.650 3.376 3.777 . 0 0 "[ . 1 . 2]" 1
713 1 44 LEU QD 1 45 SER H 3.500 . 4.500 3.435 2.566 4.095 . 0 0 "[ . 1 . 2]" 1
714 1 44 LEU HG 1 45 SER H 3.500 . 4.500 3.504 2.787 4.397 . 0 0 "[ . 1 . 2]" 1
715 1 44 LEU H 1 45 SER H 3.500 . 4.500 4.295 3.981 4.450 . 0 0 "[ . 1 . 2]" 1
716 1 44 LEU HA 1 46 GLY H 5.000 2.500 6.000 3.713 3.492 3.958 . 0 0 "[ . 1 . 2]" 1
717 1 44 LEU H 1 46 GLY H 5.000 2.500 6.000 4.118 3.293 4.707 . 0 0 "[ . 1 . 2]" 1
718 1 44 LEU HA 1 47 LEU H 5.000 2.500 6.000 4.640 4.238 5.660 . 0 0 "[ . 1 . 2]" 1
719 1 44 LEU H 1 47 LEU H 3.500 . 4.500 3.432 2.446 4.504 0.004 1 0 "[ . 1 . 2]" 1
720 1 44 LEU H 1 48 ASN HA 3.500 . 4.500 3.716 3.238 4.133 . 0 0 "[ . 1 . 2]" 1
721 1 44 LEU QB 1 49 GLN QB 3.500 . 4.500 2.554 2.073 3.305 . 0 0 "[ . 1 . 2]" 1
722 1 44 LEU QB 1 49 GLN QE 3.500 . 4.500 2.340 2.008 3.555 . 0 0 "[ . 1 . 2]" 1
723 1 44 LEU QB 1 49 GLN QG 3.500 . 4.500 3.153 2.136 4.060 . 0 0 "[ . 1 . 2]" 1
724 1 44 LEU QB 1 49 GLN H 5.000 2.500 6.000 4.002 3.361 4.477 . 0 0 "[ . 1 . 2]" 1
725 1 44 LEU QD 1 49 GLN QB 3.500 . 4.500 2.840 2.064 3.578 . 0 0 "[ . 1 . 2]" 1
726 1 44 LEU QD 1 49 GLN QE 3.500 . 4.500 2.484 2.000 3.640 . 0 0 "[ . 1 . 2]" 1
727 1 44 LEU QD 1 49 GLN QG 3.500 . 4.500 3.656 2.957 4.251 . 0 0 "[ . 1 . 2]" 1
728 1 44 LEU HG 1 49 GLN QE 3.500 . 4.500 4.116 3.499 4.502 0.002 18 0 "[ . 1 . 2]" 1
729 1 44 LEU H 1 49 GLN QG 5.000 2.500 6.000 4.159 2.900 5.418 . 0 0 "[ . 1 . 2]" 1
730 1 44 LEU H 1 49 GLN H 5.000 2.500 6.000 3.628 3.070 4.587 . 0 0 "[ . 1 . 2]" 1
731 1 44 LEU QD 1 58 PHE QB 2.500 . 3.500 2.801 2.159 3.293 . 0 0 "[ . 1 . 2]" 1
732 1 44 LEU QD 1 58 PHE HB3 3.500 . 4.500 3.118 2.280 3.767 . 0 0 "[ . 1 . 2]" 1
733 1 44 LEU QD 1 58 PHE QD 2.500 . 3.500 3.058 2.259 3.490 . 0 0 "[ . 1 . 2]" 1
734 1 44 LEU QD 1 58 PHE HB2 3.500 . 4.500 3.224 2.607 4.046 . 0 0 "[ . 1 . 2]" 1
735 1 44 LEU QD 1 58 PHE QE 3.500 . 4.500 3.495 2.469 4.178 . 0 0 "[ . 1 . 2]" 1
736 1 44 LEU QD 1 58 PHE H 5.000 2.500 6.000 4.897 4.162 5.808 . 0 0 "[ . 1 . 2]" 1
737 1 44 LEU QD 1 58 PHE HZ 5.000 2.500 6.000 4.237 3.307 5.039 . 0 0 "[ . 1 . 2]" 1
738 1 45 SER HA 1 45 SER QB 3.500 . 4.500 2.428 2.181 2.541 . 0 0 "[ . 1 . 2]" 1
739 1 45 SER H 1 45 SER HA 2.500 . 3.500 2.273 2.272 2.275 . 0 0 "[ . 1 . 2]" 1
740 1 45 SER H 1 45 SER QB 3.500 . 4.500 3.095 2.934 3.413 . 0 0 "[ . 1 . 2]" 1
741 1 45 SER HA 1 46 GLY H 2.500 . 3.500 2.909 2.772 3.052 . 0 0 "[ . 1 . 2]" 1
742 1 45 SER QB 1 46 GLY H 5.000 2.500 6.000 3.819 3.696 4.057 . 0 0 "[ . 1 . 2]" 1
743 1 45 SER H 1 46 GLY H 3.500 . 4.500 2.686 2.656 2.726 . 0 0 "[ . 1 . 2]" 1
744 1 45 SER H 1 47 LEU H 5.000 2.500 6.000 4.351 4.073 4.957 . 0 0 "[ . 1 . 2]" 1
745 1 45 SER QB 1 49 GLN QE 3.500 . 4.500 3.571 2.111 4.503 0.003 18 0 "[ . 1 . 2]" 1
746 1 46 GLY H 1 46 GLY QA 2.500 . 3.500 2.224 2.196 2.269 . 0 0 "[ . 1 . 2]" 1
747 1 46 GLY H 1 46 GLY HA3 2.500 . 3.500 2.864 2.800 2.926 . 0 0 "[ . 1 . 2]" 1
748 1 46 GLY H 1 46 GLY HA2 2.500 . 3.500 2.317 2.294 2.364 . 0 0 "[ . 1 . 2]" 1
749 1 46 GLY HA3 1 47 LEU H 3.500 . 4.500 3.303 2.751 3.554 . 0 0 "[ . 1 . 2]" 1
750 1 46 GLY HA2 1 47 LEU H 3.500 . 4.500 3.119 2.744 3.557 . 0 0 "[ . 1 . 2]" 1
751 1 46 GLY H 1 47 LEU H 3.500 . 4.500 2.745 2.517 3.279 . 0 0 "[ . 1 . 2]" 1
752 1 47 LEU HA 1 47 LEU QB 3.500 . 4.500 2.478 2.156 2.539 . 0 0 "[ . 1 . 2]" 1
753 1 47 LEU HA 1 47 LEU QD 2.500 . 3.500 2.693 2.310 3.355 . 0 0 "[ . 1 . 2]" 1
754 1 47 LEU HA 1 47 LEU HB2 5.000 2.500 6.000 2.756 2.481 2.960 0.019 3 0 "[ . 1 . 2]" 1
755 1 47 LEU QB 1 47 LEU QD 2.000 . 2.800 1.813 1.730 1.896 . 0 0 "[ . 1 . 2]" 1
756 1 47 LEU H 1 47 LEU QB 2.500 . 3.500 2.512 2.078 2.830 . 0 0 "[ . 1 . 2]" 1
757 1 47 LEU H 1 47 LEU HB3 2.500 . 3.500 3.213 2.742 3.500 . 0 0 "[ . 1 . 2]" 1
758 1 47 LEU H 1 47 LEU HB2 2.500 . 3.500 2.722 2.103 3.548 0.048 1 0 "[ . 1 . 2]" 1
759 1 47 LEU H 1 47 LEU QD 3.500 . 4.500 3.584 1.998 4.084 0.002 1 0 "[ . 1 . 2]" 1
760 1 47 LEU H 1 47 LEU HG 3.500 . 4.500 4.278 2.019 4.518 0.018 18 0 "[ . 1 . 2]" 1
761 1 47 LEU HA 1 48 ASN H 3.500 . 4.500 2.377 2.222 2.711 . 0 0 "[ . 1 . 2]" 1
762 1 47 LEU HB3 1 48 ASN H 3.500 . 4.500 3.065 2.171 3.847 . 0 0 "[ . 1 . 2]" 1
763 1 47 LEU HB2 1 48 ASN H 3.500 . 4.500 3.931 2.321 4.313 . 0 0 "[ . 1 . 2]" 1
764 1 47 LEU QD 1 48 ASN H 3.500 . 4.500 2.776 1.999 3.817 0.001 6 0 "[ . 1 . 2]" 1
765 1 47 LEU H 1 48 ASN H 5.000 2.500 6.000 4.446 4.287 4.609 . 0 0 "[ . 1 . 2]" 1
766 1 47 LEU QD 1 49 GLN QE 3.500 . 4.500 3.799 2.286 4.435 . 0 0 "[ . 1 . 2]" 1
767 1 47 LEU QD 1 60 ASP HA 3.500 . 4.500 3.842 3.000 4.504 0.004 11 0 "[ . 1 . 2]" 1
768 1 47 LEU QD 1 60 ASP HB2 3.500 . 4.500 4.011 3.045 4.393 . 0 0 "[ . 1 . 2]" 1
769 1 48 ASN HA 1 48 ASN HB3 2.500 . 3.500 2.580 2.407 2.705 . 0 0 "[ . 1 . 2]" 1
770 1 48 ASN HA 1 48 ASN HB2 2.500 . 3.500 2.997 2.960 3.026 . 0 0 "[ . 1 . 2]" 1
771 1 48 ASN HB3 1 48 ASN QD 3.500 . 4.500 2.670 2.101 3.253 . 0 0 "[ . 1 . 2]" 1
772 1 48 ASN H 1 48 ASN HB3 3.500 . 4.500 3.563 3.455 3.805 . 0 0 "[ . 1 . 2]" 1
773 1 48 ASN HB2 1 48 ASN QD 3.500 . 4.500 2.608 2.097 3.348 . 0 0 "[ . 1 . 2]" 1
774 1 48 ASN H 1 48 ASN HB2 2.500 . 3.500 2.352 2.163 2.722 . 0 0 "[ . 1 . 2]" 1
775 1 48 ASN H 1 48 ASN QD 3.500 . 4.500 3.817 2.764 4.349 . 0 0 "[ . 1 . 2]" 1
776 1 48 ASN HA 1 49 GLN HA 3.500 . 4.500 4.401 4.383 4.457 . 0 0 "[ . 1 . 2]" 1
777 1 48 ASN HA 1 49 GLN H 2.000 . 2.800 2.161 2.139 2.291 . 0 0 "[ . 1 . 2]" 1
778 1 48 ASN HB3 1 49 GLN H 3.500 . 4.500 3.509 2.915 4.102 . 0 0 "[ . 1 . 2]" 1
779 1 48 ASN HB2 1 49 GLN H 5.000 2.500 6.000 4.372 4.030 4.585 . 0 0 "[ . 1 . 2]" 1
780 1 48 ASN H 1 49 GLN H 5.000 2.500 6.000 4.400 3.725 4.600 . 0 0 "[ . 1 . 2]" 1
781 1 48 ASN HA 1 61 LEU QD 5.000 2.500 6.000 3.871 3.522 4.169 . 0 0 "[ . 1 . 2]" 1
782 1 48 ASN HA 1 61 LEU MD1 5.000 2.500 6.000 4.213 3.661 5.986 . 0 0 "[ . 1 . 2]" 1
783 1 48 ASN HA 1 61 LEU MD2 5.000 2.500 6.000 4.871 3.681 5.832 . 0 0 "[ . 1 . 2]" 1
