NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | in_dress | stage | program | type | subtype | subsubtype |
|
|
376262 |
1fgp   |
cing | recoord | dress | 4-filtered-FRED | Wattos | check | violation | distance |
data_1fgp
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 784
_Distance_constraint_stats_list.Viol_count 339
_Distance_constraint_stats_list.Viol_total 247.062
_Distance_constraint_stats_list.Viol_max 0.167
_Distance_constraint_stats_list.Viol_rms 0.0099
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0014
_Distance_constraint_stats_list.Viol_average_violations_only 0.0486
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLU 0.189 0.045 14 0 "[ . 1 .]"
1 2 THR 1.976 0.167 5 0 "[ . 1 .]"
1 3 VAL 0.702 0.082 3 0 "[ . 1 .]"
1 4 GLU 0.423 0.063 14 0 "[ . 1 .]"
1 5 SER 1.041 0.098 9 0 "[ . 1 .]"
1 6 CYS 2.361 0.167 5 0 "[ . 1 .]"
1 7 LEU 0.570 0.074 6 0 "[ . 1 .]"
1 8 ALA 0.474 0.063 14 0 "[ . 1 .]"
1 9 LYS 0.112 0.074 6 0 "[ . 1 .]"
1 10 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 11 HIS 0.052 0.030 14 0 "[ . 1 .]"
1 12 THR 0.000 0.000 . 0 "[ . 1 .]"
1 13 GLU 2.258 0.112 15 0 "[ . 1 .]"
1 14 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 15 SER 0.000 0.000 . 0 "[ . 1 .]"
1 16 PHE 0.008 0.005 14 0 "[ . 1 .]"
1 17 THR 1.427 0.138 9 0 "[ . 1 .]"
1 18 ASN 0.042 0.024 2 0 "[ . 1 .]"
1 19 VAL 0.976 0.102 12 0 "[ . 1 .]"
1 20 TRP 1.112 0.144 12 0 "[ . 1 .]"
1 21 LYS 0.000 0.000 . 0 "[ . 1 .]"
1 22 ASP 0.000 0.000 9 0 "[ . 1 .]"
1 23 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 24 LYS 0.715 0.075 7 0 "[ . 1 .]"
1 25 THR 1.758 0.135 15 0 "[ . 1 .]"
1 26 LEU 1.646 0.144 12 0 "[ . 1 .]"
1 27 ASP 0.095 0.045 10 0 "[ . 1 .]"
1 28 ARG 0.000 0.000 . 0 "[ . 1 .]"
1 29 TYR 0.357 0.075 10 0 "[ . 1 .]"
1 30 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 31 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 32 TYR 0.396 0.094 6 0 "[ . 1 .]"
1 33 GLU 0.373 0.071 8 0 "[ . 1 .]"
1 34 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 35 CYS 0.183 0.042 7 0 "[ . 1 .]"
1 36 LEU 0.200 0.083 12 0 "[ . 1 .]"
1 37 TRP 1.780 0.127 2 0 "[ . 1 .]"
1 38 ASN 0.530 0.087 13 0 "[ . 1 .]"
1 39 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 40 THR 0.013 0.013 15 0 "[ . 1 .]"
1 41 GLY 0.013 0.013 15 0 "[ . 1 .]"
1 42 VAL 0.101 0.036 5 0 "[ . 1 .]"
1 43 VAL 0.196 0.050 3 0 "[ . 1 .]"
1 44 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 45 CYS 0.000 0.000 . 0 "[ . 1 .]"
1 46 THR 0.000 0.000 . 0 "[ . 1 .]"
1 47 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 48 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 49 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 50 THR 0.470 0.068 1 0 "[ . 1 .]"
1 51 GLN 0.713 0.099 7 0 "[ . 1 .]"
1 52 CYS 2.605 0.138 9 0 "[ . 1 .]"
1 53 TYR 0.008 0.005 14 0 "[ . 1 .]"
1 54 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 55 THR 1.128 0.112 15 0 "[ . 1 .]"
1 56 TRP 1.973 0.111 2 0 "[ . 1 .]"
1 57 VAL 1.253 0.127 2 0 "[ . 1 .]"
1 58 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 59 ILE 0.000 0.000 . 0 "[ . 1 .]"
1 60 GLY 0.210 0.063 14 0 "[ . 1 .]"
1 61 LEU 0.692 0.063 2 0 "[ . 1 .]"
1 62 ALA 0.767 0.071 8 0 "[ . 1 .]"
1 63 ILE 0.000 0.000 . 0 "[ . 1 .]"
1 64 PRO 0.406 0.135 15 0 "[ . 1 .]"
1 65 GLU 0.051 0.019 8 0 "[ . 1 .]"
1 66 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 67 ALA 0.019 0.019 8 0 "[ . 1 .]"
1 69 ALA 0.033 0.018 10 0 "[ . 1 .]"
1 70 HIS 0.000 0.000 . 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 GLU HA 1 2 THR MG 6.000 . 7.200 5.460 5.104 5.691 . 0 0 "[ . 1 .]" 1
2 1 1 GLU HA 1 34 GLY QA 6.000 . 6.720 4.215 3.036 4.794 . 0 0 "[ . 1 .]" 1
3 1 1 GLU QB 1 61 LEU QD 5.000 . 7.560 2.174 1.614 3.312 . 0 0 "[ . 1 .]" 1
4 1 1 GLU QG 1 7 LEU HG 6.000 . 6.720 6.005 5.963 6.044 . 0 0 "[ . 1 .]" 1
5 1 9 LYS HA 1 10 PRO QD 3.000 . 3.360 2.297 2.217 2.375 . 0 0 "[ . 1 .]" 1
6 1 9 LYS QG 1 10 PRO QD 5.000 . 6.272 2.668 1.964 3.321 . 0 0 "[ . 1 .]" 1
7 1 10 PRO QG 1 37 TRP HZ2 . . 5.600 4.500 3.889 5.020 . 0 0 "[ . 1 .]" 1
8 1 11 HIS HA 1 12 THR HB 5.000 . 5.000 4.102 3.815 4.429 . 0 0 "[ . 1 .]" 1
9 1 11 HIS HA 1 12 THR MG 5.000 . 6.000 4.679 4.647 4.725 . 0 0 "[ . 1 .]" 1
10 1 11 HIS HA 1 37 TRP HZ3 . . 4.000 3.770 3.368 4.030 0.030 14 0 "[ . 1 .]" 1
11 1 11 HIS HA 1 57 VAL HA 5.000 . 5.000 3.481 3.185 3.689 . 0 0 "[ . 1 .]" 1
12 1 11 HIS HA 1 57 VAL QG 5.000 . 6.750 3.851 3.513 4.321 . 0 0 "[ . 1 .]" 1
13 1 11 HIS HA 1 58 PRO QD 5.000 . 5.600 1.890 1.779 2.129 . 0 0 "[ . 1 .]" 1
14 1 11 HIS QB 1 12 THR MG 5.000 . 6.720 3.268 2.884 3.603 . 0 0 "[ . 1 .]" 1
15 1 11 HIS QB 1 37 TRP HE3 6.000 . 6.720 5.828 5.473 6.029 . 0 0 "[ . 1 .]" 1
16 1 11 HIS QB 1 55 THR MG 6.000 . 8.064 5.462 5.253 5.717 . 0 0 "[ . 1 .]" 1
17 1 11 HIS QB 1 57 VAL QG 5.000 . 7.560 3.607 2.982 4.477 . 0 0 "[ . 1 .]" 1
18 1 11 HIS QB 1 58 PRO QD 5.000 . 6.272 3.305 3.134 3.504 . 0 0 "[ . 1 .]" 1
19 1 11 HIS HD1 1 12 THR MG 6.000 . 7.200 4.750 4.207 5.345 . 0 0 "[ . 1 .]" 1
20 1 11 HIS HD1 1 57 VAL HA 5.000 . 5.000 4.350 3.736 4.488 . 0 0 "[ . 1 .]" 1
21 1 11 HIS HD1 1 57 VAL QG 5.000 . 6.750 3.096 2.550 3.703 . 0 0 "[ . 1 .]" 1
22 1 11 HIS HD1 1 58 PRO QD 4.000 . 4.480 3.109 2.773 3.327 . 0 0 "[ . 1 .]" 1
23 1 9 LYS QB 1 11 HIS HD1 5.000 . 5.600 3.645 3.380 4.276 . 0 0 "[ . 1 .]" 1
24 1 10 PRO HA 1 11 HIS H 5.000 . 5.000 3.233 2.305 3.339 . 0 0 "[ . 1 .]" 1
25 1 10 PRO QB 1 11 HIS H 5.000 . 5.600 3.702 3.629 3.868 . 0 0 "[ . 1 .]" 1
26 1 11 HIS H 1 11 HIS HD1 5.000 . 5.000 3.008 2.638 3.659 . 0 0 "[ . 1 .]" 1
27 1 12 THR HB 1 37 TRP HZ3 6.000 . 6.000 5.283 5.051 5.499 . 0 0 "[ . 1 .]" 1
28 1 12 THR HB 1 55 THR HA 6.000 . 6.000 4.349 4.216 4.505 . 0 0 "[ . 1 .]" 1
29 1 12 THR HB 1 55 THR HB 5.000 . 5.000 3.420 3.360 3.501 . 0 0 "[ . 1 .]" 1
30 1 12 THR HB 1 56 TRP QB 5.000 . 5.600 5.085 5.072 5.095 . 0 0 "[ . 1 .]" 1
31 1 12 THR MG 1 13 GLU HA 5.000 . 6.000 2.729 2.661 2.793 . 0 0 "[ . 1 .]" 1
32 1 12 THR MG 1 13 GLU QB 5.000 . 6.720 3.024 2.981 3.077 . 0 0 "[ . 1 .]" 1
33 1 12 THR MG 1 14 ASN QB 5.000 . 6.720 4.881 4.836 4.919 . 0 0 "[ . 1 .]" 1
34 1 12 THR MG 1 37 TRP HE3 6.000 . 6.000 5.024 4.927 5.089 . 0 0 "[ . 1 .]" 1
35 1 12 THR MG 1 37 TRP HZ3 6.000 . 6.000 4.924 4.783 5.012 . 0 0 "[ . 1 .]" 1
36 1 12 THR MG 1 56 TRP HA 5.000 . 6.000 4.872 4.791 4.988 . 0 0 "[ . 1 .]" 1
37 1 12 THR MG 1 56 TRP QB 5.000 . 6.720 4.787 4.664 4.927 . 0 0 "[ . 1 .]" 1
38 1 12 THR MG 1 56 TRP HD1 6.000 . 6.000 4.360 4.090 4.574 . 0 0 "[ . 1 .]" 1
39 1 11 HIS HA 1 12 THR H 3.000 . 3.000 2.330 2.259 2.384 . 0 0 "[ . 1 .]" 1
40 1 12 THR H 1 12 THR MG 4.000 . 4.800 3.534 3.099 3.908 . 0 0 "[ . 1 .]" 1
41 1 12 THR H 1 56 TRP QB 5.000 . 5.600 4.578 4.159 5.037 . 0 0 "[ . 1 .]" 1
42 1 12 THR H 1 56 TRP H . . 5.000 4.200 4.068 4.327 . 0 0 "[ . 1 .]" 1
43 1 12 THR H 1 57 VAL HA 6.000 . 6.000 2.463 1.818 3.076 . 0 0 "[ . 1 .]" 1
44 1 12 THR H 1 57 VAL H 5.000 . 5.000 4.506 4.073 4.914 . 0 0 "[ . 1 .]" 1
45 1 13 GLU HA 1 55 THR HA 3.000 . 3.000 3.075 3.043 3.112 0.112 15 0 "[ . 1 .]" 1