784 1 48 ASN HB3 1 61 LEU QD 3.500 . 4.500 2.090 1.998 2.408 0.002 16 0 "[ . 1 . 2]" 1
785 1 48 ASN HB3 1 61 LEU MD1 3.500 . 4.500 2.388 2.004 4.156 . 0 0 "[ . 1 . 2]" 1
786 1 48 ASN HB3 1 61 LEU MD2 3.500 . 4.500 2.860 2.127 4.360 . 0 0 "[ . 1 . 2]" 1
787 1 48 ASN HB3 1 61 LEU HG 3.500 . 4.500 3.814 2.224 4.503 0.003 17 0 "[ . 1 . 2]" 1
788 1 48 ASN HB2 1 61 LEU QD 3.500 . 4.500 2.522 1.999 3.263 0.001 6 0 "[ . 1 . 2]" 1
789 1 49 GLN HA 1 49 GLN QG 2.500 . 3.500 2.324 2.162 2.504 . 0 0 "[ . 1 . 2]" 1
790 1 49 GLN HA 1 49 GLN HG3 3.500 . 4.500 2.897 2.217 3.619 . 0 0 "[ . 1 . 2]" 1
791 1 49 GLN HA 1 49 GLN HG2 3.500 . 4.500 2.646 2.239 3.366 . 0 0 "[ . 1 . 2]" 1
792 1 49 GLN HB3 1 49 GLN QE 3.500 . 4.500 3.602 2.652 4.091 . 0 0 "[ . 1 . 2]" 1
793 1 49 GLN H 1 49 GLN HB3 3.500 . 4.500 3.728 3.280 3.903 . 0 0 "[ . 1 . 2]" 1
794 1 49 GLN HB2 1 49 GLN QE 3.500 . 4.500 3.379 2.133 3.947 . 0 0 "[ . 1 . 2]" 1
795 1 49 GLN H 1 49 GLN HB2 3.500 . 4.500 2.665 2.333 2.900 . 0 0 "[ . 1 . 2]" 1
796 1 49 GLN QE 1 49 GLN QG 3.500 . 4.500 2.153 2.068 2.551 . 0 0 "[ . 1 . 2]" 1
797 1 49 GLN H 1 49 GLN QG 3.500 . 4.500 3.311 2.785 4.041 . 0 0 "[ . 1 . 2]" 1
798 1 49 GLN HA 1 50 ARG H 2.500 . 3.500 2.336 2.142 2.618 . 0 0 "[ . 1 . 2]" 1
799 1 49 GLN QB 1 50 ARG H 3.500 . 4.500 2.658 2.001 3.398 . 0 0 "[ . 1 . 2]" 1
800 1 49 GLN QG 1 50 ARG H 3.500 . 4.500 3.718 2.169 4.224 . 0 0 "[ . 1 . 2]" 1
801 1 49 GLN H 1 50 ARG H 5.000 2.500 6.000 4.410 4.130 4.532 . 0 0 "[ . 1 . 2]" 1
802 1 49 GLN HA 1 58 PHE QD 5.000 2.500 6.000 4.455 4.114 5.128 . 0 0 "[ . 1 . 2]" 1
803 1 49 GLN QB 1 58 PHE QB 3.500 . 4.500 2.708 2.170 4.147 . 0 0 "[ . 1 . 2]" 1
804 1 49 GLN QB 1 58 PHE QD 3.500 . 4.500 2.381 2.105 2.918 . 0 0 "[ . 1 . 2]" 1
805 1 49 GLN QG 1 58 PHE QB 3.500 . 4.500 3.811 2.547 4.448 . 0 0 "[ . 1 . 2]" 1
806 1 49 GLN QG 1 58 PHE QD 3.500 . 4.500 4.226 3.426 4.505 0.005 5 0 "[ . 1 . 2]" 1
807 1 49 GLN QE 1 59 HIS H 5.000 2.500 6.000 5.560 4.568 6.003 0.003 18 0 "[ . 1 . 2]" 1
808 1 49 GLN QG 1 59 HIS H 5.000 2.500 6.000 4.410 3.068 5.217 . 0 0 "[ . 1 . 2]" 1
809 1 49 GLN HA 1 60 ASP HA 3.500 . 4.500 2.711 2.164 3.282 . 0 0 "[ . 1 . 2]" 1
810 1 49 GLN QB 1 60 ASP HA 3.500 . 4.500 3.720 3.127 4.266 . 0 0 "[ . 1 . 2]" 1
811 1 49 GLN QG 1 60 ASP HA 3.500 . 4.500 2.218 1.993 2.634 0.007 1 0 "[ . 1 . 2]" 1
812 1 49 GLN HA 1 61 LEU HA 5.000 2.500 6.000 3.891 3.504 4.413 . 0 0 "[ . 1 . 2]" 1
813 1 49 GLN HA 1 61 LEU QB 3.500 . 4.500 3.718 2.837 4.501 0.001 15 0 "[ . 1 . 2]" 1
814 1 49 GLN HA 1 61 LEU MD1 5.000 2.500 6.000 3.877 2.773 5.157 . 0 0 "[ . 1 . 2]" 1
815 1 49 GLN HA 1 61 LEU MD2 5.000 2.500 6.000 4.836 2.666 5.589 . 0 0 "[ . 1 . 2]" 1
816 1 49 GLN HA 1 61 LEU H 2.500 . 3.500 3.088 2.526 3.374 . 0 0 "[ . 1 . 2]" 1
817 1 49 GLN H 1 61 LEU QD 5.000 2.500 6.000 3.895 3.298 4.786 . 0 0 "[ . 1 . 2]" 1
818 1 49 GLN HA 1 62 GLN H 5.000 2.500 6.000 5.474 4.974 5.775 . 0 0 "[ . 1 . 2]" 1
819 1 50 ARG HA 1 50 ARG QB 3.500 . 4.500 2.436 2.180 2.541 . 0 0 "[ . 1 . 2]" 1
820 1 50 ARG HA 1 50 ARG QG 3.500 . 4.500 2.399 2.040 3.346 . 0 0 "[ . 1 . 2]" 1
821 1 50 ARG H 1 50 ARG HA 5.000 2.500 6.000 2.934 2.873 2.947 . 0 0 "[ . 1 . 2]" 1
822 1 50 ARG QB 1 50 ARG QD 5.000 2.500 6.000 2.507 2.443 2.670 0.057 15 0 "[ . 1 . 2]" 1
823 1 50 ARG QB 1 50 ARG HE 3.500 . 4.500 2.316 1.964 3.084 0.036 15 0 "[ . 1 . 2]" 1
824 1 50 ARG QB 1 50 ARG QG 3.500 . 4.500 2.048 2.009 2.088 . 0 0 "[ . 1 . 2]" 1
825 1 50 ARG H 1 50 ARG HB3 5.000 2.500 6.000 3.315 2.580 3.875 . 0 0 "[ . 1 . 2]" 1
826 1 50 ARG QD 1 50 ARG HE 3.500 . 4.500 2.366 2.191 2.490 . 0 0 "[ . 1 . 2]" 1
827 1 50 ARG QD 1 50 ARG QG 2.000 . 2.800 1.986 1.961 2.027 . 0 0 "[ . 1 . 2]" 1
828 1 50 ARG H 1 50 ARG HB2 5.000 2.500 6.000 2.752 2.497 3.651 0.003 3 0 "[ . 1 . 2]" 1
829 1 50 ARG HE 1 50 ARG HG3 3.500 . 4.500 3.232 2.251 4.019 . 0 0 "[ . 1 . 2]" 1
830 1 50 ARG HE 1 50 ARG HG2 3.500 . 4.500 3.441 2.622 3.957 . 0 0 "[ . 1 . 2]" 1
831 1 50 ARG HA 1 51 PHE H 3.500 . 4.500 2.294 2.145 2.491 . 0 0 "[ . 1 . 2]" 1
832 1 50 ARG QB 1 51 PHE H 5.000 2.500 6.000 2.996 2.501 3.777 . 0 0 "[ . 1 . 2]" 1
833 1 50 ARG QG 1 51 PHE H 3.500 . 4.500 3.268 1.997 4.454 0.003 13 0 "[ . 1 . 2]" 1
834 1 50 ARG HA 1 58 PHE QD 3.500 . 4.500 3.579 3.059 4.221 . 0 0 "[ . 1 . 2]" 1
835 1 50 ARG HA 1 58 PHE QE 3.500 . 4.500 3.338 2.660 3.971 . 0 0 "[ . 1 . 2]" 1
836 1 50 ARG H 1 58 PHE HA 5.000 2.500 6.000 4.598 4.004 5.622 . 0 0 "[ . 1 . 2]" 1
837 1 50 ARG H 1 58 PHE QD 3.500 . 4.500 3.389 2.781 4.231 . 0 0 "[ . 1 . 2]" 1
838 1 50 ARG H 1 59 HIS H 3.500 . 4.500 3.030 2.240 4.084 . 0 0 "[ . 1 . 2]" 1
839 1 50 ARG H 1 60 ASP HA 5.000 2.500 6.000 4.086 3.441 4.555 . 0 0 "[ . 1 . 2]" 1
840 1 50 ARG QB 1 61 LEU HA 5.000 2.500 6.000 3.773 2.692 4.956 . 0 0 "[ . 1 . 2]" 1
841 1 50 ARG HE 1 61 LEU QD 3.500 . 4.500 3.838 2.402 4.504 0.004 2 0 "[ . 1 . 2]" 1
842 1 50 ARG H 1 61 LEU HA 5.000 2.500 6.000 4.254 3.529 4.992 . 0 0 "[ . 1 . 2]" 1
843 1 50 ARG H 1 61 LEU QD 5.000 2.500 6.000 3.938 2.501 4.973 . 0 0 "[ . 1 . 2]" 1
844 1 50 ARG H 1 61 LEU H 5.000 2.500 6.000 4.717 4.132 5.260 . 0 0 "[ . 1 . 2]" 1
845 1 50 ARG QB 1 64 PHE QE 5.000 2.500 6.000 2.637 2.493 3.955 0.007 9 0 "[ . 1 . 2]" 1
846 1 50 ARG H 1 64 PHE QD 5.000 2.500 6.000 4.626 3.647 5.986 . 0 0 "[ . 1 . 2]" 1
847 1 50 ARG H 1 64 PHE QE 3.500 . 4.500 3.131 2.197 4.306 . 0 0 "[ . 1 . 2]" 1
848 1 50 ARG H 1 64 PHE HZ 5.000 2.500 6.000 4.296 2.810 6.002 0.002 13 0 "[ . 1 . 2]" 1
849 1 51 PHE HA 1 51 PHE QB 2.500 . 3.500 2.376 2.354 2.444 . 0 0 "[ . 1 . 2]" 1
850 1 51 PHE HA 1 51 PHE QD 3.500 . 4.500 2.506 2.129 3.025 . 0 0 "[ . 1 . 2]" 1
851 1 51 PHE H 1 51 PHE HA 5.000 2.500 6.000 2.860 2.792 2.910 . 0 0 "[ . 1 . 2]" 1
852 1 51 PHE H 1 51 PHE QB 3.500 . 4.500 2.277 2.244 2.330 . 0 0 "[ . 1 . 2]" 1
853 1 51 PHE HB3 1 51 PHE QD 3.500 . 4.500 2.298 2.265 2.423 . 0 0 "[ . 1 . 2]" 1
854 1 51 PHE H 1 51 PHE HB3 3.500 . 4.500 2.550 2.478 2.724 . 0 0 "[ . 1 . 2]" 1
855 1 51 PHE HB2 1 51 PHE QD 3.500 . 4.500 2.552 2.347 2.696 . 0 0 "[ . 1 . 2]" 1
856 1 51 PHE H 1 51 PHE HB2 3.500 . 4.500 2.574 2.444 2.712 . 0 0 "[ . 1 . 2]" 1
857 1 51 PHE H 1 51 PHE QD 5.000 2.500 6.000 4.191 4.158 4.229 . 0 0 "[ . 1 . 2]" 1
858 1 51 PHE HA 1 52 CYS QB 5.000 2.500 6.000 4.100 3.951 4.194 . 0 0 "[ . 1 . 2]" 1
859 1 51 PHE HA 1 52 CYS H 2.500 . 3.500 2.170 2.139 2.344 . 0 0 "[ . 1 . 2]" 1
860 1 51 PHE QB 1 52 CYS H 5.000 2.500 6.000 3.825 3.271 4.004 . 0 0 "[ . 1 . 2]" 1
861 1 51 PHE QD 1 52 CYS H 5.000 2.500 6.000 3.504 2.789 4.148 . 0 0 "[ . 1 . 2]" 1
862 1 51 PHE QD 1 53 GLN HA 5.000 2.500 6.000 4.064 3.077 4.590 . 0 0 "[ . 1 . 2]" 1
863 1 51 PHE QD 1 53 GLN HG3 5.000 2.500 6.000 4.031 2.506 5.956 . 0 0 "[ . 1 . 2]" 1
864 1 51 PHE QD 1 53 GLN HG2 5.000 2.500 6.000 4.274 2.499 5.871 0.001 19 0 "[ . 1 . 2]" 1
865 1 51 PHE QE 1 53 GLN HA 3.500 . 4.500 3.184 2.286 3.878 . 0 0 "[ . 1 . 2]" 1
866 1 51 PHE QE 1 53 GLN QB 3.500 . 4.500 3.836 2.447 4.479 . 0 0 "[ . 1 . 2]" 1
867 1 51 PHE HZ 1 53 GLN HA 5.000 2.500 6.000 4.105 3.455 4.838 . 0 0 "[ . 1 . 2]" 1
868 1 51 PHE QE 1 56 SER HA 3.500 . 4.500 3.490 2.323 4.049 . 0 0 "[ . 1 . 2]" 1
869 1 51 PHE HZ 1 56 SER HA 3.500 . 4.500 3.192 2.668 3.774 . 0 0 "[ . 1 . 2]" 1
870 1 51 PHE HZ 1 56 SER HB3 5.000 2.500 6.000 5.226 3.867 5.985 . 0 0 "[ . 1 . 2]" 1
871 1 51 PHE HZ 1 56 SER HB2 5.000 2.500 6.000 5.023 4.202 5.552 . 0 0 "[ . 1 . 2]" 1
872 1 51 PHE HZ 1 56 SER H 5.000 2.500 6.000 5.326 4.852 5.917 . 0 0 "[ . 1 . 2]" 1
873 1 51 PHE QE 1 57 ARG HA 3.500 . 4.500 3.849 3.136 4.371 . 0 0 "[ . 1 . 2]" 1
874 1 51 PHE QE 1 57 ARG H 5.000 2.500 6.000 4.800 4.178 5.389 . 0 0 "[ . 1 . 2]" 1
875 1 51 PHE HZ 1 57 ARG HA 5.000 2.500 6.000 5.468 4.619 6.003 0.003 11 0 "[ . 1 . 2]" 1
876 1 51 PHE HA 1 58 PHE HA 2.500 . 3.500 2.592 2.315 3.029 . 0 0 "[ . 1 . 2]" 1
877 1 51 PHE HA 1 58 PHE QD 5.000 2.500 6.000 3.330 2.840 3.846 . 0 0 "[ . 1 . 2]" 1
878 1 51 PHE QB 1 58 PHE QE 3.500 . 4.500 3.088 2.513 3.802 . 0 0 "[ . 1 . 2]" 1
879 1 51 PHE QB 1 58 PHE HZ 5.000 2.500 6.000 3.018 2.517 3.867 . 0 0 "[ . 1 . 2]" 1
880 1 51 PHE QD 1 58 PHE HA 5.000 2.500 6.000 3.920 3.309 4.474 . 0 0 "[ . 1 . 2]" 1
881 1 51 PHE QD 1 58 PHE QD 3.500 . 4.500 3.168 2.507 3.884 . 0 0 "[ . 1 . 2]" 1
882 1 51 PHE QD 1 58 PHE QE 3.500 . 4.500 2.687 2.349 3.452 . 0 0 "[ . 1 . 2]" 1
883 1 51 PHE QD 1 58 PHE HZ 5.000 2.500 6.000 3.465 2.927 4.095 . 0 0 "[ . 1 . 2]" 1
884 1 51 PHE H 1 58 PHE QD 5.000 2.500 6.000 4.067 3.339 4.945 . 0 0 "[ . 1 . 2]" 1
885 1 51 PHE H 1 58 PHE QE 3.500 . 4.500 3.397 2.431 4.316 . 0 0 "[ . 1 . 2]" 1
886 1 52 CYS H 1 52 CYS HB3 3.500 . 4.500 2.490 2.394 2.680 . 0 0 "[ . 1 . 2]" 1
887 1 52 CYS H 1 52 CYS HB2 3.500 . 4.500 2.867 2.622 3.235 . 0 0 "[ . 1 . 2]" 1
888 1 52 CYS HA 1 53 GLN H 2.500 . 3.500 2.185 2.156 2.229 . 0 0 "[ . 1 . 2]" 1
889 1 52 CYS H 1 53 GLN H 5.000 2.500 6.000 4.168 3.817 4.304 . 0 0 "[ . 1 . 2]" 1
890 1 52 CYS HA 1 54 GLN H 5.000 2.500 6.000 3.426 3.345 3.533 . 0 0 "[ . 1 . 2]" 1
891 1 52 CYS QB 1 55 CYS HB2 3.500 . 4.500 3.394 3.190 3.654 . 0 0 "[ . 1 . 2]" 1
892 1 52 CYS QB 1 55 CYS H 5.000 2.500 6.000 3.292 3.192 3.442 . 0 0 "[ . 1 . 2]" 1
893 1 52 CYS QB 1 56 SER H 3.500 . 4.500 4.270 3.707 4.515 0.015 16 0 "[ . 1 . 2]" 1
894 1 52 CYS H 1 56 SER H 5.000 2.500 6.000 5.330 4.529 5.747 . 0 0 "[ . 1 . 2]" 1
895 1 52 CYS QB 1 57 ARG H 5.000 2.500 6.000 3.131 2.892 3.346 . 0 0 "[ . 1 . 2]" 1
896 1 52 CYS H 1 57 ARG H 3.500 . 4.500 4.046 3.691 4.438 . 0 0 "[ . 1 . 2]" 1
897 1 52 CYS QB 1 58 PHE HA 3.500 . 4.500 3.599 3.261 4.053 . 0 0 "[ . 1 . 2]" 1
898 1 52 CYS H 1 58 PHE HA 3.500 . 4.500 2.629 2.280 3.503 . 0 0 "[ . 1 . 2]" 1
899 1 52 CYS HA 1 59 HIS HD2 5.000 2.500 6.000 4.630 4.440 4.850 . 0 0 "[ . 1 . 2]" 1
900 1 52 CYS QB 1 59 HIS HD2 2.500 . 3.500 2.362 2.168 2.591 . 0 0 "[ . 1 . 2]" 1
901 1 52 CYS QB 1 59 HIS H 5.000 2.500 6.000 3.673 3.104 3.965 . 0 0 "[ . 1 . 2]" 1
902 1 52 CYS H 1 59 HIS HD2 5.000 2.500 6.000 5.070 4.651 5.517 . 0 0 "[ . 1 . 2]" 1
903 1 52 CYS HA 1 64 PHE QE 3.500 . 4.500 3.426 2.619 4.467 . 0 0 "[ . 1 . 2]" 1
904 1 52 CYS HB3 1 64 PHE QE 3.500 . 4.500 4.472 4.306 4.524 0.024 9 0 "[ . 1 . 2]" 1
905 1 52 CYS HB2 1 64 PHE QE 3.500 . 4.500 2.914 2.638 3.127 . 0 0 "[ . 1 . 2]" 1
906 1 52 CYS H 1 64 PHE QE 5.000 2.500 6.000 4.789 3.666 5.365 . 0 0 "[ . 1 . 2]" 1
907 1 52 CYS HA 1 70 SER HA 3.500 . 4.500 3.899 3.301 4.411 . 0 0 "[ . 1 . 2]" 1
908 1 53 GLN HA 1 53 GLN QB 2.000 . 2.800 2.416 2.174 2.531 . 0 0 "[ . 1 . 2]" 1
909 1 53 GLN HA 1 53 GLN HG3 3.500 . 4.500 3.040 2.107 3.631 . 0 0 "[ . 1 . 2]" 1
910 1 53 GLN HA 1 53 GLN HG2 3.500 . 4.500 2.778 2.096 3.912 . 0 0 "[ . 1 . 2]" 1
911 1 53 GLN QB 1 53 GLN QE 5.000 2.500 6.000 3.104 2.466 3.623 0.034 10 0 "[ . 1 . 2]" 1
912 1 53 GLN QB 1 53 GLN HG3 2.500 . 3.500 2.300 2.129 2.521 . 0 0 "[ . 1 . 2]" 1
913 1 53 GLN QB 1 53 GLN HG2 2.500 . 3.500 2.359 2.128 2.528 . 0 0 "[ . 1 . 2]" 1
914 1 53 GLN H 1 53 GLN QB 2.500 . 3.500 2.279 2.033 2.685 . 0 0 "[ . 1 . 2]" 1
915 1 53 GLN QE 1 53 GLN QG 3.500 . 4.500 2.317 2.225 2.502 . 0 0 "[ . 1 . 2]" 1
916 1 53 GLN QE 1 53 GLN HG3 5.000 2.500 6.000 2.662 2.451 3.361 0.049 12 0 "[ . 1 . 2]" 1
917 1 53 GLN QE 1 53 GLN HG2 5.000 2.500 6.000 2.717 2.450 3.361 0.050 11 0 "[ . 1 . 2]" 1
918 1 53 GLN H 1 53 GLN HG3 3.500 . 4.500 3.424 2.167 4.422 . 0 0 "[ . 1 . 2]" 1
919 1 53 GLN H 1 53 GLN HG2 3.500 . 4.500 3.692 2.208 4.534 0.034 1 0 "[ . 1 . 2]" 1
920 1 53 GLN QB 1 54 GLN HA 5.000 2.500 6.000 3.975 3.832 4.262 . 0 0 "[ . 1 . 2]" 1
921 1 53 GLN QB 1 54 GLN H 2.500 . 3.500 3.037 2.856 3.508 0.008 2 0 "[ . 1 . 2]" 1
922 1 53 GLN H 1 54 GLN H 3.500 . 4.500 2.625 2.530 2.729 . 0 0 "[ . 1 . 2]" 1
923 1 53 GLN H 1 55 CYS H 5.000 2.500 6.000 4.510 4.251 4.823 . 0 0 "[ . 1 . 2]" 1
924 1 53 GLN HA 1 56 SER HA 5.000 2.500 6.000 2.882 2.748 3.138 . 0 0 "[ . 1 . 2]" 1