46 1 13 GLU HA 1 56 TRP HD1 5.000 . 5.000 4.446 4.368 4.553 . 0 0 "[ . 1 .]" 1
47 1 12 THR MG 1 13 GLU QG 5.000 . 6.720 4.107 3.947 4.351 . 0 0 "[ . 1 .]" 1
48 1 13 GLU QG 1 55 THR HA . . 5.600 4.896 4.746 5.001 . 0 0 "[ . 1 .]" 1
49 1 12 THR HA 1 13 GLU H 6.000 . 6.000 3.609 3.602 3.616 . 0 0 "[ . 1 .]" 1
50 1 12 THR MG 1 13 GLU H 5.000 . 6.000 1.760 1.746 1.777 . 0 0 "[ . 1 .]" 1
51 1 13 GLU H 1 13 GLU QB 3.000 . 3.360 2.269 2.208 2.320 . 0 0 "[ . 1 .]" 1
52 1 13 GLU H 1 13 GLU QG 4.000 . 4.480 3.947 3.823 4.027 . 0 0 "[ . 1 .]" 1
53 1 14 ASN HA 1 53 TYR QD . . 5.600 4.103 3.828 4.232 . 0 0 "[ . 1 .]" 1
54 1 14 ASN HA 1 53 TYR QE 5.000 . 5.600 3.743 3.089 4.404 . 0 0 "[ . 1 .]" 1
55 1 14 ASN QB 1 15 SER HA 5.000 . 5.600 3.726 3.710 3.750 . 0 0 "[ . 1 .]" 1
56 1 14 ASN QB 1 56 TRP HD1 . . 5.600 3.584 3.475 3.712 . 0 0 "[ . 1 .]" 1
57 1 13 GLU HA 1 14 ASN H 3.000 . 3.000 2.185 2.161 2.201 . 0 0 "[ . 1 .]" 1
58 1 13 GLU QB 1 14 ASN H 6.000 . 6.720 3.956 3.922 3.980 . 0 0 "[ . 1 .]" 1
59 1 13 GLU QG 1 14 ASN H 6.000 . 6.720 3.234 3.139 3.327 . 0 0 "[ . 1 .]" 1
60 1 13 GLU H 1 14 ASN H 6.000 . 6.000 4.245 4.227 4.255 . 0 0 "[ . 1 .]" 1
61 1 14 ASN H 1 54 GLY H 5.000 . 5.000 3.841 3.762 3.965 . 0 0 "[ . 1 .]" 1
62 1 14 ASN H 1 55 THR MG 5.000 . 6.000 4.066 3.673 4.429 . 0 0 "[ . 1 .]" 1
63 1 14 ASN H 1 55 THR H 6.000 . 6.000 5.259 5.045 5.360 . 0 0 "[ . 1 .]" 1
64 1 14 ASN H 1 56 TRP HD1 4.000 . 4.000 2.936 2.854 3.079 . 0 0 "[ . 1 .]" 1
65 1 14 ASN H 1 56 TRP HE1 5.000 . 5.000 4.341 4.258 4.389 . 0 0 "[ . 1 .]" 1
66 1 15 SER HA 1 53 TYR QD 5.000 . 5.600 4.068 3.944 4.153 . 0 0 "[ . 1 .]" 1
67 1 15 SER HA 1 56 TRP QB . . 4.480 4.043 3.981 4.101 . 0 0 "[ . 1 .]" 1
68 1 15 SER QB 1 53 TYR HA 5.000 . 5.600 1.702 1.655 1.808 . 0 0 "[ . 1 .]" 1
69 1 15 SER QB 1 53 TYR QB 5.000 . 6.272 2.239 1.994 2.552 . 0 0 "[ . 1 .]" 1
70 1 15 SER QB 1 53 TYR QD 5.000 . 5.018 1.806 1.706 1.835 . 0 0 "[ . 1 .]" 1
71 1 15 SER QB 1 53 TYR QE 5.000 . 6.272 3.814 3.594 4.091 . 0 0 "[ . 1 .]" 1
72 1 14 ASN HA 1 15 SER H 6.000 . 6.000 2.966 2.909 3.026 . 0 0 "[ . 1 .]" 1
73 1 14 ASN QB 1 15 SER H 4.000 . 4.480 1.766 1.745 1.782 . 0 0 "[ . 1 .]" 1
74 1 15 SER H 1 53 TYR QD 5.000 . 5.600 4.485 4.086 4.714 . 0 0 "[ . 1 .]" 1
75 1 14 ASN QB 1 16 PHE HA 6.000 . 6.720 6.093 6.059 6.125 . 0 0 "[ . 1 .]" 1
76 1 16 PHE HA 1 17 THR MG 6.000 . 7.200 3.250 3.076 3.361 . 0 0 "[ . 1 .]" 1
77 1 16 PHE HA 1 53 TYR HA 6.000 . 6.000 5.914 5.809 6.005 0.005 14 0 "[ . 1 .]" 1
78 1 15 SER HA 1 16 PHE QB 5.000 . 5.600 3.806 3.771 3.853 . 0 0 "[ . 1 .]" 1
79 1 16 PHE QB 1 19 VAL QG 4.000 . 6.048 2.708 2.043 3.206 . 0 0 "[ . 1 .]" 1
80 1 16 PHE QB 1 56 TRP HZ2 . . 5.600 4.981 4.889 5.014 . 0 0 "[ . 1 .]" 1
81 1 16 PHE QE 1 17 THR HA 5.000 . 5.600 5.061 5.033 5.097 . 0 0 "[ . 1 .]" 1
82 1 15 SER HA 1 16 PHE H 3.000 . 3.000 2.665 2.506 2.735 . 0 0 "[ . 1 .]" 1
83 1 15 SER QB 1 16 PHE H 5.000 . 5.600 2.047 1.837 3.152 . 0 0 "[ . 1 .]" 1
84 1 16 PHE H 1 52 CYS H 5.000 . 5.000 3.751 3.616 3.845 . 0 0 "[ . 1 .]" 1
85 1 16 PHE H 1 54 GLY H 6.000 . 6.000 5.105 4.956 5.229 . 0 0 "[ . 1 .]" 1
86 1 17 THR HA 1 19 VAL QG 5.000 . 6.750 2.807 2.492 3.099 . 0 0 "[ . 1 .]" 1
87 1 17 THR HA 1 51 GLN HA 4.000 . 4.000 1.866 1.812 2.095 . 0 0 "[ . 1 .]" 1
88 1 17 THR HA 1 51 GLN QB 5.000 . 5.600 2.741 2.089 3.139 . 0 0 "[ . 1 .]" 1
89 1 17 THR HA 1 51 GLN QG 5.000 . 5.000 3.346 2.960 3.636 . 0 0 "[ . 1 .]" 1
90 1 17 THR HB 1 51 GLN HA 5.000 . 5.000 3.077 2.620 3.842 . 0 0 "[ . 1 .]" 1
91 1 17 THR HB 1 51 GLN QB 5.000 . 5.600 2.008 1.847 2.329 . 0 0 "[ . 1 .]" 1
92 1 17 THR HB 1 51 GLN QG 6.000 . 6.000 2.622 1.984 3.368 . 0 0 "[ . 1 .]" 1
93 1 17 THR MG 1 51 GLN HA 6.000 . 6.000 4.325 4.080 4.762 . 0 0 "[ . 1 .]" 1
94 1 17 THR MG 1 51 GLN QB 6.000 . 8.064 3.624 3.452 3.884 . 0 0 "[ . 1 .]" 1
95 1 17 THR MG 1 51 GLN QG 6.000 . 6.000 3.727 3.240 4.328 . 0 0 "[ . 1 .]" 1
96 1 16 PHE QB 1 17 THR H 5.000 . 5.600 3.494 3.249 3.677 . 0 0 "[ . 1 .]" 1
97 1 17 THR H 1 17 THR MG 4.000 . 4.800 1.841 1.789 1.932 . 0 0 "[ . 1 .]" 1
98 1 18 ASN QB 1 51 GLN QG 6.000 . 6.720 4.396 3.674 5.210 . 0 0 "[ . 1 .]" 1
99 1 17 THR HA 1 18 ASN H 5.000 . 5.000 2.470 2.340 2.657 . 0 0 "[ . 1 .]" 1
100 1 17 THR HB 1 18 ASN H 5.000 . 5.000 3.338 2.976 3.570 . 0 0 "[ . 1 .]" 1
101 1 17 THR MG 1 18 ASN H 5.000 . 6.000 3.966 3.734 4.117 . 0 0 "[ . 1 .]" 1
102 1 18 ASN H 1 19 VAL HB 5.000 . 5.000 4.710 4.479 5.024 0.024 2 0 "[ . 1 .]" 1
103 1 18 ASN H 1 19 VAL QG 6.000 . 8.100 3.609 3.152 3.809 . 0 0 "[ . 1 .]" 1
104 1 18 ASN H 1 19 VAL H . . 3.000 2.464 2.330 2.625 . 0 0 "[ . 1 .]" 1
105 1 19 VAL HA 1 19 VAL QG 3.000 . 4.050 2.099 2.011 2.137 . 0 0 "[ . 1 .]" 1
106 1 19 VAL HB 1 50 THR MG 6.000 . 7.200 5.381 5.218 5.680 . 0 0 "[ . 1 .]" 1
107 1 19 VAL QG 1 28 ARG QD 5.000 . 7.560 2.842 2.023 3.823 . 0 0 "[ . 1 .]" 1
108 1 19 VAL QG 1 28 ARG QG 4.000 . 6.048 2.241 1.809 3.916 . 0 0 "[ . 1 .]" 1
109 1 19 VAL QG 1 50 THR MG 5.000 . 8.100 5.013 4.901 5.056 . 0 0 "[ . 1 .]" 1
110 1 19 VAL QG 1 51 GLN HA 5.000 . 6.750 3.015 2.229 3.313 . 0 0 "[ . 1 .]" 1
111 1 19 VAL QG 1 52 CYS QB 5.000 . 7.560 2.378 1.896 3.610 . 0 0 "[ . 1 .]" 1
112 1 19 VAL QG 1 53 TYR HA 5.000 . 6.750 4.886 4.770 5.008 . 0 0 "[ . 1 .]" 1
113 1 19 VAL QG 1 56 TRP HH2 4.000 . 5.400 1.812 1.678 2.057 . 0 0 "[ . 1 .]" 1
114 1 19 VAL QG 1 56 TRP HZ2 5.000 . 6.750 3.259 3.135 3.391 . 0 0 "[ . 1 .]" 1
115 1 17 THR HA 1 19 VAL H 6.000 . 6.000 2.937 2.878 3.103 . 0 0 "[ . 1 .]" 1
116 1 18 ASN HA 1 19 VAL H 5.000 . 5.000 3.132 3.066 3.245 . 0 0 "[ . 1 .]" 1
117 1 18 ASN QB 1 19 VAL H 6.000 . 6.720 3.573 3.442 3.668 . 0 0 "[ . 1 .]" 1
118 1 19 VAL H 1 19 VAL HB 3.000 . 3.000 2.652 2.514 2.880 . 0 0 "[ . 1 .]" 1
119 1 19 VAL H 1 19 VAL QG 3.000 . 4.050 1.922 1.792 2.115 . 0 0 "[ . 1 .]" 1
120 1 19 VAL H 1 20 TRP H 6.000 . 6.000 4.676 4.660 4.693 . 0 0 "[ . 1 .]" 1
121 1 19 VAL H 1 52 CYS H 4.000 . 4.000 3.976 3.697 4.102 0.102 12 0 "[ . 1 .]" 1
122 1 2 THR HA 1 3 VAL QG 5.000 . 6.750 3.681 3.328 4.223 . 0 0 "[ . 1 .]" 1
123 1 2 THR HB 1 3 VAL HA 5.000 . 5.000 4.978 4.739 5.082 0.082 3 0 "[ . 1 .]" 1
124 1 2 THR HB 1 4 GLU QB 5.000 . 5.600 3.663 3.326 4.276 . 0 0 "[ . 1 .]" 1
125 1 19 VAL QG 1 20 TRP HA 5.000 . 6.750 3.456 3.275 3.746 . 0 0 "[ . 1 .]" 1
126 1 20 TRP HE1 1 21 LYS QG 5.000 . 5.600 5.038 5.021 5.055 . 0 0 "[ . 1 .]" 1
127 1 20 TRP HE1 1 29 TYR QB 5.000 . 5.600 4.144 3.477 4.819 . 0 0 "[ . 1 .]" 1
128 1 20 TRP HE1 1 29 TYR QD 6.000 . 6.720 4.017 2.755 4.743 . 0 0 "[ . 1 .]" 1
129 1 20 TRP HE1 1 63 ILE MD 5.000 . 6.000 3.291 2.817 3.528 . 0 0 "[ . 1 .]" 1
130 1 20 TRP HH2 1 20 TRP HZ3 2.500 . 2.500 2.480 2.479 2.483 . 0 0 "[ . 1 .]" 1
131 1 20 TRP HH2 1 36 LEU QD 4.000 . 5.400 1.743 1.583 2.130 . 0 0 "[ . 1 .]" 1
132 1 20 TRP HH2 1 63 ILE HB 6.000 . 6.000 4.600 3.389 5.066 . 0 0 "[ . 1 .]" 1
133 1 20 TRP HH2 1 63 ILE MD 5.000 . 6.000 2.861 2.555 3.176 . 0 0 "[ . 1 .]" 1
134 1 20 TRP HH2 1 63 ILE QG 5.000 . 6.000 3.470 1.888 4.086 . 0 0 "[ . 1 .]" 1