925 1 53 GLN HA 1 56 SER H 5.000 2.500 6.000 3.058 2.830 3.230 . 0 0 "[ . 1 . 2]" 1
926 1 53 GLN QB 1 70 SER HA 5.000 2.500 6.000 5.166 4.864 5.947 . 0 0 "[ . 1 . 2]" 1
927 1 53 GLN H 1 70 SER HA 3.500 . 4.500 4.403 4.030 4.506 0.006 1 0 "[ . 1 . 2]" 1
928 1 54 GLN HA 1 54 GLN HB3 2.500 . 3.500 2.854 2.751 2.907 . 0 0 "[ . 1 . 2]" 1
929 1 54 GLN HA 1 54 GLN HB2 2.500 . 3.500 2.842 2.786 2.932 . 0 0 "[ . 1 . 2]" 1
930 1 54 GLN HA 1 54 GLN QG 2.500 . 3.500 2.108 2.022 2.238 . 0 0 "[ . 1 . 2]" 1
931 1 54 GLN HB3 1 54 GLN QG 2.500 . 3.500 2.461 2.327 2.522 . 0 0 "[ . 1 . 2]" 1
932 1 54 GLN H 1 54 GLN HB3 2.500 . 3.500 3.266 3.177 3.427 . 0 0 "[ . 1 . 2]" 1
933 1 54 GLN HB2 1 54 GLN QG 2.500 . 3.500 2.192 2.127 2.355 . 0 0 "[ . 1 . 2]" 1
934 1 54 GLN H 1 54 GLN HB2 2.500 . 3.500 2.071 2.056 2.113 . 0 0 "[ . 1 . 2]" 1
935 1 54 GLN QE 1 54 GLN QG 2.500 . 3.500 2.369 2.139 2.537 . 0 0 "[ . 1 . 2]" 1
936 1 54 GLN H 1 54 GLN QG 2.500 . 3.500 3.378 3.065 3.510 0.010 15 0 "[ . 1 . 2]" 1
937 1 54 GLN HA 1 55 CYS H 5.000 2.500 6.000 3.542 3.500 3.569 . 0 0 "[ . 1 . 2]" 1
938 1 54 GLN HB3 1 55 CYS H 3.500 . 4.500 2.894 2.585 3.159 . 0 0 "[ . 1 . 2]" 1
939 1 54 GLN HB2 1 55 CYS H 3.500 . 4.500 3.167 2.967 3.456 . 0 0 "[ . 1 . 2]" 1
940 1 54 GLN QG 1 55 CYS H 3.500 . 4.500 4.434 4.268 4.505 0.005 15 0 "[ . 1 . 2]" 1
941 1 54 GLN H 1 55 CYS H 2.500 . 3.500 2.743 2.546 2.847 . 0 0 "[ . 1 . 2]" 1
942 1 54 GLN HA 1 56 SER H 5.000 2.500 6.000 4.225 4.087 4.457 . 0 0 "[ . 1 . 2]" 1
943 1 54 GLN H 1 56 SER H 5.000 2.500 6.000 3.727 3.501 3.848 . 0 0 "[ . 1 . 2]" 1
944 1 54 GLN QB 1 70 SER HA 5.000 2.500 6.000 3.941 2.812 4.385 . 0 0 "[ . 1 . 2]" 1
945 1 54 GLN QB 1 70 SER HB2 3.500 . 4.500 4.451 4.208 4.511 0.011 15 0 "[ . 1 . 2]" 1
946 1 54 GLN QG 1 70 SER HA 5.000 2.500 6.000 4.542 3.459 5.080 . 0 0 "[ . 1 . 2]" 1
947 1 54 GLN QG 1 70 SER HB3 3.500 . 4.500 2.810 2.152 3.551 . 0 0 "[ . 1 . 2]" 1
948 1 54 GLN QG 1 70 SER HB2 3.500 . 4.500 3.744 3.291 4.389 . 0 0 "[ . 1 . 2]" 1
949 1 54 GLN H 1 70 SER HA 3.500 . 4.500 4.314 3.394 4.513 0.013 10 0 "[ . 1 . 2]" 1
950 1 54 GLN QB 1 71 CYS H 3.500 . 4.500 3.179 2.339 4.445 . 0 0 "[ . 1 . 2]" 1
951 1 54 GLN QG 1 71 CYS H 5.000 2.500 6.000 3.682 2.592 4.997 . 0 0 "[ . 1 . 2]" 1
952 1 54 GLN H 1 71 CYS H 5.000 2.500 6.000 4.625 3.801 6.005 0.005 13 0 "[ . 1 . 2]" 1
953 1 54 GLN QE 1 73 ARG HB2 3.500 . 4.500 4.092 2.998 4.500 . 0 0 "[ . 1 . 2]" 1
954 1 54 GLN QE 1 73 ARG H 5.000 2.500 6.000 3.429 2.591 4.522 . 0 0 "[ . 1 . 2]" 1
955 1 54 GLN QE 1 75 LEU QD 5.000 2.500 6.000 3.909 2.874 5.099 . 0 0 "[ . 1 . 2]" 1
956 1 55 CYS HA 1 55 CYS HB3 2.500 . 3.500 2.378 2.332 2.404 . 0 0 "[ . 1 . 2]" 1
957 1 55 CYS H 1 55 CYS HB3 3.500 . 4.500 3.771 3.729 3.822 . 0 0 "[ . 1 . 2]" 1
958 1 55 CYS H 1 55 CYS HB2 3.500 . 4.500 2.744 2.662 2.868 . 0 0 "[ . 1 . 2]" 1
959 1 55 CYS HA 1 56 SER H 3.500 . 4.500 3.170 3.046 3.319 . 0 0 "[ . 1 . 2]" 1
960 1 55 CYS HB2 1 56 SER H 5.000 2.500 6.000 3.761 3.493 3.949 . 0 0 "[ . 1 . 2]" 1
961 1 55 CYS H 1 56 SER HA 5.000 2.500 6.000 4.355 4.208 4.452 . 0 0 "[ . 1 . 2]" 1
962 1 55 CYS H 1 56 SER H 2.500 . 3.500 2.262 1.997 2.487 . 0 0 "[ . 1 . 2]" 1
963 1 55 CYS HA 1 57 ARG H 5.000 2.500 6.000 4.214 4.116 4.306 . 0 0 "[ . 1 . 2]" 1
964 1 55 CYS HB3 1 57 ARG QD 3.500 . 4.500 3.117 1.996 4.507 0.007 19 0 "[ . 1 . 2]" 1
965 1 55 CYS HB3 1 57 ARG HG3 3.500 . 4.500 3.481 2.583 4.505 0.005 2 0 "[ . 1 . 2]" 1
966 1 55 CYS HB3 1 57 ARG HG2 3.500 . 4.500 3.049 2.327 4.510 0.010 11 0 "[ . 1 . 2]" 1
967 1 55 CYS HB3 1 57 ARG H 5.000 2.500 6.000 3.891 3.636 4.175 . 0 0 "[ . 1 . 2]" 1
968 1 55 CYS HB2 1 57 ARG QG 3.500 . 4.500 2.240 1.971 3.081 0.029 10 0 "[ . 1 . 2]" 1
969 1 55 CYS H 1 57 ARG H 5.000 2.500 6.000 3.350 3.255 3.558 . 0 0 "[ . 1 . 2]" 1
970 1 55 CYS HB3 1 59 HIS HE1 3.500 . 4.500 4.430 4.317 4.503 0.003 9 0 "[ . 1 . 2]" 1
971 1 55 CYS HB2 1 59 HIS HE1 3.500 . 4.500 3.730 3.348 4.013 . 0 0 "[ . 1 . 2]" 1
972 1 55 CYS HA 1 71 CYS QB 5.000 2.500 6.000 5.898 5.717 6.019 0.019 19 0 "[ . 1 . 2]" 1
973 1 56 SER H 1 56 SER HA 2.500 . 3.500 2.275 2.269 2.286 . 0 0 "[ . 1 . 2]" 1
974 1 56 SER H 1 56 SER HB3 5.000 2.500 6.000 3.709 3.580 3.880 . 0 0 "[ . 1 . 2]" 1
975 1 56 SER H 1 56 SER HB2 5.000 2.500 6.000 3.018 2.893 3.187 . 0 0 "[ . 1 . 2]" 1
976 1 56 SER HA 1 57 ARG HA 5.000 2.500 6.000 4.490 4.414 4.629 . 0 0 "[ . 1 . 2]" 1
977 1 56 SER HA 1 57 ARG H 3.500 . 4.500 3.134 3.003 3.307 . 0 0 "[ . 1 . 2]" 1
978 1 56 SER HB2 1 57 ARG H 3.500 . 4.500 4.404 4.172 4.503 0.003 2 0 "[ . 1 . 2]" 1
979 1 56 SER H 1 57 ARG H 3.500 . 4.500 2.810 2.734 2.899 . 0 0 "[ . 1 . 2]" 1
980 1 57 ARG HA 1 57 ARG HB3 2.500 . 3.500 2.406 2.364 2.508 . 0 0 "[ . 1 . 2]" 1
981 1 57 ARG HA 1 57 ARG HB2 2.500 . 3.500 2.672 2.392 3.024 . 0 0 "[ . 1 . 2]" 1
982 1 57 ARG HA 1 57 ARG QG 3.500 . 4.500 3.099 2.477 3.350 . 0 0 "[ . 1 . 2]" 1
983 1 57 ARG QB 1 57 ARG QG 3.500 . 4.500 2.063 2.018 2.085 . 0 0 "[ . 1 . 2]" 1
984 1 57 ARG QB 1 57 ARG HG3 3.500 . 4.500 2.329 2.130 2.496 . 0 0 "[ . 1 . 2]" 1
985 1 57 ARG QB 1 57 ARG HG2 3.500 . 4.500 2.343 2.181 2.523 . 0 0 "[ . 1 . 2]" 1
986 1 57 ARG H 1 57 ARG HB3 5.000 2.500 6.000 3.414 3.108 3.733 . 0 0 "[ . 1 . 2]" 1
987 1 57 ARG QD 1 57 ARG HG3 2.500 . 3.500 2.305 2.140 2.513 . 0 0 "[ . 1 . 2]" 1
988 1 57 ARG QD 1 57 ARG HG2 2.500 . 3.500 2.285 2.139 2.524 . 0 0 "[ . 1 . 2]" 1
989 1 57 ARG H 1 57 ARG HB2 5.000 2.500 6.000 3.402 2.529 3.886 . 0 0 "[ . 1 . 2]" 1
990 1 57 ARG H 1 57 ARG QG 3.500 . 4.500 2.313 2.063 2.735 . 0 0 "[ . 1 . 2]" 1
991 1 57 ARG HA 1 58 PHE QD 5.000 2.500 6.000 3.729 3.094 4.395 . 0 0 "[ . 1 . 2]" 1
992 1 57 ARG HA 1 58 PHE H 2.500 . 3.500 2.610 2.469 2.714 . 0 0 "[ . 1 . 2]" 1
993 1 57 ARG HB3 1 58 PHE H 3.500 . 4.500 3.018 1.995 3.670 0.005 4 0 "[ . 1 . 2]" 1
994 1 57 ARG HB2 1 58 PHE H 3.500 . 4.500 2.384 2.008 3.121 . 0 0 "[ . 1 . 2]" 1
995 1 57 ARG HG3 1 58 PHE H 5.000 2.500 6.000 3.886 2.822 4.720 . 0 0 "[ . 1 . 2]" 1