135 1 19 VAL HB 1 20 TRP H 6.000 . 6.000 3.724 3.446 3.870 . 0 0 "[ . 1 .]" 1
136 1 19 VAL QG 1 20 TRP H 4.000 . 5.400 1.956 1.776 2.147 . 0 0 "[ . 1 .]" 1
137 1 20 TRP H 1 20 TRP HE3 5.000 . 5.000 2.800 2.379 3.268 . 0 0 "[ . 1 .]" 1
138 1 20 TRP H 1 29 TYR H 5.000 . 5.000 3.402 3.141 3.682 . 0 0 "[ . 1 .]" 1
139 1 20 TRP HZ2 1 29 TYR QB 6.000 . 6.720 2.993 2.669 3.426 . 0 0 "[ . 1 .]" 1
140 1 20 TRP HZ2 1 63 ILE MD 4.000 . 4.800 2.125 1.713 2.333 . 0 0 "[ . 1 .]" 1
141 1 20 TRP HZ2 1 63 ILE QG 4.000 . 4.800 3.846 1.907 4.327 . 0 0 "[ . 1 .]" 1
142 1 20 TRP HZ3 1 29 TYR HA 5.000 . 5.000 4.751 4.508 5.030 0.030 2 0 "[ . 1 .]" 1
143 1 20 TRP HD1 1 21 LYS HA 6.000 . 6.000 3.760 3.426 4.122 . 0 0 "[ . 1 .]" 1
144 1 21 LYS HA 1 28 ARG HA 4.000 . 4.000 2.555 2.171 2.817 . 0 0 "[ . 1 .]" 1
145 1 21 LYS HA 1 28 ARG QD 5.000 . 5.600 3.563 2.907 4.270 . 0 0 "[ . 1 .]" 1
146 1 21 LYS HA 1 29 TYR QD 5.000 . 5.600 3.178 2.878 3.515 . 0 0 "[ . 1 .]" 1
147 1 21 LYS QB 1 28 ARG HA . . 5.600 3.348 2.833 3.747 . 0 0 "[ . 1 .]" 1
148 1 21 LYS QB 1 28 ARG QG 5.000 . 6.272 3.776 3.020 4.361 . 0 0 "[ . 1 .]" 1
149 1 21 LYS QD 1 26 LEU QD 5.000 . 7.560 4.971 4.797 5.020 . 0 0 "[ . 1 .]" 1
150 1 21 LYS QE 1 23 ASP QB 4.000 . 5.018 3.406 2.874 3.991 . 0 0 "[ . 1 .]" 1
151 1 21 LYS QE 1 26 LEU HA 6.000 . 6.720 4.652 3.350 5.376 . 0 0 "[ . 1 .]" 1
152 1 21 LYS QE 1 26 LEU QD 5.000 . 7.560 4.416 3.393 4.996 . 0 0 "[ . 1 .]" 1
153 1 20 TRP HA 1 21 LYS QG 6.000 . 6.720 5.769 5.697 5.861 . 0 0 "[ . 1 .]" 1
154 1 20 TRP HD1 1 21 LYS QG 6.000 . 6.720 4.931 4.705 5.145 . 0 0 "[ . 1 .]" 1
155 1 21 LYS QG 1 26 LEU HA . . 5.600 4.908 4.605 5.013 . 0 0 "[ . 1 .]" 1
156 1 21 LYS QG 1 27 ASP HA 5.000 . 5.600 4.024 3.587 4.315 . 0 0 "[ . 1 .]" 1
157 1 21 LYS QG 1 29 TYR QD 6.000 . 6.272 4.099 3.842 4.414 . 0 0 "[ . 1 .]" 1
158 1 20 TRP HA 1 21 LYS H 4.000 . 4.000 2.651 2.542 2.719 . 0 0 "[ . 1 .]" 1
159 1 20 TRP QB 1 21 LYS H 3.000 . 3.360 2.600 2.494 2.815 . 0 0 "[ . 1 .]" 1
160 1 20 TRP HD1 1 21 LYS H 5.000 . 5.000 1.869 1.816 1.987 . 0 0 "[ . 1 .]" 1
161 1 21 LYS H 1 21 LYS HA 3.000 . 3.000 2.961 2.938 2.984 . 0 0 "[ . 1 .]" 1
162 1 21 LYS H 1 21 LYS QB 3.000 . 3.360 2.713 2.624 2.806 . 0 0 "[ . 1 .]" 1
163 1 21 LYS H 1 22 ASP H 5.000 . 5.000 4.097 3.921 4.375 . 0 0 "[ . 1 .]" 1
164 1 21 LYS H 1 63 ILE MD 6.000 . 7.200 6.080 5.998 6.134 . 0 0 "[ . 1 .]" 1
165 1 22 ASP HA 1 23 ASP QB 5.000 . 5.600 4.143 4.059 4.361 . 0 0 "[ . 1 .]" 1
166 1 22 ASP QB 1 27 ASP QB 5.000 . 6.272 4.982 4.942 4.992 . 0 0 "[ . 1 .]" 1
167 1 22 ASP QB 1 29 TYR QB 5.000 . 6.272 4.011 3.424 4.715 . 0 0 "[ . 1 .]" 1
168 1 22 ASP QB 1 29 TYR QE 5.000 . 6.272 3.468 1.948 3.923 . 0 0 "[ . 1 .]" 1
169 1 21 LYS HA 1 22 ASP H 3.000 . 3.000 2.203 2.183 2.282 . 0 0 "[ . 1 .]" 1
170 1 21 LYS QB 1 22 ASP H 4.000 . 4.480 3.848 3.627 3.948 . 0 0 "[ . 1 .]" 1
171 1 21 LYS QG 1 22 ASP H 5.000 . 5.600 2.652 2.005 2.974 . 0 0 "[ . 1 .]" 1
172 1 22 ASP H 1 23 ASP H 5.000 . 5.000 4.477 4.310 4.526 . 0 0 "[ . 1 .]" 1
173 1 22 ASP H 1 24 LYS QB 6.000 . 6.720 6.098 6.069 6.141 . 0 0 "[ . 1 .]" 1
174 1 22 ASP H 1 25 THR H 6.000 . 6.000 4.934 4.841 5.125 . 0 0 "[ . 1 .]" 1
175 1 22 ASP H 1 26 LEU HA 6.000 . 6.000 5.552 5.152 6.000 0.000 9 0 "[ . 1 .]" 1
176 1 22 ASP H 1 27 ASP QB 6.000 . 6.720 4.988 4.832 5.143 . 0 0 "[ . 1 .]" 1
177 1 22 ASP H 1 27 ASP H . . 5.000 3.518 3.125 3.823 . 0 0 "[ . 1 .]" 1
178 1 22 ASP H 1 28 ARG QD 6.000 . 6.720 5.371 4.818 6.006 . 0 0 "[ . 1 .]" 1
179 1 22 ASP H 1 29 TYR QD 5.000 . 5.600 2.490 2.124 2.977 . 0 0 "[ . 1 .]" 1
180 1 22 ASP H 1 29 TYR H . . 5.000 4.459 4.216 4.725 . 0 0 "[ . 1 .]" 1
181 1 21 LYS QB 1 23 ASP HA 6.000 . 6.720 5.871 5.689 6.002 . 0 0 "[ . 1 .]" 1
182 1 21 LYS QE 1 23 ASP HA 6.000 . 6.720 3.152 2.455 3.967 . 0 0 "[ . 1 .]" 1
183 1 23 ASP HA 1 26 LEU QD 5.000 . 6.750 3.228 2.343 3.774 . 0 0 "[ . 1 .]" 1
184 1 22 ASP HA 1 23 ASP H 5.000 . 5.000 2.178 2.163 2.195 . 0 0 "[ . 1 .]" 1
185 1 23 ASP H 1 23 ASP QB 2.500 . 2.800 2.280 2.090 2.503 . 0 0 "[ . 1 .]" 1
186 1 23 ASP H 1 24 LYS H 4.000 . 4.000 2.281 2.167 2.378 . 0 0 "[ . 1 .]" 1
187 1 23 ASP H 1 25 THR H 6.000 . 6.000 4.302 4.120 4.430 . 0 0 "[ . 1 .]" 1
188 1 24 LYS HA 1 26 LEU QD 5.000 . 6.750 4.374 3.213 5.027 . 0 0 "[ . 1 .]" 1
189 1 23 ASP HA 1 24 LYS H 5.000 . 5.000 3.418 3.367 3.443 . 0 0 "[ . 1 .]" 1
190 1 23 ASP QB 1 24 LYS H 5.000 . 5.600 3.106 2.925 3.701 . 0 0 "[ . 1 .]" 1
191 1 24 LYS H 1 24 LYS QB 2.500 . 2.800 2.151 2.051 2.265 . 0 0 "[ . 1 .]" 1
192 1 24 LYS H 1 24 LYS QG 4.000 . 4.480 3.242 2.536 3.994 . 0 0 "[ . 1 .]" 1
193 1 24 LYS H 1 25 THR MG 5.000 . 6.000 4.026 3.681 4.579 . 0 0 "[ . 1 .]" 1
194 1 24 LYS H 1 25 THR H . . 2.500 2.548 2.509 2.575 0.075 7 0 "[ . 1 .]" 1
195 1 24 LYS H 1 26 LEU H 5.000 . 5.000 3.344 3.275 3.445 . 0 0 "[ . 1 .]" 1
196 1 24 LYS QB 1 25 THR HA 4.000 . 4.480 3.832 3.712 4.027 . 0 0 "[ . 1 .]" 1
197 1 25 THR HA 1 26 LEU HG 6.000 . 6.000 5.703 4.779 6.122 0.122 13 0 "[ . 1 .]" 1
198 1 25 THR HA 1 29 TYR QE 6.000 . 6.720 4.746 4.302 5.612 . 0 0 "[ . 1 .]" 1
199 1 24 LYS QB 1 25 THR HB 6.000 . 6.720 5.128 5.005 5.232 . 0 0 "[ . 1 .]" 1
200 1 24 LYS QB 1 25 THR MG 6.000 . 8.064 2.894 2.523 3.196 . 0 0 "[ . 1 .]" 1
201 1 24 LYS QG 1 25 THR MG 5.000 . 6.720 4.574 3.232 4.991 . 0 0 "[ . 1 .]" 1
202 1 22 ASP QB 1 25 THR H 5.000 . 5.600 1.874 1.774 2.006 . 0 0 "[ . 1 .]" 1
203 1 23 ASP HA 1 25 THR H 6.000 . 6.000 4.820 4.637 5.032 . 0 0 "[ . 1 .]" 1
204 1 23 ASP QB 1 25 THR H 6.000 . 6.720 5.240 5.051 5.646 . 0 0 "[ . 1 .]" 1
205 1 24 LYS QB 1 25 THR H 3.000 . 3.360 2.266 2.105 2.401 . 0 0 "[ . 1 .]" 1
206 1 24 LYS QG 1 25 THR H 5.000 . 5.600 4.080 3.504 4.302 . 0 0 "[ . 1 .]" 1
207 1 25 THR H 1 25 THR MG 3.000 . 3.600 2.073 1.778 2.487 . 0 0 "[ . 1 .]" 1
208 1 25 THR H 1 26 LEU HA 5.000 . 5.000 4.805 4.680 4.873 . 0 0 "[ . 1 .]" 1
209 1 25 THR H 1 26 LEU H . . 2.500 2.485 2.355 2.561 0.061 13 0 "[ . 1 .]" 1
210 1 26 LEU HA 1 26 LEU QD 4.000 . 5.400 1.879 1.732 2.091 . 0 0 "[ . 1 .]" 1
211 1 26 LEU HA 1 27 ASP QB 6.000 . 6.720 4.321 4.292 4.373 . 0 0 "[ . 1 .]" 1
212 1 26 LEU HA 1 65 GLU QB 6.000 . 6.720 5.741 5.400 6.059 . 0 0 "[ . 1 .]" 1
213 1 20 TRP HE1 1 26 LEU H 6.000 . 6.000 6.071 6.036 6.144 0.144 12 0 "[ . 1 .]" 1
214 1 22 ASP QB 1 26 LEU H 5.000 . 5.600 2.862 2.453 2.990 . 0 0 "[ . 1 .]" 1
215 1 25 THR HA 1 26 LEU H 5.000 . 5.000 3.474 3.443 3.501 . 0 0 "[ . 1 .]" 1
216 1 25 THR MG 1 26 LEU H 5.000 . 6.000 3.750 3.421 4.017 . 0 0 "[ . 1 .]" 1
217 1 26 LEU H 1 26 LEU HA 2.500 . 2.500 2.350 2.333 2.363 . 0 0 "[ . 1 .]" 1
218 1 26 LEU H 1 26 LEU QD 4.000 . 5.400 3.446 2.676 3.867 . 0 0 "[ . 1 .]" 1
219 1 26 LEU H 1 26 LEU HG 5.000 . 5.000 3.940 3.116 5.036 0.036 13 0 "[ . 1 .]" 1
220 1 26 LEU H 1 27 ASP H . . 4.000 2.920 2.800 3.117 . 0 0 "[ . 1 .]" 1
221 1 27 ASP HA 1 28 ARG QB 6.000 . 6.720 4.241 4.140 4.465 . 0 0 "[ . 1 .]" 1
222 1 27 ASP QB 1 28 ARG HA 6.000 . 6.720 4.325 4.230 4.416 . 0 0 "[ . 1 .]" 1
223 1 27 ASP QB 1 29 TYR QB 5.000 . 6.272 4.962 4.830 5.026 . 0 0 "[ . 1 .]" 1