996 1 57 ARG HG2 1 58 PHE H 5.000 2.500 6.000 4.432 3.682 4.819 . 0 0 "[ . 1 . 2]" 1
997 1 57 ARG H 1 58 PHE H 5.000 2.500 6.000 4.418 4.367 4.465 . 0 0 "[ . 1 . 2]" 1
998 1 57 ARG QB 1 59 HIS HE1 3.500 . 4.500 3.602 2.051 4.506 0.006 12 0 "[ . 1 . 2]" 1
999 1 57 ARG QD 1 59 HIS HE1 3.500 . 4.500 2.727 1.998 4.507 0.007 1 0 "[ . 1 . 2]" 1
1000 1 57 ARG HG3 1 59 HIS HE1 3.500 . 4.500 3.168 2.553 4.506 0.006 4 0 "[ . 1 . 2]" 1
1001 1 57 ARG HG2 1 59 HIS HE1 3.500 . 4.500 4.078 3.261 4.507 0.007 20 0 "[ . 1 . 2]" 1
1002 1 58 PHE H 1 58 PHE QB 2.500 . 3.500 2.264 2.152 2.376 . 0 0 "[ . 1 . 2]" 1
1003 1 58 PHE HB3 1 58 PHE QD 2.500 . 3.500 2.375 2.265 2.533 . 0 0 "[ . 1 . 2]" 1
1004 1 58 PHE HB2 1 58 PHE QD 2.500 . 3.500 2.415 2.284 2.640 . 0 0 "[ . 1 . 2]" 1
1005 1 58 PHE H 1 58 PHE QD 2.500 . 3.500 3.084 2.381 3.502 0.002 20 0 "[ . 1 . 2]" 1
1006 1 58 PHE H 1 58 PHE QE 5.000 2.500 6.000 5.261 4.681 5.644 . 0 0 "[ . 1 . 2]" 1
1007 1 58 PHE HA 1 59 HIS H 2.500 . 3.500 2.271 2.142 2.376 . 0 0 "[ . 1 . 2]" 1
1008 1 58 PHE QB 1 59 HIS H 3.500 . 4.500 2.927 2.503 3.697 . 0 0 "[ . 1 . 2]" 1
1009 1 58 PHE QD 1 59 HIS H 3.500 . 4.500 3.386 2.820 4.091 . 0 0 "[ . 1 . 2]" 1
1010 1 58 PHE H 1 59 HIS H 5.000 2.500 6.000 4.473 4.109 4.601 . 0 0 "[ . 1 . 2]" 1
1011 1 59 HIS HA 1 59 HIS HB3 2.500 . 3.500 2.520 2.421 2.598 . 0 0 "[ . 1 . 2]" 1
1012 1 59 HIS H 1 59 HIS HB3 5.000 2.500 6.000 3.791 3.700 3.834 . 0 0 "[ . 1 . 2]" 1
1013 1 59 HIS HB2 1 59 HIS HD2 3.500 . 4.500 2.806 2.765 2.848 . 0 0 "[ . 1 . 2]" 1
1014 1 59 HIS H 1 59 HIS HB2 3.500 . 4.500 2.700 2.560 2.756 . 0 0 "[ . 1 . 2]" 1
1015 1 59 HIS HA 1 60 ASP HB2 5.000 2.500 6.000 4.421 4.249 4.562 . 0 0 "[ . 1 . 2]" 1
1016 1 59 HIS HA 1 60 ASP H 2.500 . 3.500 2.345 2.172 2.582 . 0 0 "[ . 1 . 2]" 1
1017 1 59 HIS HB3 1 60 ASP H 3.500 . 4.500 2.619 2.061 3.194 . 0 0 "[ . 1 . 2]" 1
1018 1 59 HIS HB2 1 60 ASP H 3.500 . 4.500 3.800 3.415 4.260 . 0 0 "[ . 1 . 2]" 1
1019 1 59 HIS H 1 60 ASP H 5.000 2.500 6.000 4.425 4.295 4.546 . 0 0 "[ . 1 . 2]" 1
1020 1 59 HIS HB3 1 63 GLU HB3 5.000 2.500 6.000 3.483 2.829 4.511 . 0 0 "[ . 1 . 2]" 1
1021 1 59 HIS HB2 1 63 GLU HB3 3.500 . 4.500 4.355 3.899 4.503 0.003 20 0 "[ . 1 . 2]" 1
1022 1 59 HIS HD2 1 63 GLU HB3 5.000 2.500 6.000 4.710 4.176 5.093 . 0 0 "[ . 1 . 2]" 1
1023 1 59 HIS HB2 1 64 PHE QE 5.000 2.500 6.000 2.642 2.493 2.960 0.007 16 0 "[ . 1 . 2]" 1
1024 1 59 HIS HD2 1 64 PHE QD 5.000 2.500 6.000 5.201 4.134 5.975 . 0 0 "[ . 1 . 2]" 1
1025 1 59 HIS HD2 1 64 PHE QE 3.500 . 4.500 3.557 2.424 4.251 . 0 0 "[ . 1 . 2]" 1
1026 1 59 HIS HD2 1 64 PHE HZ 5.000 2.500 6.000 3.742 2.973 5.685 . 0 0 "[ . 1 . 2]" 1
1027 1 59 HIS H 1 64 PHE QE 3.500 . 4.500 3.719 2.819 4.499 . 0 0 "[ . 1 . 2]" 1
1028 1 59 HIS HD2 1 71 CYS HA 5.000 2.500 6.000 3.781 3.412 4.086 . 0 0 "[ . 1 . 2]" 1
1029 1 59 HIS HD2 1 71 CYS QB 2.500 . 3.500 3.538 3.519 3.557 0.057 16 0 "[ . 1 . 2]" 1
1030 1 59 HIS HD2 1 71 CYS H 5.000 2.500 6.000 4.940 4.409 6.008 0.008 13 0 "[ . 1 . 2]" 1
1031 1 59 HIS HD2 1 72 ARG H 5.000 2.500 6.000 5.338 5.015 5.698 . 0 0 "[ . 1 . 2]" 1
1032 1 60 ASP H 1 60 ASP HB3 2.500 . 3.500 2.796 2.641 3.014 . 0 0 "[ . 1 . 2]" 1
1033 1 60 ASP H 1 60 ASP HB2 2.500 . 3.500 2.302 2.143 2.439 . 0 0 "[ . 1 . 2]" 1
1034 1 60 ASP HA 1 61 LEU H 2.500 . 3.500 2.338 2.217 2.432 . 0 0 "[ . 1 . 2]" 1
1035 1 60 ASP HB3 1 61 LEU H 5.000 2.500 6.000 3.482 3.103 3.860 . 0 0 "[ . 1 . 2]" 1
1036 1 60 ASP HB2 1 61 LEU H 5.000 2.500 6.000 4.022 3.863 4.175 . 0 0 "[ . 1 . 2]" 1
1037 1 60 ASP H 1 61 LEU H 5.000 2.500 6.000 4.634 4.606 4.644 . 0 0 "[ . 1 . 2]" 1
1038 1 60 ASP HA 1 62 GLN H 5.000 2.500 6.000 4.057 3.832 4.268 . 0 0 "[ . 1 . 2]" 1
1039 1 60 ASP HB3 1 62 GLN H 5.000 2.500 6.000 2.850 2.532 3.353 . 0 0 "[ . 1 . 2]" 1
1040 1 60 ASP HB2 1 62 GLN H 5.000 2.500 6.000 4.279 4.064 4.516 . 0 0 "[ . 1 . 2]" 1
1041 1 60 ASP HA 1 63 GLU H 5.000 2.500 6.000 4.982 4.569 6.008 0.008 7 0 "[ . 1 . 2]" 1
1042 1 60 ASP HB3 1 63 GLU HB3 5.000 2.500 6.000 5.072 4.410 6.001 0.001 18 0 "[ . 1 . 2]" 1
1043 1 60 ASP HB3 1 63 GLU QG 3.500 . 4.500 2.791 1.999 3.664 0.001 17 0 "[ . 1 . 2]" 1
1044 1 60 ASP HB3 1 63 GLU H 5.000 2.500 6.000 3.374 2.830 4.754 . 0 0 "[ . 1 . 2]" 1
1045 1 60 ASP H 1 63 GLU QG 3.500 . 4.500 3.251 2.159 4.484 . 0 0 "[ . 1 . 2]" 1
1046 1 61 LEU HA 1 61 LEU HB3 2.500 . 3.500 2.904 2.644 3.019 . 0 0 "[ . 1 . 2]" 1
1047 1 61 LEU HA 1 61 LEU QD 2.500 . 3.500 2.210 1.949 2.527 . 0 0 "[ . 1 . 2]" 1
1048 1 61 LEU HA 1 61 LEU HB2 2.500 . 3.500 2.728 2.442 2.981 . 0 0 "[ . 1 . 2]" 1
1049 1 61 LEU HA 1 61 LEU MD1 3.500 . 4.500 2.755 2.040 3.780 . 0 0 "[ . 1 . 2]" 1
1050 1 61 LEU HA 1 61 LEU MD2 3.500 . 4.500 3.201 2.014 3.927 . 0 0 "[ . 1 . 2]" 1
1051 1 61 LEU HA 1 61 LEU HG 2.500 . 3.500 2.703 2.393 3.578 0.078 12 0 "[ . 1 . 2]" 1
1052 1 61 LEU QB 1 61 LEU QD 2.500 . 3.500 1.895 1.769 2.040 . 0 0 "[ . 1 . 2]" 1
1053 1 61 LEU QB 1 61 LEU MD1 2.500 . 3.500 2.142 2.025 2.294 . 0 0 "[ . 1 . 2]" 1
1054 1 61 LEU QB 1 61 LEU MD2 2.500 . 3.500 2.134 1.951 2.370 . 0 0 "[ . 1 . 2]" 1
1055 1 61 LEU H 1 61 LEU QB 2.500 . 3.500 2.119 2.034 2.257 . 0 0 "[ . 1 . 2]" 1
1056 1 61 LEU HB3 1 61 LEU QD 2.000 . 2.800 2.139 1.983 2.342 . 0 0 "[ . 1 . 2]" 1
1057 1 61 LEU HB2 1 61 LEU QD 2.000 . 2.800 2.135 1.974 2.326 . 0 0 "[ . 1 . 2]" 1
1058 1 61 LEU H 1 61 LEU QD 3.500 . 4.500 3.416 2.796 3.729 . 0 0 "[ . 1 . 2]" 1
1059 1 61 LEU H 1 61 LEU MD1 5.000 2.500 6.000 3.757 3.184 4.231 . 0 0 "[ . 1 . 2]" 1
1060 1 61 LEU H 1 61 LEU MD2 5.000 2.500 6.000 4.096 2.837 4.324 . 0 0 "[ . 1 . 2]" 1
1061 1 61 LEU H 1 61 LEU HG 5.000 2.500 6.000 4.138 2.973 4.563 . 0 0 "[ . 1 . 2]" 1
1062 1 61 LEU HA 1 62 GLN H 3.500 . 4.500 3.460 3.372 3.503 . 0 0 "[ . 1 . 2]" 1
1063 1 61 LEU HB3 1 62 GLN H 3.500 . 4.500 3.184 2.776 3.775 . 0 0 "[ . 1 . 2]" 1
1064 1 61 LEU HB2 1 62 GLN H 3.500 . 4.500 3.630 3.099 4.090 . 0 0 "[ . 1 . 2]" 1