224 1 27 ASP QB 1 29 TYR QE 5.000 . 5.018 2.134 1.881 2.399 . 0 0 "[ . 1 .]" 1
225 1 27 ASP QB 1 38 ASN QB 5.000 . 6.272 3.337 2.663 3.973 . 0 0 "[ . 1 .]" 1
226 1 27 ASP QB 1 66 ASN QB 5.000 . 6.272 4.803 3.874 4.992 . 0 0 "[ . 1 .]" 1
227 1 22 ASP QB 1 27 ASP H 5.000 . 5.600 3.922 3.707 4.049 . 0 0 "[ . 1 .]" 1
228 1 25 THR MG 1 27 ASP H 6.000 . 7.200 5.108 4.846 5.623 . 0 0 "[ . 1 .]" 1
229 1 25 THR H 1 27 ASP H 5.000 . 5.000 4.928 4.761 5.045 0.045 10 0 "[ . 1 .]" 1
230 1 26 LEU HA 1 27 ASP H 5.000 . 5.000 2.607 2.481 2.692 . 0 0 "[ . 1 .]" 1
231 1 26 LEU QB 1 27 ASP H 5.000 . 5.600 3.957 3.914 3.986 . 0 0 "[ . 1 .]" 1
232 1 26 LEU QD 1 27 ASP H 6.000 . 8.100 3.661 3.483 3.943 . 0 0 "[ . 1 .]" 1
233 1 27 ASP H 1 27 ASP QB 3.000 . 3.360 3.045 3.018 3.104 . 0 0 "[ . 1 .]" 1
234 1 19 VAL QG 1 28 ARG HA 5.000 . 6.750 3.965 3.705 4.238 . 0 0 "[ . 1 .]" 1
235 1 21 LYS QG 1 28 ARG HA 6.000 . 6.720 2.825 2.498 3.208 . 0 0 "[ . 1 .]" 1
236 1 19 VAL QG 1 28 ARG QB 5.000 . 7.560 3.659 2.782 3.985 . 0 0 "[ . 1 .]" 1
237 1 28 ARG QB 1 39 ALA MB 5.000 . 6.720 1.824 1.763 1.967 . 0 0 "[ . 1 .]" 1
238 1 28 ARG QD 1 39 ALA MB 6.000 . 8.064 3.685 3.210 4.076 . 0 0 "[ . 1 .]" 1
239 1 28 ARG QD 1 43 VAL QG 5.000 . 7.560 4.432 3.707 5.000 . 0 0 "[ . 1 .]" 1
240 1 21 LYS HA 1 28 ARG QG 5.000 . 5.600 3.846 3.418 4.476 . 0 0 "[ . 1 .]" 1
241 1 28 ARG QG 1 39 ALA MB 5.000 . 6.720 2.228 1.811 2.694 . 0 0 "[ . 1 .]" 1
242 1 28 ARG QG 1 43 VAL QG 6.000 . 9.072 3.599 2.872 4.033 . 0 0 "[ . 1 .]" 1
243 1 28 ARG QG 1 56 TRP HH2 6.000 . 6.720 3.519 3.026 5.442 . 0 0 "[ . 1 .]" 1
244 1 19 VAL QG 1 28 ARG H 6.000 . 8.100 5.711 5.456 5.981 . 0 0 "[ . 1 .]" 1
245 1 22 ASP H 1 28 ARG H 6.000 . 6.000 5.650 5.300 5.863 . 0 0 "[ . 1 .]" 1
246 1 27 ASP HA 1 28 ARG H 3.000 . 3.000 2.495 2.410 2.562 . 0 0 "[ . 1 .]" 1
247 1 27 ASP QB 1 28 ARG H 4.000 . 4.480 2.638 2.413 2.901 . 0 0 "[ . 1 .]" 1
248 1 28 ARG H 1 28 ARG QB 3.000 . 3.360 2.285 2.221 2.334 . 0 0 "[ . 1 .]" 1
249 1 28 ARG H 1 38 ASN QD 5.000 . 5.000 3.449 2.485 4.455 . 0 0 "[ . 1 .]" 1
250 1 28 ARG H 1 39 ALA MB 5.000 . 6.000 4.002 3.803 4.337 . 0 0 "[ . 1 .]" 1
251 1 29 TYR HA 1 29 TYR QE 5.000 . 5.600 4.502 4.358 4.585 . 0 0 "[ . 1 .]" 1
252 1 29 TYR HA 1 36 LEU QD 5.000 . 6.750 3.254 2.671 3.637 . 0 0 "[ . 1 .]" 1
253 1 29 TYR HA 1 38 ASN HA 4.000 . 4.000 2.079 1.853 2.343 . 0 0 "[ . 1 .]" 1
254 1 29 TYR HA 1 38 ASN QB 6.000 . 6.720 3.710 3.234 4.093 . 0 0 "[ . 1 .]" 1
255 1 20 TRP HD1 1 29 TYR QB 6.000 . 6.720 5.211 4.604 5.793 . 0 0 "[ . 1 .]" 1
256 1 29 TYR QB 1 36 LEU QD 5.000 . 6.048 1.756 1.676 1.815 . 0 0 "[ . 1 .]" 1
257 1 29 TYR QB 1 36 LEU HG 5.000 . 5.600 3.129 2.378 3.761 . 0 0 "[ . 1 .]" 1
258 1 29 TYR QB 1 38 ASN QB 6.000 . 7.526 4.401 3.923 4.924 . 0 0 "[ . 1 .]" 1
259 1 29 TYR QD 1 38 ASN QB 5.000 . 6.272 2.581 2.246 2.916 . 0 0 "[ . 1 .]" 1
260 1 29 TYR QD 1 59 ILE MD 5.000 . 5.376 2.290 1.850 3.090 . 0 0 "[ . 1 .]" 1
261 1 21 LYS QG 1 29 TYR QE 5.000 . 6.272 4.492 3.962 4.879 . 0 0 "[ . 1 .]" 1
262 1 29 TYR QE 1 38 ASN QB 3.000 . 3.763 2.070 1.820 2.498 . 0 0 "[ . 1 .]" 1
263 1 29 TYR QE 1 59 ILE MD 3.000 . 4.032 2.316 1.838 3.001 . 0 0 "[ . 1 .]" 1
264 1 19 VAL QG 1 29 TYR H 4.000 . 5.400 2.796 2.581 2.964 . 0 0 "[ . 1 .]" 1
265 1 21 LYS HA 1 29 TYR H 6.000 . 6.000 3.155 2.909 3.281 . 0 0 "[ . 1 .]" 1
266 1 28 ARG HA 1 29 TYR H 4.000 . 4.000 2.349 2.289 2.413 . 0 0 "[ . 1 .]" 1
267 1 28 ARG QB 1 29 TYR H 5.000 . 5.600 3.425 2.926 3.583 . 0 0 "[ . 1 .]" 1
268 1 28 ARG QG 1 29 TYR H 6.000 . 6.720 2.321 1.971 4.206 . 0 0 "[ . 1 .]" 1
269 1 29 TYR H 1 29 TYR QD 5.000 . 5.600 3.216 3.006 3.588 . 0 0 "[ . 1 .]" 1
270 1 1 GLU QB 1 3 VAL HA 5.000 . 5.600 4.910 4.653 5.079 . 0 0 "[ . 1 .]" 1
271 1 3 VAL HA 1 6 CYS QB 5.000 . 5.600 2.306 1.954 2.581 . 0 0 "[ . 1 .]" 1
272 1 3 VAL HA 1 7 LEU HA 6.000 . 6.000 5.762 5.197 6.016 0.016 8 0 "[ . 1 .]" 1
273 1 3 VAL HA 1 7 LEU QB 5.000 . 5.600 4.761 4.145 5.035 . 0 0 "[ . 1 .]" 1
274 1 3 VAL HA 1 7 LEU QD 5.000 . 6.750 3.420 3.212 3.636 . 0 0 "[ . 1 .]" 1
275 1 3 VAL QG 1 35 CYS HA 6.000 . 8.100 5.480 5.155 5.918 . 0 0 "[ . 1 .]" 1
276 1 3 VAL QG 1 60 GLY QA 6.000 . 7.560 2.598 1.790 3.124 . 0 0 "[ . 1 .]" 1
277 1 2 THR HA 1 3 VAL H 6.000 . 6.000 2.289 2.195 2.473 . 0 0 "[ . 1 .]" 1
278 1 2 THR MG 1 3 VAL H 5.000 . 6.000 3.123 1.846 3.818 . 0 0 "[ . 1 .]" 1
279 1 2 THR H 1 3 VAL H 6.000 . 6.000 3.945 3.215 4.673 . 0 0 "[ . 1 .]" 1
280 1 3 VAL H 1 3 VAL HB 3.000 . 3.000 2.683 2.261 2.954 . 0 0 "[ . 1 .]" 1
281 1 3 VAL H 1 3 VAL QG 2.500 . 3.375 2.034 1.778 2.520 . 0 0 "[ . 1 .]" 1
282 1 3 VAL H 1 4 GLU QB 5.000 . 5.600 4.476 4.187 4.939 . 0 0 "[ . 1 .]" 1
283 1 3 VAL H 1 4 GLU H 4.000 . 4.000 2.677 2.336 2.901 . 0 0 "[ . 1 .]" 1
284 1 3 VAL H 1 61 LEU HG 5.000 . 5.000 5.016 4.934 5.063 0.063 2 0 "[ . 1 .]" 1
285 1 3 VAL H 1 7 LEU QD 5.000 . 6.750 4.953 4.726 5.063 . 0 0 "[ . 1 .]" 1
286 1 19 VAL QG 1 30 ALA HA 6.000 . 8.100 2.737 2.439 3.168 . 0 0 "[ . 1 .]" 1
287 1 20 TRP HZ3 1 30 ALA HA 5.000 . 5.000 3.573 3.004 4.011 . 0 0 "[ . 1 .]" 1
288 1 15 SER HA 1 30 ALA MB 5.000 . 6.000 4.254 3.964 4.441 . 0 0 "[ . 1 .]" 1
289 1 30 ALA MB 1 56 TRP HZ3 5.000 . 6.000 2.960 2.584 3.271 . 0 0 "[ . 1 .]" 1
290 1 29 TYR HA 1 30 ALA H 3.000 . 3.000 2.249 2.188 2.317 . 0 0 "[ . 1 .]" 1
291 1 29 TYR QB 1 30 ALA H 4.000 . 4.480 2.806 2.644 3.032 . 0 0 "[ . 1 .]" 1
292 1 29 TYR QD 1 30 ALA H 4.000 . 4.480 3.739 3.531 3.901 . 0 0 "[ . 1 .]" 1
293 1 30 ALA H 1 36 LEU QD 4.000 . 5.400 2.616 2.066 3.111 . 0 0 "[ . 1 .]" 1
294 1 30 ALA H 1 36 LEU HG 6.000 . 6.000 4.233 2.883 5.446 . 0 0 "[ . 1 .]" 1
295 1 30 ALA H 1 37 TRP QB 5.000 . 5.600 3.004 2.871 3.285 . 0 0 "[ . 1 .]" 1
296 1 30 ALA H 1 37 TRP H 4.000 . 4.000 2.809 2.332 3.102 . 0 0 "[ . 1 .]" 1
297 1 31 ASN HA 1 36 LEU HA 4.000 . 4.000 2.855 2.521 3.238 . 0 0 "[ . 1 .]" 1
298 1 31 ASN HA 1 36 LEU QD 5.000 . 6.750 2.055 1.706 2.836 . 0 0 "[ . 1 .]" 1
299 1 31 ASN HA 1 37 TRP HD1 5.000 . 5.000 4.430 4.149 4.799 . 0 0 "[ . 1 .]" 1
300 1 31 ASN HA 1 62 ALA HA 6.000 . 6.000 3.013 2.366 3.811 . 0 0 "[ . 1 .]" 1
301 1 31 ASN HA 1 62 ALA MB 5.000 . 6.000 3.635 3.117 4.482 . 0 0 "[ . 1 .]" 1
302 1 31 ASN QB 1 62 ALA MB 4.000 . 5.376 3.210 2.245 3.969 . 0 0 "[ . 1 .]" 1
303 1 20 TRP HZ3 1 31 ASN H 5.000 . 5.000 2.651 2.044 3.612 . 0 0 "[ . 1 .]" 1
304 1 30 ALA HA 1 31 ASN H 6.000 . 6.000 2.213 2.187 2.265 . 0 0 "[ . 1 .]" 1
305 1 30 ALA MB 1 31 ASN H 5.000 . 6.000 3.392 3.129 3.578 . 0 0 "[ . 1 .]" 1
306 1 31 ASN QB 1 32 TYR HA 6.000 . 6.720 4.689 4.406 4.959 . 0 0 "[ . 1 .]" 1
307 1 32 TYR HA 1 32 TYR QD 4.000 . 4.480 2.406 1.877 2.980 . 0 0 "[ . 1 .]" 1
308 1 32 TYR HA 1 36 LEU QD 6.000 . 8.100 5.497 5.108 5.917 . 0 0 "[ . 1 .]" 1
309 1 32 TYR QB 1 37 TRP HD1 5.000 . 5.600 2.371 2.121 2.627 . 0 0 "[ . 1 .]" 1
310 1 32 TYR QD 1 33 GLU QB 5.000 . 6.272 3.899 3.030 4.438 . 0 0 "[ . 1 .]" 1
311 1 32 TYR QD 1 33 GLU QG 6.000 . 7.526 5.230 3.500 5.962 . 0 0 "[ . 1 .]" 1
312 1 32 TYR QD 1 37 TRP HZ2 5.000 . 5.600 3.745 3.156 4.264 . 0 0 "[ . 1 .]" 1