1065 1 61 LEU MD1 1 62 GLN H 5.000 2.500 6.000 4.858 4.445 5.170 . 0 0 "[ . 1 . 2]" 1
1066 1 61 LEU MD2 1 62 GLN H 5.000 2.500 6.000 4.626 4.215 5.168 . 0 0 "[ . 1 . 2]" 1
1067 1 61 LEU H 1 62 GLN H 3.500 . 4.500 2.576 2.448 2.691 . 0 0 "[ . 1 . 2]" 1
1068 1 61 LEU HA 1 63 GLU H 5.000 2.500 6.000 3.576 3.354 3.799 . 0 0 "[ . 1 . 2]" 1
1069 1 61 LEU H 1 63 GLU H 5.000 2.500 6.000 4.271 4.034 5.089 . 0 0 "[ . 1 . 2]" 1
1070 1 61 LEU HA 1 64 PHE QD 2.500 . 3.500 2.698 1.975 3.505 0.005 13 0 "[ . 1 . 2]" 1
1071 1 61 LEU HA 1 64 PHE QE 5.000 2.500 6.000 3.640 2.606 5.408 . 0 0 "[ . 1 . 2]" 1
1072 1 61 LEU HA 1 64 PHE H 5.000 2.500 6.000 4.002 3.024 5.201 . 0 0 "[ . 1 . 2]" 1
1073 1 62 GLN HA 1 62 GLN HB3 2.500 . 3.500 2.681 2.656 2.711 . 0 0 "[ . 1 . 2]" 1
1074 1 62 GLN HA 1 62 GLN HG3 3.500 . 4.500 2.731 2.094 3.628 . 0 0 "[ . 1 . 2]" 1
1075 1 62 GLN HA 1 62 GLN HG2 3.500 . 4.500 2.644 2.081 3.541 . 0 0 "[ . 1 . 2]" 1
1076 1 62 GLN H 1 62 GLN HA 2.500 . 3.500 2.862 2.760 2.910 . 0 0 "[ . 1 . 2]" 1
1077 1 62 GLN H 1 62 GLN HB3 2.500 . 3.500 3.484 3.460 3.503 0.003 18 0 "[ . 1 . 2]" 1
1078 1 62 GLN H 1 62 GLN HB2 2.500 . 3.500 2.193 2.153 2.223 . 0 0 "[ . 1 . 2]" 1
1079 1 62 GLN QE 1 62 GLN QG 5.000 2.500 6.000 2.513 2.496 2.601 0.004 10 0 "[ . 1 . 2]" 1
1080 1 62 GLN QE 1 62 GLN HG3 5.000 2.500 6.000 3.081 2.576 3.351 . 0 0 "[ . 1 . 2]" 1
1081 1 62 GLN QE 1 62 GLN HG2 5.000 2.500 6.000 2.863 2.576 3.349 . 0 0 "[ . 1 . 2]" 1
1082 1 62 GLN H 1 62 GLN HG3 3.500 . 4.500 3.378 2.993 4.032 . 0 0 "[ . 1 . 2]" 1
1083 1 62 GLN H 1 62 GLN HG2 3.500 . 4.500 3.986 2.908 4.498 . 0 0 "[ . 1 . 2]" 1
1084 1 62 GLN HA 1 63 GLU H 3.500 . 4.500 3.226 2.674 3.467 . 0 0 "[ . 1 . 2]" 1
1085 1 62 GLN HB3 1 63 GLU H 5.000 2.500 6.000 3.987 3.572 4.343 . 0 0 "[ . 1 . 2]" 1
1086 1 62 GLN H 1 63 GLU H 3.500 . 4.500 2.724 2.575 3.343 . 0 0 "[ . 1 . 2]" 1
1087 1 62 GLN HA 1 64 PHE H 3.500 . 4.500 3.922 3.370 4.497 . 0 0 "[ . 1 . 2]" 1
1088 1 63 GLU HA 1 63 GLU HB3 2.500 . 3.500 2.597 2.381 2.683 . 0 0 "[ . 1 . 2]" 1
1089 1 63 GLU HA 1 63 GLU QG 2.500 . 3.500 2.328 2.131 2.688 . 0 0 "[ . 1 . 2]" 1
1090 1 63 GLU HA 1 63 GLU HG3 3.500 . 4.500 3.305 2.528 3.731 . 0 0 "[ . 1 . 2]" 1
1091 1 63 GLU HA 1 63 GLU HG2 3.500 . 4.500 2.418 2.160 2.756 . 0 0 "[ . 1 . 2]" 1
1092 1 63 GLU HB3 1 63 GLU QG 2.500 . 3.500 2.432 2.221 2.523 . 0 0 "[ . 1 . 2]" 1
1093 1 63 GLU H 1 63 GLU HB3 3.500 . 4.500 3.593 3.474 3.850 . 0 0 "[ . 1 . 2]" 1
1094 1 63 GLU H 1 63 GLU HB2 3.500 . 4.500 2.384 2.177 2.848 . 0 0 "[ . 1 . 2]" 1
1095 1 63 GLU H 1 63 GLU HG3 3.500 . 4.500 3.432 2.470 4.506 0.006 16 0 "[ . 1 . 2]" 1
1096 1 63 GLU H 1 63 GLU HG2 3.500 . 4.500 3.580 2.621 4.416 . 0 0 "[ . 1 . 2]" 1
1097 1 63 GLU HA 1 64 PHE H 3.500 . 4.500 3.298 2.879 3.538 . 0 0 "[ . 1 . 2]" 1
1098 1 63 GLU HB3 1 64 PHE H 5.000 2.500 6.000 3.880 3.434 4.405 . 0 0 "[ . 1 . 2]" 1
1099 1 63 GLU H 1 64 PHE QD 5.000 2.500 6.000 3.469 2.495 4.442 0.005 9 0 "[ . 1 . 2]" 1
1100 1 63 GLU H 1 64 PHE H 3.500 . 4.500 2.376 1.995 2.927 0.005 7 0 "[ . 1 . 2]" 1
1101 1 64 PHE HA 1 64 PHE QB 3.500 . 4.500 2.337 2.163 2.518 . 0 0 "[ . 1 . 2]" 1
1102 1 64 PHE H 1 64 PHE HA 5.000 2.500 6.000 2.903 2.823 2.937 . 0 0 "[ . 1 . 2]" 1
1103 1 64 PHE QB 1 64 PHE QD 3.500 . 4.500 2.130 2.123 2.177 . 0 0 "[ . 1 . 2]" 1
1104 1 64 PHE H 1 64 PHE QB 3.500 . 4.500 2.675 2.106 3.317 . 0 0 "[ . 1 . 2]" 1
1105 1 64 PHE H 1 64 PHE QD 3.500 . 4.500 2.774 2.049 3.570 . 0 0 "[ . 1 . 2]" 1
1106 1 64 PHE QB 1 65 ASP H 5.000 2.500 6.000 3.136 2.489 3.912 0.011 10 0 "[ . 1 . 2]" 1
1107 1 64 PHE QB 1 69 ARG HA 5.000 2.500 6.000 3.793 2.675 5.808 . 0 0 "[ . 1 . 2]" 1
1108 1 65 ASP HA 1 65 ASP QB 2.500 . 3.500 2.465 2.182 2.540 . 0 0 "[ . 1 . 2]" 1
1109 1 65 ASP HA 1 65 ASP HB2 5.000 2.500 6.000 2.754 2.495 3.026 0.005 14 0 "[ . 1 . 2]" 1
1110 1 65 ASP H 1 65 ASP HB3 3.500 . 4.500 3.292 2.724 3.850 . 0 0 "[ . 1 . 2]" 1
1111 1 65 ASP H 1 65 ASP HB2 3.500 . 4.500 2.713 2.084 4.028 . 0 0 "[ . 1 . 2]" 1
1112 1 65 ASP HA 1 66 GLU H 2.500 . 3.500 2.603 2.146 3.523 0.023 10 0 "[ . 1 . 2]" 1
1113 1 65 ASP QB 1 66 GLU H 5.000 2.500 6.000 2.974 2.511 3.840 . 0 0 "[ . 1 . 2]" 1
1114 1 65 ASP H 1 68 LYS HB2 5.000 2.500 6.000 4.550 2.886 6.005 0.005 20 0 "[ . 1 . 2]" 1
1115 1 66 GLU HA 1 66 GLU HB3 2.500 . 3.500 2.664 2.375 2.933 . 0 0 "[ . 1 . 2]" 1
1116 1 66 GLU HA 1 66 GLU HB2 2.500 . 3.500 2.951 2.748 3.024 . 0 0 "[ . 1 . 2]" 1
1117 1 66 GLU HA 1 66 GLU HG3 2.500 . 3.500 2.815 2.053 3.453 . 0 0 "[ . 1 . 2]" 1
1118 1 66 GLU HA 1 66 GLU HG2 2.500 . 3.500 2.587 2.067 3.451 . 0 0 "[ . 1 . 2]" 1
1119 1 66 GLU H 1 66 GLU HA 2.500 . 3.500 2.578 2.269 2.945 . 0 0 "[ . 1 . 2]" 1
1120 1 66 GLU QB 1 66 GLU QG 2.000 . 2.800 2.055 2.018 2.086 . 0 0 "[ . 1 . 2]" 1
1121 1 66 GLU H 1 66 GLU HB3 3.500 . 4.500 3.740 3.132 4.098 . 0 0 "[ . 1 . 2]" 1
1122 1 66 GLU H 1 66 GLU HB2 3.500 . 4.500 2.842 2.084 3.700 . 0 0 "[ . 1 . 2]" 1
1123 1 66 GLU H 1 66 GLU QG 3.500 . 4.500 3.122 2.121 4.176 . 0 0 "[ . 1 . 2]" 1
1124 1 66 GLU HA 1 67 ALA MB 5.000 2.500 6.000 4.441 4.049 5.026 . 0 0 "[ . 1 . 2]" 1
1125 1 66 GLU HA 1 67 ALA H 2.500 . 3.500 3.095 2.543 3.547 0.047 11 0 "[ . 1 . 2]" 1
1126 1 66 GLU HB3 1 67 ALA H 2.500 . 3.500 2.407 1.955 3.478 . 0 0 "[ . 1 . 2]" 1
1127 1 66 GLU HB2 1 67 ALA H 2.500 . 3.500 3.033 1.993 3.508 0.008 9 0 "[ . 1 . 2]" 1
1128 1 66 GLU QG 1 67 ALA H 3.500 . 4.500 3.817 2.161 4.469 . 0 0 "[ . 1 . 2]" 1
1129 1 66 GLU H 1 67 ALA H 5.000 2.500 6.000 3.819 2.500 4.641 . 0 0 "[ . 1 . 2]" 1
1130 1 66 GLU QB 1 68 LYS H 5.000 2.500 6.000 3.810 2.508 5.704 . 0 0 "[ . 1 . 2]" 1
1131 1 67 ALA HA 1 67 ALA MB 2.000 . 2.800 2.107 2.091 2.127 . 0 0 "[ . 1 . 2]" 1
1132 1 67 ALA H 1 67 ALA MB 2.500 . 3.500 2.358 2.096 2.925 . 0 0 "[ . 1 . 2]" 1
1133 1 67 ALA HA 1 68 LYS H 5.000 2.500 6.000 3.168 2.499 3.571 0.001 8 0 "[ . 1 . 2]" 1
1134 1 67 ALA MB 1 68 LYS H 3.500 . 4.500 2.986 2.037 3.719 . 0 0 "[ . 1 . 2]" 1