313 1 32 TYR QE 1 33 GLU QB 5.000 . 6.272 4.684 4.346 4.990 . 0 0 "[ . 1 .]" 1
314 1 31 ASN HA 1 32 TYR H 3.000 . 3.000 2.260 2.177 2.429 . 0 0 "[ . 1 .]" 1
315 1 31 ASN QB 1 32 TYR H 5.000 . 5.600 3.747 3.522 4.045 . 0 0 "[ . 1 .]" 1
316 1 32 TYR H 1 35 CYS H 5.000 . 5.000 3.706 3.185 3.993 . 0 0 "[ . 1 .]" 1
317 1 32 TYR H 1 36 LEU HA 6.000 . 6.000 2.698 2.451 2.872 . 0 0 "[ . 1 .]" 1
318 1 32 TYR H 1 36 LEU QD 5.000 . 6.750 3.249 2.877 3.714 . 0 0 "[ . 1 .]" 1
319 1 32 TYR H 1 37 TRP HD1 4.000 . 4.000 3.036 2.750 3.240 . 0 0 "[ . 1 .]" 1
320 1 32 TYR H 1 37 TRP HE1 4.000 . 4.000 4.017 3.939 4.094 0.094 6 0 "[ . 1 .]" 1
321 1 32 TYR H 1 62 ALA MB 5.000 . 6.000 4.309 3.656 5.030 . 0 0 "[ . 1 .]" 1
322 1 33 GLU HA 1 62 ALA HA 6.000 . 6.000 5.947 5.334 6.071 0.071 8 0 "[ . 1 .]" 1
323 1 32 TYR QB 1 33 GLU QB 5.000 . 6.272 4.698 4.515 4.919 . 0 0 "[ . 1 .]" 1
324 1 32 TYR HA 1 33 GLU H 5.000 . 5.000 2.640 2.375 2.713 . 0 0 "[ . 1 .]" 1
325 1 32 TYR QD 1 33 GLU H 6.000 . 6.720 4.139 3.140 4.664 . 0 0 "[ . 1 .]" 1
326 1 33 GLU H 1 33 GLU HA 3.000 . 3.000 2.445 2.361 2.890 . 0 0 "[ . 1 .]" 1
327 1 33 GLU H 1 34 GLY H 5.000 . 5.000 3.677 3.002 4.148 . 0 0 "[ . 1 .]" 1
328 1 1 GLU QG 1 34 GLY QA 5.000 . 6.272 3.781 3.047 4.310 . 0 0 "[ . 1 .]" 1
329 1 34 GLY QA 1 62 ALA MB 5.000 . 6.720 3.623 3.432 4.195 . 0 0 "[ . 1 .]" 1
330 1 32 TYR H 1 34 GLY H 6.000 . 6.000 4.751 3.392 5.329 . 0 0 "[ . 1 .]" 1
331 1 33 GLU HA 1 34 GLY H 4.000 . 4.000 2.394 2.261 2.937 . 0 0 "[ . 1 .]" 1
332 1 33 GLU QB 1 34 GLY H 5.000 . 5.600 3.874 3.694 4.048 . 0 0 "[ . 1 .]" 1
333 1 34 GLY H 1 35 CYS H . . 4.000 2.731 2.168 3.161 . 0 0 "[ . 1 .]" 1
334 1 34 GLY H 1 62 ALA MB 5.000 . 6.000 2.759 2.424 3.827 . 0 0 "[ . 1 .]" 1
335 1 35 CYS HA 1 61 LEU HA 4.000 . 4.000 2.130 1.850 2.488 . 0 0 "[ . 1 .]" 1
336 1 35 CYS HA 1 61 LEU QD 5.000 . 6.750 3.334 2.967 3.975 . 0 0 "[ . 1 .]" 1
337 1 35 CYS HA 1 62 ALA HA 5.000 . 5.000 4.725 4.221 5.028 0.028 9 0 "[ . 1 .]" 1
338 1 35 CYS HA 1 62 ALA MB 5.000 . 6.000 4.524 4.134 5.062 . 0 0 "[ . 1 .]" 1
339 1 31 ASN HA 1 35 CYS QB 6.000 . 6.720 5.703 5.233 6.029 . 0 0 "[ . 1 .]" 1
340 1 35 CYS QB 1 37 TRP HZ2 5.000 . 5.600 4.047 3.496 4.328 . 0 0 "[ . 1 .]" 1
341 1 6 CYS QB 1 35 CYS QB 5.000 . 6.272 3.289 1.819 4.438 . 0 0 "[ . 1 .]" 1
342 1 35 CYS QB 1 61 LEU HA 6.000 . 6.720 4.228 3.799 4.685 . 0 0 "[ . 1 .]" 1
343 1 35 CYS QB 1 61 LEU QD 5.000 . 7.560 4.646 4.077 4.995 . 0 0 "[ . 1 .]" 1
344 1 9 LYS QD 1 35 CYS QB 5.000 . 6.272 3.139 2.437 3.676 . 0 0 "[ . 1 .]" 1
345 1 34 GLY QA 1 35 CYS H 5.000 . 5.600 2.787 2.659 2.925 . 0 0 "[ . 1 .]" 1
346 1 35 CYS H 1 37 TRP HE1 5.000 . 5.000 4.824 4.205 5.033 0.033 13 0 "[ . 1 .]" 1
347 1 35 CYS H 1 62 ALA HA 6.000 . 6.000 4.761 3.649 5.207 . 0 0 "[ . 1 .]" 1
348 1 35 CYS H 1 62 ALA MB 4.000 . 4.800 3.985 3.801 4.116 . 0 0 "[ . 1 .]" 1
349 1 36 LEU HA 1 36 LEU QD 4.000 . 5.400 1.943 1.768 2.447 . 0 0 "[ . 1 .]" 1
350 1 36 LEU HA 1 37 TRP HD1 . . 4.000 2.957 2.690 3.230 . 0 0 "[ . 1 .]" 1
351 1 36 LEU HA 1 59 ILE QG 5.000 . 6.000 5.242 4.642 5.419 . 0 0 "[ . 1 .]" 1
352 1 36 LEU HA 1 62 ALA HA 5.000 . 5.000 3.094 2.809 3.724 . 0 0 "[ . 1 .]" 1
353 1 32 TYR QB 1 36 LEU QB 6.000 . 7.526 5.210 4.852 5.384 . 0 0 "[ . 1 .]" 1
354 1 36 LEU QB 1 61 LEU HA 5.000 . 5.600 3.761 3.466 4.341 . 0 0 "[ . 1 .]" 1
355 1 36 LEU QB 1 62 ALA HA . . 4.480 1.954 1.764 2.412 . 0 0 "[ . 1 .]" 1
356 1 36 LEU QB 1 64 PRO QG 6.000 . 7.526 3.475 2.561 3.943 . 0 0 "[ . 1 .]" 1
357 1 20 TRP HZ2 1 36 LEU QD 5.000 . 6.750 3.415 3.054 3.965 . 0 0 "[ . 1 .]" 1
358 1 29 TYR QD 1 36 LEU QD 5.000 . 7.560 1.950 1.685 2.484 . 0 0 "[ . 1 .]" 1
359 1 36 LEU QD 1 59 ILE HB 6.000 . 8.100 4.374 3.003 5.153 . 0 0 "[ . 1 .]" 1
360 1 36 LEU QD 1 62 ALA HA 6.000 . 8.100 2.349 1.809 3.208 . 0 0 "[ . 1 .]" 1
361 1 36 LEU HG 1 62 ALA HA 6.000 . 6.000 3.934 3.027 4.534 . 0 0 "[ . 1 .]" 1
362 1 35 CYS HA 1 36 LEU H 4.000 . 4.000 2.367 2.188 2.533 . 0 0 "[ . 1 .]" 1
363 1 35 CYS QB 1 36 LEU H 4.000 . 4.480 3.053 2.284 3.950 . 0 0 "[ . 1 .]" 1
364 1 36 LEU H 1 36 LEU QB 3.000 . 3.360 2.561 2.308 2.708 . 0 0 "[ . 1 .]" 1
365 1 36 LEU H 1 36 LEU HG 5.000 . 5.000 4.680 4.352 5.083 0.083 12 0 "[ . 1 .]" 1
366 1 36 LEU H 1 60 GLY H . . 5.000 3.451 3.185 3.700 . 0 0 "[ . 1 .]" 1
367 1 36 LEU H 1 62 ALA HA 5.000 . 5.000 4.172 3.515 4.600 . 0 0 "[ . 1 .]" 1
368 1 36 LEU H 1 62 ALA MB 5.000 . 6.000 4.870 4.133 5.053 . 0 0 "[ . 1 .]" 1
369 1 36 LEU H 1 62 ALA H 6.000 . 6.000 4.341 3.350 4.801 . 0 0 "[ . 1 .]" 1
370 1 37 TRP HA 1 57 VAL QG 6.000 . 8.100 4.725 4.335 4.955 . 0 0 "[ . 1 .]" 1
371 1 37 TRP HA 1 58 PRO HA 3.000 . 3.000 1.897 1.790 2.070 . 0 0 "[ . 1 .]" 1
372 1 37 TRP HA 1 58 PRO QB 5.000 . 5.600 3.513 3.347 3.784 . 0 0 "[ . 1 .]" 1
373 1 37 TRP HA 1 59 ILE QG 5.000 . 6.000 4.327 3.451 4.619 . 0 0 "[ . 1 .]" 1
374 1 15 SER HA 1 37 TRP QB 5.000 . 5.600 5.017 4.990 5.043 . 0 0 "[ . 1 .]" 1
375 1 16 PHE QB 1 37 TRP QB 5.000 . 6.272 4.281 4.086 4.574 . 0 0 "[ . 1 .]" 1
376 1 30 ALA MB 1 37 TRP QB 5.000 . 6.720 2.275 1.842 2.537 . 0 0 "[ . 1 .]" 1
377 1 37 TRP QB 1 37 TRP HE3 . . 3.360 2.427 2.386 2.449 . 0 0 "[ . 1 .]" 1
378 1 37 TRP QB 1 55 THR HA 6.000 . 6.720 6.033 5.996 6.054 . 0 0 "[ . 1 .]" 1
379 1 37 TRP QB 1 56 TRP QB 5.000 . 5.018 1.600 1.585 1.618 . 0 0 "[ . 1 .]" 1
380 1 37 TRP QB 1 56 TRP HE3 . . 3.360 3.024 2.956 3.051 . 0 0 "[ . 1 .]" 1
381 1 37 TRP QB 1 59 ILE MD 5.000 . 6.720 3.859 3.726 4.075 . 0 0 "[ . 1 .]" 1
382 1 35 CYS QB 1 37 TRP HD1 6.000 . 6.720 3.826 3.381 4.600 . 0 0 "[ . 1 .]" 1
383 1 37 TRP HA 1 37 TRP HD1 5.000 . 5.000 3.769 3.496 3.949 . 0 0 "[ . 1 .]" 1
384 1 32 TYR QB 1 37 TRP HE1 4.000 . 4.480 1.874 1.772 1.983 . 0 0 "[ . 1 .]" 1
385 1 32 TYR QD 1 37 TRP HE1 6.000 . 6.720 2.644 2.205 3.158 . 0 0 "[ . 1 .]" 1
386 1 35 CYS QB 1 37 TRP HE1 4.000 . 4.480 2.613 2.132 3.263 . 0 0 "[ . 1 .]" 1
387 1 9 LYS QB 1 37 TRP HE1 6.000 . 6.720 5.649 5.289 6.003 . 0 0 "[ . 1 .]" 1
388 1 37 TRP HE3 1 56 TRP QB 5.000 . 5.600 2.315 1.911 2.559 . 0 0 "[ . 1 .]" 1
389 1 37 TRP HE3 1 57 VAL HA 5.000 . 5.000 4.061 3.965 4.153 . 0 0 "[ . 1 .]" 1
390 1 37 TRP HE3 1 58 PRO HA 5.000 . 5.000 4.177 3.843 4.590 . 0 0 "[ . 1 .]" 1
391 1 37 TRP HE3 1 58 PRO QD . . 4.480 3.253 3.057 3.501 . 0 0 "[ . 1 .]" 1
392 1 10 PRO QB 1 37 TRP HH2 5.000 . 5.600 4.341 3.840 4.771 . 0 0 "[ . 1 .]" 1
393 1 9 LYS QD 1 37 TRP HH2 3.000 . 3.360 2.661 2.012 3.013 . 0 0 "[ . 1 .]" 1
394 1 31 ASN HA 1 37 TRP H 5.000 . 5.000 4.060 3.772 4.389 . 0 0 "[ . 1 .]" 1
395 1 36 LEU HA 1 37 TRP H 3.000 . 3.000 2.175 2.153 2.204 . 0 0 "[ . 1 .]" 1
396 1 36 LEU QB 1 37 TRP H 5.000 . 5.600 3.827 3.663 3.934 . 0 0 "[ . 1 .]" 1
397 1 36 LEU QD 1 37 TRP H 4.000 . 5.400 2.550 1.847 3.241 . 0 0 "[ . 1 .]" 1
398 1 36 LEU HG 1 37 TRP H 5.000 . 5.000 3.700 2.422 4.895 . 0 0 "[ . 1 .]" 1
399 1 37 TRP H 1 37 TRP HD1 4.000 . 4.000 1.891 1.812 2.105 . 0 0 "[ . 1 .]" 1
400 1 9 LYS QD 1 37 TRP HZ2 4.000 . 4.480 2.322 1.833 2.711 . 0 0 "[ . 1 .]" 1
401 1 37 TRP HZ3 1 56 TRP QB 6.000 . 6.720 4.299 3.937 4.486 . 0 0 "[ . 1 .]" 1
402 1 37 TRP HZ3 1 57 VAL HA 5.000 . 5.000 5.084 5.049 5.127 0.127 2 0 "[ . 1 .]" 1
403 1 37 TRP HZ3 1 58 PRO QD 4.000 . 4.480 3.653 3.476 3.902 . 0 0 "[ . 1 .]" 1
404 1 29 TYR QD 1 38 ASN HA 5.000 . 5.600 2.868 2.487 3.067 . 0 0 "[ . 1 .]" 1
405 1 29 TYR QE 1 38 ASN HA 6.000 . 6.720 3.851 3.629 4.123 . 0 0 "[ . 1 .]" 1
406 1 38 ASN HA 1 39 ALA MB 5.000 . 6.000 3.975 3.920 4.014 . 0 0 "[ . 1 .]" 1
407 1 38 ASN HA 1 56 TRP HZ3 5.000 . 5.000 4.981 4.618 5.087 0.087 13 0 "[ . 1 .]" 1
408 1 38 ASN HA 1 59 ILE QG 5.000 . 6.000 4.871 4.488 5.271 . 0 0 "[ . 1 .]" 1
409 1 38 ASN QB 1 39 ALA HA 6.000 . 6.720 4.921 4.780 5.072 . 0 0 "[ . 1 .]" 1
410 1 38 ASN QB 1 56 TRP QB 6.000 . 7.526 4.613 4.475 4.760 . 0 0 "[ . 1 .]" 1
411 1 38 ASN QB 1 57 VAL HB . . 5.600 3.512 2.417 4.634 . 0 0 "[ . 1 .]" 1
412 1 38 ASN QB 1 57 VAL QG 5.000 . 7.560 3.459 1.878 4.361 . 0 0 "[ . 1 .]" 1
413 1 38 ASN QB 1 59 ILE QG 4.000 . 5.376 2.976 2.678 3.348 . 0 0 "[ . 1 .]" 1
414 1 38 ASN QD 1 39 ALA H . . 4.000 3.101 2.242 3.614 . 0 0 "[ . 1 .]" 1
415 1 38 ASN QD 1 57 VAL HB 5.000 . 5.000 3.710 2.402 4.531 . 0 0 "[ . 1 .]" 1
416 1 38 ASN QD 1 59 ILE MD 5.000 . 6.000 3.910 3.374 4.279 . 0 0 "[ . 1 .]" 1
417 1 37 TRP HA 1 38 ASN H 3.000 . 3.000 2.571 2.510 2.633 . 0 0 "[ . 1 .]" 1
418 1 37 TRP QB 1 38 ASN H 5.000 . 5.600 2.300 2.223 2.401 . 0 0 "[ . 1 .]" 1
419 1 38 ASN H 1 57 VAL QG 5.000 . 6.750 3.924 2.891 4.124 . 0 0 "[ . 1 .]" 1
420 1 38 ASN H 1 57 VAL H . . 4.000 3.372 3.281 3.476 . 0 0 "[ . 1 .]" 1
421 1 38 ASN H 1 59 ILE MD 4.000 . 4.800 2.922 2.597 3.088 . 0 0 "[ . 1 .]" 1
422 1 39 ALA HA 1 43 VAL QG 5.000 . 6.750 3.390 2.897 3.732 . 0 0 "[ . 1 .]" 1
423 1 39 ALA HA 1 56 TRP HA 5.000 . 5.000 2.369 2.172 2.610 . 0 0 "[ . 1 .]" 1
424 1 39 ALA HA 1 56 TRP HE3 6.000 . 6.000 4.095 3.659 4.604 . 0 0 "[ . 1 .]" 1
425 1 39 ALA MB 1 43 VAL QG 5.000 . 6.480 1.958 1.693 2.239 . 0 0 "[ . 1 .]" 1
426 1 39 ALA MB 1 56 TRP HE3 6.000 . 7.200 2.739 2.446 3.164 . 0 0 "[ . 1 .]" 1
427 1 39 ALA MB 1 56 TRP HH2 5.000 . 6.000 3.525 3.183 4.001 . 0 0 "[ . 1 .]" 1
428 1 39 ALA MB 1 56 TRP HZ2 5.000 . 6.000 3.921 3.683 4.294 . 0 0 "[ . 1 .]" 1
429 1 28 ARG QB 1 39 ALA H 5.000 . 5.600 2.215 1.992 2.412 . 0 0 "[ . 1 .]" 1
430 1 28 ARG H 1 39 ALA H 5.000 . 5.000 3.717 3.497 3.890 . 0 0 "[ . 1 .]" 1
431 1 29 TYR HA 1 39 ALA H 6.000 . 6.000 2.985 2.750 3.230 . 0 0 "[ . 1 .]" 1
432 1 29 TYR QD 1 39 ALA H 5.000 . 5.600 4.507 4.237 4.698 . 0 0 "[ . 1 .]" 1
433 1 38 ASN HA 1 39 ALA H 2.500 . 2.500 2.168 2.146 2.198 . 0 0 "[ . 1 .]" 1
434 1 39 ALA H 1 39 ALA MB 2.500 . 3.000 2.185 2.112 2.352 . 0 0 "[ . 1 .]" 1
435 1 2 THR MG 1 4 GLU HA 6.000 . 7.200 4.418 4.017 4.725 . 0 0 "[ . 1 .]" 1
436 1 3 VAL QG 1 4 GLU HA 6.000 . 8.100 3.723 2.946 4.249 . 0 0 "[ . 1 .]" 1
437 1 4 GLU HA 1 7 LEU QB 4.000 . 4.480 3.243 2.937 3.616 . 0 0 "[ . 1 .]" 1
438 1 4 GLU HA 1 7 LEU QD 5.000 . 6.750 3.344 2.585 4.341 . 0 0 "[ . 1 .]" 1
439 1 4 GLU HA 1 8 ALA HA 6.000 . 6.000 6.021 5.893 6.063 0.063 14 0 "[ . 1 .]" 1
440 1 2 THR MG 1 4 GLU QB 5.000 . 6.720 2.289 1.928 2.710 . 0 0 "[ . 1 .]" 1
441 1 4 GLU QB 1 5 SER HA 5.000 . 5.600 3.990 3.818 4.254 . 0 0 "[ . 1 .]" 1
442 1 4 GLU QG 1 7 LEU QD 6.000 . 9.072 4.605 3.722 5.438 . 0 0 "[ . 1 .]" 1
443 1 2 THR HA 1 4 GLU H 5.000 . 5.000 3.550 3.263 4.264 . 0 0 "[ . 1 .]" 1
444 1 3 VAL HA 1 4 GLU H 5.000 . 5.000 3.497 3.465 3.519 . 0 0 "[ . 1 .]" 1
445 1 3 VAL QG 1 4 GLU H 4.000 . 5.400 2.948 1.866 3.457 . 0 0 "[ . 1 .]" 1
446 1 4 GLU H 1 4 GLU QB 2.500 . 2.800 2.227 2.062 2.542 . 0 0 "[ . 1 .]" 1
447 1 4 GLU H 1 5 SER H . . 3.000 2.757 2.623 2.938 . 0 0 "[ . 1 .]" 1
448 1 39 ALA MB 1 40 THR HA 5.000 . 6.000 4.143 3.903 4.470 . 0 0 "[ . 1 .]" 1
449 1 40 THR HA 1 43 VAL QG 5.000 . 6.750 4.628 4.276 5.023 . 0 0 "[ . 1 .]" 1
450 1 40 THR HB 1 43 VAL QG 6.000 . 8.100 5.433 4.352 6.008 . 0 0 "[ . 1 .]" 1
451 1 40 THR MG 1 55 THR HB 4.000 . 4.800 4.016 4.010 4.029 . 0 0 "[ . 1 .]" 1
452 1 39 ALA HA 1 40 THR H 2.500 . 2.500 2.236 2.190 2.286 . 0 0 "[ . 1 .]" 1
453 1 39 ALA MB 1 40 THR H 4.000 . 4.800 2.971 2.734 3.144 . 0 0 "[ . 1 .]" 1
454 1 40 THR H 1 40 THR MG 4.000 . 4.800 1.908 1.777 2.168 . 0 0 "[ . 1 .]" 1
455 1 40 THR H 1 43 VAL QG 5.000 . 6.750 3.200 2.528 3.578 . 0 0 "[ . 1 .]" 1
456 1 40 THR MG 1 41 GLY QA 6.000 . 8.064 3.923 3.053 4.960 . 0 0 "[ . 1 .]" 1
457 1 40 THR HA 1 41 GLY H 5.000 . 5.000 3.379 2.337 3.593 . 0 0 "[ . 1 .]" 1
458 1 40 THR HB 1 41 GLY H 4.000 . 4.000 3.455 2.040 4.013 0.013 15 0 "[ . 1 .]" 1
459 1 40 THR MG 1 41 GLY H 5.000 . 6.000 2.526 1.781 3.780 . 0 0 "[ . 1 .]" 1
460 1 41 GLY H 1 42 VAL HA 6.000 . 6.000 5.253 4.664 5.866 . 0 0 "[ . 1 .]" 1
461 1 41 GLY H 1 43 VAL QG 5.000 . 6.750 3.679 2.679 4.769 . 0 0 "[ . 1 .]" 1
462 1 42 VAL HA 1 42 VAL QG 3.000 . 4.050 2.117 2.008 2.296 . 0 0 "[ . 1 .]" 1
463 1 42 VAL HA 1 43 VAL QG 5.000 . 6.750 3.488 3.026 4.051 . 0 0 "[ . 1 .]" 1
464 1 41 GLY QA 1 42 VAL H 3.000 . 3.360 2.496 2.212 2.930 . 0 0 "[ . 1 .]" 1
465 1 42 VAL H 1 42 VAL HA 3.000 . 3.000 2.883 2.785 2.993 . 0 0 "[ . 1 .]" 1
466 1 42 VAL H 1 42 VAL HB 2.500 . 2.500 2.481 2.377 2.536 0.036 5 0 "[ . 1 .]" 1
467 1 42 VAL H 1 42 VAL QG 3.000 . 4.050 2.337 2.030 2.855 . 0 0 "[ . 1 .]" 1
468 1 42 VAL H 1 43 VAL QG 5.000 . 6.750 3.723 2.904 4.175 . 0 0 "[ . 1 .]" 1
469 1 42 VAL QG 1 43 VAL HA 5.000 . 6.750 3.478 3.170 3.754 . 0 0 "[ . 1 .]" 1
470 1 43 VAL HA 1 54 GLY QA 5.000 . 5.600 3.089 2.596 4.130 . 0 0 "[ . 1 .]" 1
471 1 43 VAL QG 1 52 CYS QB 5.000 . 6.048 2.417 1.770 4.009 . 0 0 "[ . 1 .]" 1
472 1 43 VAL QG 1 54 GLY QA 6.000 . 7.560 2.336 1.806 3.010 . 0 0 "[ . 1 .]" 1
473 1 42 VAL HA 1 43 VAL H 2.500 . 2.500 2.275 2.188 2.397 . 0 0 "[ . 1 .]" 1
474 1 42 VAL QG 1 43 VAL H 4.000 . 5.400 2.800 1.947 3.418 . 0 0 "[ . 1 .]" 1
475 1 42 VAL H 1 43 VAL H 6.000 . 6.000 4.349 3.790 4.669 . 0 0 "[ . 1 .]" 1
476 1 43 VAL H 1 43 VAL HB 3.000 . 3.000 2.961 2.792 3.050 0.050 3 0 "[ . 1 .]" 1
477 1 43 VAL H 1 43 VAL QG 4.000 . 5.400 2.621 2.159 3.141 . 0 0 "[ . 1 .]" 1
478 1 43 VAL HA 1 44 VAL HA 6.000 . 6.000 4.448 4.388 4.513 . 0 0 "[ . 1 .]" 1
479 1 43 VAL QG 1 44 VAL HA 6.000 . 8.100 4.208 3.612 4.578 . 0 0 "[ . 1 .]" 1
480 1 44 VAL HA 1 44 VAL QG 3.000 . 3.000 2.128 2.080 2.245 . 0 0 "[ . 1 .]" 1
481 1 44 VAL HA 1 45 CYS HA 5.000 . 5.000 4.469 4.448 4.501 . 0 0 "[ . 1 .]" 1
482 1 44 VAL HA 1 52 CYS HA 6.000 . 6.000 5.304 5.179 5.526 . 0 0 "[ . 1 .]" 1
483 1 44 VAL HB 1 53 TYR QB 5.000 . 5.600 3.448 2.489 4.998 . 0 0 "[ . 1 .]" 1
484 1 44 VAL HB 1 53 TYR QD 5.000 . 5.600 3.057 2.248 4.571 . 0 0 "[ . 1 .]" 1
485 1 44 VAL QG 1 53 TYR QB . . 5.600 3.099 2.084 3.600 . 0 0 "[ . 1 .]" 1
486 1 44 VAL QG 1 53 TYR QD 5.000 . 5.600 2.591 1.864 3.227 . 0 0 "[ . 1 .]" 1
487 1 43 VAL HB 1 44 VAL H 6.000 . 6.000 3.823 2.406 4.396 . 0 0 "[ . 1 .]" 1
488 1 43 VAL QG 1 44 VAL H 4.000 . 5.400 2.468 1.861 3.057 . 0 0 "[ . 1 .]" 1
489 1 44 VAL H 1 44 VAL HB 4.000 . 4.000 2.618 2.415 3.700 . 0 0 "[ . 1 .]" 1