1135 1 67 ALA H 1 68 LYS H 3.500 . 4.500 2.893 2.030 4.390 . 0 0 "[ . 1 . 2]" 1
1136 1 68 LYS HA 1 68 LYS QG 2.500 . 3.500 2.466 2.162 2.865 . 0 0 "[ . 1 . 2]" 1
1137 1 68 LYS HB3 1 68 LYS QD 3.500 . 4.500 2.560 2.009 3.184 . 0 0 "[ . 1 . 2]" 1
1138 1 68 LYS HB3 1 68 LYS QG 2.500 . 3.500 2.306 2.133 2.504 . 0 0 "[ . 1 . 2]" 1
1139 1 68 LYS H 1 68 LYS HB3 3.500 . 4.500 3.685 3.522 4.084 . 0 0 "[ . 1 . 2]" 1
1140 1 68 LYS HB2 1 68 LYS QD 3.500 . 4.500 2.519 2.059 3.271 . 0 0 "[ . 1 . 2]" 1
1141 1 68 LYS H 1 68 LYS HB2 3.500 . 4.500 2.589 2.228 3.656 . 0 0 "[ . 1 . 2]" 1
1142 1 68 LYS H 1 68 LYS QD 3.500 . 4.500 3.656 2.000 4.503 0.003 20 0 "[ . 1 . 2]" 1
1143 1 68 LYS QE 1 68 LYS QG 3.500 . 4.500 2.168 2.036 2.403 . 0 0 "[ . 1 . 2]" 1
1144 1 68 LYS H 1 68 LYS HG3 3.500 . 4.500 3.098 2.221 4.192 . 0 0 "[ . 1 . 2]" 1
1145 1 68 LYS H 1 68 LYS HG2 3.500 . 4.500 3.591 2.157 4.457 . 0 0 "[ . 1 . 2]" 1
1146 1 68 LYS HA 1 69 ARG H 2.500 . 3.500 2.231 2.140 2.463 . 0 0 "[ . 1 . 2]" 1
1147 1 68 LYS HB3 1 69 ARG H 3.500 . 4.500 3.193 2.294 4.055 . 0 0 "[ . 1 . 2]" 1
1148 1 68 LYS HB2 1 69 ARG H 5.000 2.500 6.000 4.131 3.554 4.523 . 0 0 "[ . 1 . 2]" 1
1149 1 68 LYS QG 1 69 ARG H 5.000 2.500 6.000 4.144 3.538 4.688 . 0 0 "[ . 1 . 2]" 1
1150 1 68 LYS H 1 69 ARG H 5.000 2.500 6.000 4.350 3.475 4.637 . 0 0 "[ . 1 . 2]" 1
1151 1 68 LYS HA 1 70 SER H 3.500 . 4.500 4.028 3.434 4.503 0.003 11 0 "[ . 1 . 2]" 1
1152 1 68 LYS HB3 1 70 SER H 3.500 . 4.500 2.928 2.373 3.353 . 0 0 "[ . 1 . 2]" 1
1153 1 68 LYS HB2 1 70 SER H 3.500 . 4.500 3.846 3.314 4.416 . 0 0 "[ . 1 . 2]" 1
1154 1 68 LYS QG 1 70 SER H 5.000 2.500 6.000 4.757 4.271 5.169 . 0 0 "[ . 1 . 2]" 1
1155 1 69 ARG HA 1 69 ARG QB 2.000 . 2.800 2.380 2.177 2.540 . 0 0 "[ . 1 . 2]" 1
1156 1 69 ARG H 1 69 ARG HB3 3.500 . 4.500 3.332 2.706 3.915 . 0 0 "[ . 1 . 2]" 1
1157 1 69 ARG H 1 69 ARG HB2 3.500 . 4.500 2.820 2.157 3.728 . 0 0 "[ . 1 . 2]" 1
1158 1 69 ARG HA 1 70 SER HA 5.000 2.500 6.000 4.391 4.304 4.901 . 0 0 "[ . 1 . 2]" 1
1159 1 69 ARG HA 1 70 SER H 3.500 . 4.500 2.808 2.616 2.980 . 0 0 "[ . 1 . 2]" 1
1160 1 69 ARG QB 1 70 SER H 5.000 2.500 6.000 3.890 3.762 4.033 . 0 0 "[ . 1 . 2]" 1
1161 1 69 ARG H 1 70 SER H 3.500 . 4.500 2.849 2.224 3.448 . 0 0 "[ . 1 . 2]" 1
1162 1 70 SER HA 1 70 SER HB3 2.500 . 3.500 2.398 2.271 2.741 . 0 0 "[ . 1 . 2]" 1
1163 1 70 SER H 1 70 SER QB 3.500 . 4.500 2.994 2.721 3.419 . 0 0 "[ . 1 . 2]" 1
1164 1 70 SER H 1 70 SER HB2 3.500 . 4.500 3.112 2.784 3.727 . 0 0 "[ . 1 . 2]" 1
1165 1 70 SER HA 1 71 CYS HA 5.000 2.500 6.000 4.458 4.294 4.878 . 0 0 "[ . 1 . 2]" 1
1166 1 70 SER HA 1 71 CYS H 2.500 . 3.500 2.747 2.361 3.552 0.052 7 0 "[ . 1 . 2]" 1
1167 1 70 SER HB3 1 71 CYS H 3.500 . 4.500 2.836 2.165 4.530 0.030 15 0 "[ . 1 . 2]" 1
1168 1 70 SER QB 1 75 LEU MD1 3.500 . 4.500 2.946 2.041 3.432 . 0 0 "[ . 1 . 2]" 1
1169 1 70 SER QB 1 75 LEU MD2 3.500 . 4.500 2.538 1.998 3.299 0.002 6 0 "[ . 1 . 2]" 1
1170 1 70 SER HB3 1 75 LEU HB2 3.500 . 4.500 4.304 3.465 4.506 0.006 6 0 "[ . 1 . 2]" 1
1171 1 70 SER HB3 1 75 LEU MD1 3.500 . 4.500 3.880 2.655 4.526 0.026 5 0 "[ . 1 . 2]" 1
1172 1 70 SER HB3 1 75 LEU MD2 3.500 . 4.500 3.452 2.610 4.209 . 0 0 "[ . 1 . 2]" 1
1173 1 70 SER HB2 1 75 LEU HB2 3.500 . 4.500 3.685 3.119 4.273 . 0 0 "[ . 1 . 2]" 1
1174 1 70 SER HB2 1 75 LEU MD1 3.500 . 4.500 3.059 2.088 3.610 . 0 0 "[ . 1 . 2]" 1
1175 1 70 SER HB2 1 75 LEU MD2 3.500 . 4.500 2.698 2.010 3.671 . 0 0 "[ . 1 . 2]" 1
1176 1 71 CYS H 1 71 CYS HB3 3.500 . 4.500 3.239 2.820 3.944 . 0 0 "[ . 1 . 2]" 1
1177 1 71 CYS H 1 71 CYS HB2 3.500 . 4.500 2.489 2.076 3.219 . 0 0 "[ . 1 . 2]" 1
1178 1 71 CYS HA 1 72 ARG H 2.500 . 3.500 2.538 2.207 2.727 . 0 0 "[ . 1 . 2]" 1
1179 1 71 CYS HB3 1 72 ARG H 3.500 . 4.500 2.820 2.425 3.666 . 0 0 "[ . 1 . 2]" 1
1180 1 71 CYS HB2 1 72 ARG H 3.500 . 4.500 3.859 3.638 4.311 . 0 0 "[ . 1 . 2]" 1
1181 1 71 CYS H 1 72 ARG H 5.000 2.500 6.000 4.539 4.347 4.646 . 0 0 "[ . 1 . 2]" 1
1182 1 71 CYS HB3 1 73 ARG H 5.000 2.500 6.000 2.654 2.479 3.263 0.021 9 0 "[ . 1 . 2]" 1
1183 1 71 CYS HB2 1 73 ARG H 5.000 2.500 6.000 4.316 4.160 4.758 . 0 0 "[ . 1 . 2]" 1
1184 1 72 ARG HA 1 72 ARG HB3 2.500 . 3.500 2.683 2.348 3.018 . 0 0 "[ . 1 . 2]" 1
1185 1 72 ARG HA 1 72 ARG HB2 2.500 . 3.500 2.664 2.431 3.024 . 0 0 "[ . 1 . 2]" 1
1186 1 72 ARG HA 1 72 ARG QD 5.000 2.500 6.000 3.917 3.524 4.411 . 0 0 "[ . 1 . 2]" 1
1187 1 72 ARG HA 1 72 ARG HD3 5.000 2.500 6.000 4.574 4.144 5.345 . 0 0 "[ . 1 . 2]" 1
1188 1 72 ARG HA 1 72 ARG HD2 5.000 2.500 6.000 4.348 3.691 5.485 . 0 0 "[ . 1 . 2]" 1
1189 1 72 ARG HA 1 72 ARG QG 2.500 . 3.500 2.657 2.046 3.441 . 0 0 "[ . 1 . 2]" 1
1190 1 72 ARG HB3 1 72 ARG HE 5.000 2.500 6.000 3.916 2.492 5.112 0.008 2 0 "[ . 1 . 2]" 1
1191 1 72 ARG H 1 72 ARG HB3 3.500 . 4.500 3.170 2.748 3.790 . 0 0 "[ . 1 . 2]" 1
1192 1 72 ARG HB2 1 72 ARG HE 5.000 2.500 6.000 3.980 2.498 5.034 0.002 11 0 "[ . 1 . 2]" 1
1193 1 72 ARG H 1 72 ARG HB2 3.500 . 4.500 3.047 2.232 3.885 . 0 0 "[ . 1 . 2]" 1
1194 1 72 ARG HE 1 72 ARG QG 5.000 2.500 6.000 2.949 2.473 3.318 0.027 2 0 "[ . 1 . 2]" 1
1195 1 72 ARG HD3 1 72 ARG QG 2.500 . 3.500 2.312 2.139 2.530 . 0 0 "[ . 1 . 2]" 1
1196 1 72 ARG HD2 1 72 ARG QG 2.500 . 3.500 2.305 2.151 2.531 . 0 0 "[ . 1 . 2]" 1
1197 1 72 ARG H 1 72 ARG QG 3.500 . 4.500 3.179 2.000 4.168 0.000 16 0 "[ . 1 . 2]" 1
1198 1 72 ARG HA 1 73 ARG H 3.500 . 4.500 3.162 2.930 3.548 . 0 0 "[ . 1 . 2]" 1
1199 1 72 ARG HB3 1 73 ARG H 5.000 2.500 6.000 4.073 2.826 4.622 . 0 0 "[ . 1 . 2]" 1
1200 1 72 ARG HB2 1 73 ARG H 5.000 2.500 6.000 4.052 2.931 4.518 . 0 0 "[ . 1 . 2]" 1
1201 1 72 ARG QG 1 73 ARG H 3.500 . 4.500 3.956 2.000 4.504 0.004 20 0 "[ . 1 . 2]" 1
1202 1 72 ARG H 1 73 ARG H 3.500 . 4.500 2.280 1.997 2.701 0.003 11 0 "[ . 1 . 2]" 1
1203 1 72 ARG HA 1 75 LEU HB3 3.500 . 4.500 3.177 2.741 3.507 . 0 0 "[ . 1 . 2]" 1
1204 1 72 ARG HA 1 75 LEU QD 5.000 2.500 6.000 4.198 3.433 4.833 . 0 0 "[ . 1 . 2]" 1