490 1 44 VAL H 1 44 VAL QG 3.000 . 3.000 2.146 1.807 2.253 . 0 0 "[ . 1 .]" 1
491 1 44 VAL H 1 52 CYS QB 6.000 . 6.720 4.729 3.194 5.498 . 0 0 "[ . 1 .]" 1
492 1 44 VAL H 1 53 TYR QB 5.000 . 5.600 4.474 4.110 4.974 . 0 0 "[ . 1 .]" 1
493 1 44 VAL H 1 53 TYR H 5.000 . 5.000 3.220 2.701 3.634 . 0 0 "[ . 1 .]" 1
494 1 44 VAL QG 1 45 CYS HA 5.000 . 5.000 3.600 3.253 3.764 . 0 0 "[ . 1 .]" 1
495 1 45 CYS HA 1 46 THR HB 5.000 . 5.000 4.506 4.263 4.825 . 0 0 "[ . 1 .]" 1
496 1 45 CYS HA 1 52 CYS HA 3.000 . 3.000 2.257 1.841 2.472 . 0 0 "[ . 1 .]" 1
497 1 45 CYS HA 1 52 CYS QB 5.000 . 5.600 2.983 1.914 3.521 . 0 0 "[ . 1 .]" 1
498 1 45 CYS QB 1 48 ASP QB 6.000 . 7.526 6.050 5.998 6.130 . 0 0 "[ . 1 .]" 1
499 1 45 CYS QB 1 49 GLU HA 4.000 . 4.480 1.809 1.650 2.038 . 0 0 "[ . 1 .]" 1
500 1 45 CYS QB 1 49 GLU QB 5.000 . 6.272 2.393 1.996 2.778 . 0 0 "[ . 1 .]" 1
501 1 45 CYS QB 1 49 GLU QG 5.000 . 5.600 2.020 1.782 2.222 . 0 0 "[ . 1 .]" 1
502 1 45 CYS QB 1 52 CYS HA 5.000 . 5.600 4.242 3.446 4.578 . 0 0 "[ . 1 .]" 1
503 1 44 VAL HA 1 45 CYS H 5.000 . 5.000 2.249 2.195 2.366 . 0 0 "[ . 1 .]" 1
504 1 44 VAL QG 1 45 CYS H 5.000 . 5.000 3.015 2.454 3.712 . 0 0 "[ . 1 .]" 1
505 1 46 THR HB 1 51 GLN QB 6.000 . 6.720 4.809 4.539 5.249 . 0 0 "[ . 1 .]" 1
506 1 44 VAL QG 1 46 THR H 6.000 . 6.000 4.365 4.123 4.476 . 0 0 "[ . 1 .]" 1
507 1 45 CYS HA 1 46 THR H 3.000 . 3.000 2.228 2.181 2.335 . 0 0 "[ . 1 .]" 1
508 1 45 CYS QB 1 46 THR H 4.000 . 4.480 3.117 2.664 3.613 . 0 0 "[ . 1 .]" 1
509 1 46 THR H 1 46 THR MG 3.000 . 3.600 2.157 1.863 2.333 . 0 0 "[ . 1 .]" 1
510 1 46 THR H 1 49 GLU QG 5.000 . 5.000 4.430 4.247 4.522 . 0 0 "[ . 1 .]" 1
511 1 46 THR H 1 51 GLN H 5.000 . 5.000 3.292 2.864 3.881 . 0 0 "[ . 1 .]" 1
512 1 46 THR H 1 52 CYS HA 5.000 . 5.000 3.516 3.063 3.935 . 0 0 "[ . 1 .]" 1
513 1 47 GLY QA 1 48 ASP HA . . 5.600 4.411 4.361 4.456 . 0 0 "[ . 1 .]" 1
514 1 46 THR HA 1 47 GLY H 6.000 . 6.000 2.391 2.278 2.523 . 0 0 "[ . 1 .]" 1
515 1 48 ASP HA 1 49 GLU QB 6.000 . 6.720 4.176 3.824 4.412 . 0 0 "[ . 1 .]" 1
516 1 48 ASP HA 1 50 THR MG 6.000 . 7.200 5.248 4.671 5.865 . 0 0 "[ . 1 .]" 1
517 1 48 ASP QB 1 50 THR MG 5.000 . 6.720 2.958 2.386 3.996 . 0 0 "[ . 1 .]" 1
518 1 47 GLY QA 1 48 ASP H 6.000 . 6.720 2.499 2.377 2.587 . 0 0 "[ . 1 .]" 1
519 1 48 ASP H 1 49 GLU H 4.000 . 4.000 2.573 2.510 2.625 . 0 0 "[ . 1 .]" 1
520 1 47 GLY QA 1 49 GLU HA 5.000 . 5.600 5.046 4.923 5.092 . 0 0 "[ . 1 .]" 1
521 1 19 VAL QG 1 49 GLU QB 6.000 . 9.072 4.935 4.189 5.491 . 0 0 "[ . 1 .]" 1
522 1 28 ARG QD 1 49 GLU QB 5.000 . 6.272 4.894 4.686 5.022 . 0 0 "[ . 1 .]" 1
523 1 46 THR MG 1 49 GLU H 5.000 . 6.000 4.537 4.346 4.801 . 0 0 "[ . 1 .]" 1
524 1 46 THR H 1 49 GLU H 5.000 . 5.000 3.903 3.558 4.588 . 0 0 "[ . 1 .]" 1
525 1 48 ASP QB 1 49 GLU H 5.000 . 5.600 3.568 3.489 3.633 . 0 0 "[ . 1 .]" 1
526 1 49 GLU H 1 49 GLU HA 2.500 . 2.500 2.327 2.305 2.342 . 0 0 "[ . 1 .]" 1
527 1 49 GLU H 1 49 GLU QG 5.000 . 5.000 2.888 2.540 3.334 . 0 0 "[ . 1 .]" 1
528 1 49 GLU H 1 50 THR HA 6.000 . 6.000 5.229 5.078 5.345 . 0 0 "[ . 1 .]" 1
529 1 49 GLU H 1 50 THR H . . 4.000 2.595 2.410 2.737 . 0 0 "[ . 1 .]" 1
530 1 5 SER HA 1 7 LEU HA 6.000 . 6.000 6.032 6.019 6.051 0.051 9 0 "[ . 1 .]" 1
531 1 5 SER HA 1 8 ALA MB 5.000 . 6.000 1.975 1.822 2.385 . 0 0 "[ . 1 .]" 1
532 1 2 THR HB 1 5 SER H 6.000 . 6.000 2.390 2.005 2.994 . 0 0 "[ . 1 .]" 1
533 1 2 THR MG 1 5 SER H 6.000 . 7.200 2.784 2.232 3.114 . 0 0 "[ . 1 .]" 1
534 1 3 VAL QG 1 5 SER H 6.000 . 8.100 4.601 4.030 4.978 . 0 0 "[ . 1 .]" 1
535 1 3 VAL H 1 5 SER H 6.000 . 6.000 4.520 3.990 4.939 . 0 0 "[ . 1 .]" 1
536 1 4 GLU QB 1 5 SER H 2.500 . 2.800 2.462 2.268 2.540 . 0 0 "[ . 1 .]" 1
537 1 5 SER H 1 6 CYS H 2.500 . 2.500 2.532 2.425 2.598 0.098 9 0 "[ . 1 .]" 1
538 1 19 VAL HB 1 50 THR HA 4.000 . 4.000 4.000 3.866 4.068 0.068 1 0 "[ . 1 .]" 1
539 1 46 THR H 1 50 THR H 6.000 . 6.000 4.402 3.607 5.121 . 0 0 "[ . 1 .]" 1
540 1 48 ASP QB 1 50 THR H 5.000 . 5.600 3.131 2.626 3.914 . 0 0 "[ . 1 .]" 1
541 1 49 GLU HA 1 50 THR H 5.000 . 5.000 3.090 2.695 3.357 . 0 0 "[ . 1 .]" 1
542 1 49 GLU QB 1 50 THR H 5.000 . 5.600 3.646 3.359 3.905 . 0 0 "[ . 1 .]" 1
543 1 50 THR H 1 50 THR MG 3.000 . 3.600 2.758 2.118 3.034 . 0 0 "[ . 1 .]" 1
544 1 50 THR H 1 51 GLN H 3.000 . 3.000 2.519 2.238 2.831 . 0 0 "[ . 1 .]" 1
545 1 51 GLN HA 1 51 GLN QG . . 3.000 2.555 2.266 2.682 . 0 0 "[ . 1 .]" 1
546 1 46 THR MG 1 51 GLN QB 5.000 . 6.720 2.204 2.007 2.674 . 0 0 "[ . 1 .]" 1
547 1 19 VAL QG 1 51 GLN H 5.000 . 6.750 4.788 3.997 5.040 . 0 0 "[ . 1 .]" 1
548 1 49 GLU HA 1 51 GLN H 5.000 . 5.000 3.673 3.457 4.031 . 0 0 "[ . 1 .]" 1
549 1 50 THR HA 1 51 GLN H 5.000 . 5.000 3.539 3.501 3.586 . 0 0 "[ . 1 .]" 1
550 1 50 THR MG 1 51 GLN H 5.000 . 6.000 3.558 1.833 4.262 . 0 0 "[ . 1 .]" 1
551 1 51 GLN H 1 51 GLN QB 3.000 . 3.360 2.686 2.439 2.829 . 0 0 "[ . 1 .]" 1
552 1 51 GLN H 1 51 GLN QG 5.000 . 5.000 2.427 1.968 2.939 . 0 0 "[ . 1 .]" 1
553 1 51 GLN H 1 52 CYS HA 5.000 . 5.000 5.038 4.940 5.099 0.099 7 0 "[ . 1 .]" 1
554 1 17 THR HB 1 52 CYS HA 6.000 . 6.000 6.095 6.061 6.138 0.138 9 0 "[ . 1 .]" 1
555 1 28 ARG QG 1 52 CYS QB 6.000 . 7.526 4.382 3.926 5.674 . 0 0 "[ . 1 .]" 1
556 1 44 VAL HB 1 52 CYS QB 6.000 . 6.720 5.390 4.191 6.161 . 0 0 "[ . 1 .]" 1
557 1 45 CYS QB 1 52 CYS QB 5.000 . 6.272 3.620 2.082 4.242 . 0 0 "[ . 1 .]" 1
558 1 52 CYS QB 1 56 TRP HH2 . . 4.480 1.918 1.802 2.866 . 0 0 "[ . 1 .]" 1
559 1 52 CYS QB 1 56 TRP HZ2 4.000 . 4.480 1.984 1.804 2.304 . 0 0 "[ . 1 .]" 1
560 1 52 CYS QB 1 56 TRP HZ3 . . 5.600 4.187 3.929 5.016 . 0 0 "[ . 1 .]" 1
561 1 17 THR MG 1 52 CYS H 5.000 . 6.000 4.647 4.320 5.020 . 0 0 "[ . 1 .]" 1
562 1 19 VAL HB 1 52 CYS H 5.000 . 5.000 4.412 3.856 4.830 . 0 0 "[ . 1 .]" 1
563 1 19 VAL QG 1 52 CYS H 4.000 . 5.400 2.536 2.257 2.724 . 0 0 "[ . 1 .]" 1
564 1 51 GLN HA 1 52 CYS H 3.000 . 3.000 2.292 2.250 2.369 . 0 0 "[ . 1 .]" 1
565 1 51 GLN QB 1 52 CYS H 3.000 . 3.360 3.030 2.874 3.102 . 0 0 "[ . 1 .]" 1
566 1 51 GLN QG 1 52 CYS H 5.000 . 5.000 4.380 4.114 4.488 . 0 0 "[ . 1 .]" 1
567 1 52 CYS H 1 52 CYS HA 3.000 . 3.000 2.939 2.900 2.959 . 0 0 "[ . 1 .]" 1
568 1 53 TYR HA 1 53 TYR QD . . 4.480 3.023 2.763 3.232 . 0 0 "[ . 1 .]" 1
569 1 15 SER HA 1 53 TYR QB 5.000 . 5.600 4.450 4.191 4.805 . 0 0 "[ . 1 .]" 1
570 1 53 TYR QB 1 53 TYR QD . . 3.136 2.157 2.155 2.161 . 0 0 "[ . 1 .]" 1
571 1 53 TYR QD 1 54 GLY QA 5.000 . 6.272 3.418 2.961 3.674 . 0 0 "[ . 1 .]" 1
572 1 53 TYR QD 1 56 TRP HZ2 6.000 . 6.720 5.311 5.124 5.499 . 0 0 "[ . 1 .]" 1
573 1 13 GLU QG 1 53 TYR QE 4.000 . 5.018 4.021 3.997 4.058 . 0 0 "[ . 1 .]" 1
574 1 44 VAL QG 1 53 TYR QE 6.000 . 6.720 3.653 2.905 4.411 . 0 0 "[ . 1 .]" 1
575 1 53 TYR QE 1 54 GLY QA 6.000 . 7.526 3.302 2.740 3.641 . 0 0 "[ . 1 .]" 1
576 1 43 VAL QG 1 53 TYR H 5.000 . 6.750 2.538 1.945 3.502 . 0 0 "[ . 1 .]" 1
577 1 44 VAL HB 1 53 TYR H 5.000 . 5.000 3.262 2.447 4.560 . 0 0 "[ . 1 .]" 1
578 1 44 VAL QG 1 53 TYR H 5.000 . 5.000 3.087 1.752 3.689 . 0 0 "[ . 1 .]" 1