1205 1 72 ARG HA 1 75 LEU H 5.000 2.500 6.000 4.190 3.368 4.997 . 0 0 "[ . 1 . 2]" 1
1206 1 72 ARG HA 1 76 ALA MB 5.000 2.500 6.000 2.749 2.494 3.139 0.006 20 0 "[ . 1 . 2]" 1
1207 1 73 ARG HA 1 73 ARG HB3 2.500 . 3.500 2.994 2.959 3.022 . 0 0 "[ . 1 . 2]" 1
1208 1 73 ARG HA 1 73 ARG HB2 2.500 . 3.500 2.600 2.446 2.696 . 0 0 "[ . 1 . 2]" 1
1209 1 73 ARG HA 1 73 ARG QG 3.500 . 4.500 2.369 2.093 2.911 . 0 0 "[ . 1 . 2]" 1
1210 1 73 ARG H 1 73 ARG HA 2.500 . 3.500 2.880 2.787 2.910 . 0 0 "[ . 1 . 2]" 1
1211 1 73 ARG H 1 73 ARG HB3 2.500 . 3.500 2.761 2.469 2.940 . 0 0 "[ . 1 . 2]" 1
1212 1 73 ARG HB2 1 73 ARG QG 2.000 . 2.800 2.345 2.132 2.522 . 0 0 "[ . 1 . 2]" 1
1213 1 73 ARG H 1 73 ARG HB2 2.500 . 3.500 2.434 2.186 2.767 . 0 0 "[ . 1 . 2]" 1
1214 1 73 ARG H 1 73 ARG QD 5.000 2.500 6.000 4.272 3.667 4.562 . 0 0 "[ . 1 . 2]" 1
1215 1 73 ARG H 1 73 ARG QG 3.500 . 4.500 3.995 3.818 4.109 . 0 0 "[ . 1 . 2]" 1
1216 1 73 ARG HA 1 74 ARG H 2.500 . 3.500 3.117 2.137 3.550 0.050 10 0 "[ . 1 . 2]" 1
1217 1 73 ARG HB3 1 74 ARG H 3.500 . 4.500 2.805 1.996 4.159 0.004 13 0 "[ . 1 . 2]" 1
1218 1 73 ARG HB2 1 74 ARG H 3.500 . 4.500 3.757 3.160 4.434 . 0 0 "[ . 1 . 2]" 1
1219 1 73 ARG H 1 74 ARG H 3.500 . 4.500 3.094 2.262 4.557 0.057 6 0 "[ . 1 . 2]" 1
1220 1 73 ARG HA 1 76 ALA MB 3.500 . 4.500 4.244 4.026 4.501 0.001 14 0 "[ . 1 . 2]" 1
1221 1 74 ARG HA 1 74 ARG QB 2.000 . 2.800 2.443 2.177 2.538 . 0 0 "[ . 1 . 2]" 1
1222 1 74 ARG HA 1 74 ARG QG 3.500 . 4.500 2.377 2.112 3.330 . 0 0 "[ . 1 . 2]" 1
1223 1 74 ARG H 1 74 ARG HB3 3.500 . 4.500 3.377 2.484 4.125 . 0 0 "[ . 1 . 2]" 1
1224 1 74 ARG H 1 74 ARG HB2 3.500 . 4.500 2.829 2.266 3.655 . 0 0 "[ . 1 . 2]" 1
1225 1 74 ARG H 1 74 ARG QG 3.500 . 4.500 3.602 2.092 4.313 . 0 0 "[ . 1 . 2]" 1
1226 1 74 ARG HA 1 75 LEU H 2.500 . 3.500 3.513 3.477 3.557 0.057 20 0 "[ . 1 . 2]" 1
1227 1 74 ARG QB 1 75 LEU H 3.500 . 4.500 2.651 2.090 3.511 . 0 0 "[ . 1 . 2]" 1
1228 1 74 ARG H 1 75 LEU H 3.500 . 4.500 2.537 1.993 3.708 0.007 9 0 "[ . 1 . 2]" 1
1229 1 75 LEU HA 1 75 LEU HB3 2.500 . 3.500 2.967 2.947 3.012 . 0 0 "[ . 1 . 2]" 1
1230 1 75 LEU HA 1 75 LEU HB2 2.500 . 3.500 2.672 2.540 2.715 . 0 0 "[ . 1 . 2]" 1
1231 1 75 LEU HA 1 75 LEU QD 2.000 . 2.800 2.166 1.872 2.784 . 0 0 "[ . 1 . 2]" 1
1232 1 75 LEU HB3 1 75 LEU QD 2.000 . 2.800 2.173 1.929 2.376 . 0 0 "[ . 1 . 2]" 1
1233 1 75 LEU HB3 1 75 LEU HG 2.000 . 2.800 2.530 2.364 2.775 . 0 0 "[ . 1 . 2]" 1
1234 1 75 LEU H 1 75 LEU HB3 2.500 . 3.500 2.961 2.758 3.098 . 0 0 "[ . 1 . 2]" 1
1235 1 75 LEU H 1 75 LEU HB2 2.500 . 3.500 2.154 2.091 2.299 . 0 0 "[ . 1 . 2]" 1
1236 1 75 LEU H 1 75 LEU QD 3.500 . 4.500 3.348 3.144 3.624 . 0 0 "[ . 1 . 2]" 1
1237 1 75 LEU H 1 75 LEU MD1 5.000 2.500 6.000 3.921 3.320 4.301 . 0 0 "[ . 1 . 2]" 1
1238 1 75 LEU H 1 75 LEU MD2 5.000 2.500 6.000 3.859 3.240 4.362 . 0 0 "[ . 1 . 2]" 1
1239 1 75 LEU HB3 1 76 ALA H 3.500 . 4.500 2.549 2.086 2.832 . 0 0 "[ . 1 . 2]" 1
1240 1 75 LEU HB2 1 76 ALA H 2.500 . 3.500 3.464 3.342 3.507 0.007 9 0 "[ . 1 . 2]" 1
1241 1 75 LEU H 1 76 ALA MB 5.000 2.500 6.000 4.441 4.293 4.743 . 0 0 "[ . 1 . 2]" 1
1242 1 76 ALA HA 1 76 ALA MB 2.000 . 2.800 2.111 2.096 2.129 . 0 0 "[ . 1 . 2]" 1
1243 1 76 ALA H 1 76 ALA HA 2.500 . 3.500 2.843 2.798 2.910 . 0 0 "[ . 1 . 2]" 1
1244 1 76 ALA H 1 76 ALA MB 2.500 . 3.500 2.170 2.075 2.265 . 0 0 "[ . 1 . 2]" 1
1245 1 76 ALA HA 1 77 GLY H 3.500 . 4.500 2.565 2.143 3.575 . 0 0 "[ . 1 . 2]" 1
1246 1 76 ALA MB 1 77 GLY H 3.500 . 4.500 3.120 2.088 3.639 . 0 0 "[ . 1 . 2]" 1
1247 1 76 ALA H 1 77 GLY H 3.500 . 4.500 3.920 2.438 4.499 . 0 0 "[ . 1 . 2]" 1
1248 1 77 GLY H 1 77 GLY QA 2.000 . 2.800 2.328 2.196 2.503 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 16
_Distance_constraint_stats_list.Viol_count 47
_Distance_constraint_stats_list.Viol_total 17.676
_Distance_constraint_stats_list.Viol_max 0.048
_Distance_constraint_stats_list.Viol_rms 0.0098
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0028
_Distance_constraint_stats_list.Viol_average_violations_only 0.0188
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 33 CYS 0.032 0.005 15 0 "[ . 1 . 2]"
1 36 HIS 0.032 0.005 15 0 "[ . 1 . 2]"
1 48 ASN 0.002 0.001 3 0 "[ . 1 . 2]"
1 50 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 CYS 0.046 0.007 11 0 "[ . 1 . 2]"
1 55 CYS 0.844 0.048 19 0 "[ . 1 . 2]"
1 56 SER 0.006 0.004 17 0 "[ . 1 . 2]"
1 57 ARG 0.804 0.048 19 0 "[ . 1 . 2]"
1 59 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 LEU 0.002 0.001 3 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 33 CYS O 1 36 HIS N 3.300 2.500 3.500 3.195 3.016 3.316 . 0 0 "[ . 1 . 2]" 2
2 1 33 CYS O 1 36 HIS H 2.300 . 2.500 2.479 2.392 2.505 0.005 15 0 "[ . 1 . 2]" 2
3 1 50 ARG N 1 59 HIS O 3.300 2.500 3.500 2.938 2.634 3.226 . 0 0 "[ . 1 . 2]" 2
4 1 50 ARG H 1 59 HIS O 2.300 . 2.500 2.052 1.701 2.356 . 0 0 "[ . 1 . 2]" 2
5 1 52 CYS N 1 57 ARG O 3.300 2.500 3.500 2.763 2.563 3.163 . 0 0 "[ . 1 . 2]" 2
6 1 52 CYS H 1 57 ARG O 2.300 . 2.500 1.925 1.689 2.337 . 0 0 "[ . 1 . 2]" 2
7 1 52 CYS O 1 55 CYS N 3.300 2.500 3.500 3.208 3.055 3.338 . 0 0 "[ . 1 . 2]" 2
8 1 52 CYS O 1 55 CYS H 2.300 . 2.500 2.472 2.281 2.507 0.007 11 0 "[ . 1 . 2]" 2
9 1 52 CYS O 1 56 SER N 3.300 2.500 3.500 2.713 2.540 2.846 . 0 0 "[ . 1 . 2]" 2
10 1 52 CYS O 1 56 SER H 2.300 . 2.500 2.258 1.781 2.504 0.004 17 0 "[ . 1 . 2]" 2
11 1 55 CYS O 1 57 ARG N 3.300 2.500 3.500 2.773 2.640 2.977 . 0 0 "[ . 1 . 2]" 2
12 1 55 CYS O 1 57 ARG H 2.300 . 2.500 2.540 2.532 2.548 0.048 19 0 "[ . 1 . 2]" 2
13 1 50 ARG O 1 59 HIS N 3.300 2.500 3.500 3.070 2.843 3.320 . 0 0 "[ . 1 . 2]" 2
14 1 50 ARG O 1 59 HIS H 2.300 . 2.500 2.189 1.937 2.499 . 0 0 "[ . 1 . 2]" 2
15 1 48 ASN O 1 61 LEU N 3.300 2.500 3.500 3.057 2.726 3.279 . 0 0 "[ . 1 . 2]" 2
16 1 48 ASN O 1 61 LEU H 2.300 . 2.500 2.316 2.077 2.501 0.001 3 0 "[ . 1 . 2]" 2
stop_
save_
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