579 1 45 CYS HA 1 53 TYR H 5.000 . 5.000 3.898 3.546 4.134 . 0 0 "[ . 1 .]" 1
580 1 52 CYS HA 1 53 TYR H 2.500 . 2.500 2.379 2.298 2.500 0.000 1 0 "[ . 1 .]" 1
581 1 52 CYS QB 1 53 TYR H 5.000 . 5.600 2.885 2.236 3.339 . 0 0 "[ . 1 .]" 1
582 1 53 TYR H 1 53 TYR QB 3.000 . 3.360 2.634 2.572 2.749 . 0 0 "[ . 1 .]" 1
583 1 13 GLU QG 1 54 GLY H 6.000 . 6.720 5.899 5.827 6.009 . 0 0 "[ . 1 .]" 1
584 1 15 SER HA 1 54 GLY H 6.000 . 6.000 3.518 3.415 3.636 . 0 0 "[ . 1 .]" 1
585 1 53 TYR HA 1 54 GLY H 3.000 . 3.000 2.379 2.318 2.485 . 0 0 "[ . 1 .]" 1
586 1 53 TYR QB 1 54 GLY H 5.000 . 5.600 3.367 3.243 3.504 . 0 0 "[ . 1 .]" 1
587 1 53 TYR QD 1 54 GLY H 5.000 . 5.600 2.577 1.913 2.924 . 0 0 "[ . 1 .]" 1
588 1 54 GLY H 1 56 TRP HD1 5.000 . 5.000 3.568 3.395 3.702 . 0 0 "[ . 1 .]" 1
589 1 54 GLY H 1 56 TRP HE1 . . 3.000 2.004 1.858 2.103 . 0 0 "[ . 1 .]" 1
590 1 12 THR MG 1 55 THR HA 4.000 . 4.800 2.101 1.842 2.421 . 0 0 "[ . 1 .]" 1
591 1 13 GLU QB 1 55 THR HA 5.000 . 5.600 4.774 4.720 4.825 . 0 0 "[ . 1 .]" 1
592 1 55 THR HA 1 56 TRP HD1 6.000 . 6.000 2.903 2.660 3.126 . 0 0 "[ . 1 .]" 1
593 1 11 HIS QB 1 55 THR HB 6.000 . 6.720 6.119 6.106 6.139 . 0 0 "[ . 1 .]" 1
594 1 13 GLU QG 1 55 THR MG 5.000 . 6.720 4.046 3.736 4.320 . 0 0 "[ . 1 .]" 1
595 1 55 THR MG 1 57 VAL QG 5.000 . 8.100 4.354 4.188 5.036 . 0 0 "[ . 1 .]" 1
596 1 39 ALA MB 1 55 THR H 6.000 . 7.200 4.365 3.697 5.028 . 0 0 "[ . 1 .]" 1
597 1 43 VAL QG 1 55 THR H 5.000 . 6.750 2.787 2.248 3.159 . 0 0 "[ . 1 .]" 1
598 1 54 GLY QA 1 55 THR H 3.000 . 3.360 2.183 2.155 2.221 . 0 0 "[ . 1 .]" 1
599 1 55 THR H 1 55 THR HB 4.000 . 4.000 3.681 3.623 3.770 . 0 0 "[ . 1 .]" 1
600 1 39 ALA MB 1 56 TRP HA 6.000 . 7.200 3.348 2.905 3.570 . 0 0 "[ . 1 .]" 1
601 1 13 GLU HA 1 56 TRP HE1 6.000 . 6.000 6.074 5.988 6.111 0.111 2 0 "[ . 1 .]" 1
602 1 14 ASN QB 1 56 TRP HE1 5.000 . 5.600 5.019 4.987 5.036 . 0 0 "[ . 1 .]" 1
603 1 15 SER HA 1 56 TRP HE1 5.000 . 5.000 2.293 2.227 2.343 . 0 0 "[ . 1 .]" 1
604 1 16 PHE H 1 56 TRP HE1 5.000 . 5.000 4.093 3.891 4.192 . 0 0 "[ . 1 .]" 1
605 1 38 ASN HA 1 56 TRP HE3 6.000 . 6.000 3.525 3.181 3.655 . 0 0 "[ . 1 .]" 1
606 1 19 VAL HB 1 56 TRP HH2 6.000 . 6.000 3.395 3.105 3.940 . 0 0 "[ . 1 .]" 1
607 1 28 ARG QD 1 56 TRP HH2 6.000 . 6.720 4.596 3.902 5.464 . 0 0 "[ . 1 .]" 1
608 1 13 GLU HA 1 56 TRP H 5.000 . 5.000 4.193 4.150 4.253 . 0 0 "[ . 1 .]" 1
609 1 55 THR HA 1 56 TRP H 5.000 . 5.000 2.130 2.115 2.157 . 0 0 "[ . 1 .]" 1
610 1 55 THR MG 1 56 TRP H 5.000 . 6.000 3.791 3.663 3.945 . 0 0 "[ . 1 .]" 1
611 1 56 TRP H 1 56 TRP HD1 5.000 . 5.000 2.342 2.185 2.456 . 0 0 "[ . 1 .]" 1
612 1 53 TYR HA 1 56 TRP HZ2 5.000 . 5.000 2.728 2.490 3.142 . 0 0 "[ . 1 .]" 1
613 1 28 ARG QB 1 56 TRP HZ3 6.000 . 6.720 3.693 3.063 4.259 . 0 0 "[ . 1 .]" 1
614 1 28 ARG QG 1 56 TRP HZ3 5.000 . 5.600 2.726 2.186 4.998 . 0 0 "[ . 1 .]" 1
615 1 29 TYR HA 1 56 TRP HZ3 4.000 . 4.000 4.005 3.894 4.075 0.075 10 0 "[ . 1 .]" 1
616 1 57 VAL HA 1 58 PRO QD 2.500 . 2.800 1.849 1.802 1.893 . 0 0 "[ . 1 .]" 1
617 1 57 VAL HB 1 58 PRO QD 5.000 . 5.600 3.850 2.881 4.032 . 0 0 "[ . 1 .]" 1
618 1 12 THR MG 1 57 VAL QG 4.000 . 6.480 3.159 2.848 4.019 . 0 0 "[ . 1 .]" 1
619 1 57 VAL QG 1 58 PRO QB 5.000 . 7.560 4.143 3.971 4.947 . 0 0 "[ . 1 .]" 1
620 1 57 VAL QG 1 58 PRO QD 5.000 . 6.048 1.989 1.816 2.713 . 0 0 "[ . 1 .]" 1
621 1 37 TRP HE3 1 57 VAL H 5.000 . 5.000 4.881 4.783 4.972 . 0 0 "[ . 1 .]" 1
622 1 38 ASN QB 1 57 VAL H 6.000 . 6.720 4.239 3.543 4.984 . 0 0 "[ . 1 .]" 1
623 1 55 THR MG 1 57 VAL H 5.000 . 6.000 5.077 4.998 5.113 . 0 0 "[ . 1 .]" 1
624 1 56 TRP HA 1 57 VAL H 5.000 . 5.000 2.538 2.511 2.577 . 0 0 "[ . 1 .]" 1
625 1 56 TRP QB 1 57 VAL H 5.000 . 5.600 3.873 3.855 3.880 . 0 0 "[ . 1 .]" 1
626 1 57 VAL H 1 57 VAL HB 4.000 . 4.000 2.687 2.422 3.619 . 0 0 "[ . 1 .]" 1
627 1 57 VAL H 1 57 VAL QG 3.000 . 4.050 2.120 1.821 2.387 . 0 0 "[ . 1 .]" 1
628 1 58 PRO HA 1 59 ILE QG 5.000 . 6.000 4.242 3.699 4.522 . 0 0 "[ . 1 .]" 1
629 1 37 TRP HZ2 1 58 PRO QB 5.000 . 5.600 4.938 4.729 5.046 . 0 0 "[ . 1 .]" 1
630 1 37 TRP HZ3 1 58 PRO QB 5.000 . 5.600 4.342 3.832 4.989 . 0 0 "[ . 1 .]" 1
631 1 7 LEU QB 1 58 PRO QB 4.000 . 5.018 3.936 3.705 4.019 . 0 0 "[ . 1 .]" 1
632 1 37 TRP QB 1 58 PRO QD 5.000 . 6.272 4.416 4.225 4.563 . 0 0 "[ . 1 .]" 1
633 1 10 PRO QD 1 58 PRO QG 4.000 . 5.018 4.075 4.023 4.147 . 0 0 "[ . 1 .]" 1
634 1 11 HIS QB 1 58 PRO QG 5.000 . 6.272 3.882 3.779 4.126 . 0 0 "[ . 1 .]" 1
635 1 11 HIS HD1 1 58 PRO QG 5.000 . 5.600 2.574 2.171 3.110 . 0 0 "[ . 1 .]" 1
636 1 57 VAL QG 1 58 PRO QG 5.000 . 7.560 3.439 3.232 4.276 . 0 0 "[ . 1 .]" 1
637 1 7 LEU QD 1 59 ILE HA 5.000 . 6.750 2.080 1.727 2.861 . 0 0 "[ . 1 .]" 1
638 1 59 ILE HB 1 64 PRO QB 5.000 . 5.600 4.832 3.742 5.101 . 0 0 "[ . 1 .]" 1
639 1 59 ILE HB 1 65 GLU QG 6.000 . 6.000 4.806 2.902 5.390 . 0 0 "[ . 1 .]" 1
640 1 38 ASN QB 1 59 ILE MD 5.000 . 6.720 1.642 1.552 1.746 . 0 0 "[ . 1 .]" 1
641 1 27 ASP QB 1 59 ILE QG 5.000 . 6.720 5.198 4.168 5.387 . 0 0 "[ . 1 .]" 1
642 1 29 TYR QD 1 59 ILE QG 6.000 . 8.064 3.163 2.771 3.528 . 0 0 "[ . 1 .]" 1
643 1 29 TYR QE 1 59 ILE QG 6.000 . 8.064 2.122 1.829 2.544 . 0 0 "[ . 1 .]" 1
644 1 36 LEU QB 1 59 ILE QG 5.000 . 6.720 3.018 2.555 3.340 . 0 0 "[ . 1 .]" 1
645 1 36 LEU HG 1 59 ILE QG 5.000 . 6.000 3.775 3.169 4.335 . 0 0 "[ . 1 .]" 1
646 1 57 VAL QG 1 59 ILE QG 5.000 . 8.100 4.739 4.302 5.259 . 0 0 "[ . 1 .]" 1
647 1 59 ILE QG 1 60 GLY QA 6.000 . 8.064 3.136 2.938 3.941 . 0 0 "[ . 1 .]" 1
648 1 59 ILE QG 1 62 ALA HA 6.000 . 7.200 6.315 5.562 6.512 . 0 0 "[ . 1 .]" 1
649 1 29 TYR QD 1 59 ILE MG 5.000 . 6.720 4.627 3.894 5.003 . 0 0 "[ . 1 .]" 1
650 1 59 ILE MG 1 66 ASN QB 6.000 . 6.720 2.660 1.719 4.869 . 0 0 "[ . 1 .]" 1
651 1 36 LEU HG 1 59 ILE H 6.000 . 6.000 5.041 4.047 5.949 . 0 0 "[ . 1 .]" 1
652 1 37 TRP HA 1 59 ILE H 5.000 . 5.000 3.159 2.860 3.361 . 0 0 "[ . 1 .]" 1
653 1 58 PRO HA 1 59 ILE H 3.000 . 3.000 2.246 2.161 2.314 . 0 0 "[ . 1 .]" 1
654 1 58 PRO QB 1 59 ILE H 5.000 . 5.600 3.266 3.054 3.486 . 0 0 "[ . 1 .]" 1
655 1 59 ILE H 1 59 ILE MD 2.500 . 3.000 1.926 1.756 2.249 . 0 0 "[ . 1 .]" 1
656 1 59 ILE H 1 59 ILE QG 4.000 . 4.800 2.464 1.841 2.699 . 0 0 "[ . 1 .]" 1
657 1 59 ILE H 1 60 GLY H . . 2.500 1.932 1.838 2.207 . 0 0 "[ . 1 .]" 1
658 1 7 LEU HA 1 59 ILE H 6.000 . 6.000 5.152 4.741 5.643 . 0 0 "[ . 1 .]" 1
659 1 2 THR HB 1 6 CYS HA 6.000 . 6.000 5.950 5.509 6.075 0.075 4 0 "[ . 1 .]" 1
660 1 6 CYS HA 1 9 LYS QB 4.000 . 4.480 3.865 3.109 4.050 . 0 0 "[ . 1 .]" 1
661 1 6 CYS HA 1 9 LYS QD 4.000 . 4.480 2.562 2.003 3.076 . 0 0 "[ . 1 .]" 1
662 1 6 CYS HA 1 9 LYS QE 5.000 . 5.600 2.847 1.989 3.567 . 0 0 "[ . 1 .]" 1
663 1 6 CYS HA 1 9 LYS QG . . 5.600 2.254 1.814 2.801 . 0 0 "[ . 1 .]" 1
664 1 3 VAL QG 1 6 CYS QB 5.000 . 7.560 3.194 2.716 3.483 . 0 0 "[ . 1 .]" 1
665 1 6 CYS QB 1 61 LEU HA 6.000 . 6.720 3.493 3.073 3.955 . 0 0 "[ . 1 .]" 1
666 1 6 CYS QB 1 7 LEU HA 5.000 . 5.600 4.149 3.913 4.560 . 0 0 "[ . 1 .]" 1
667 1 6 CYS QB 1 9 LYS QD 5.000 . 5.018 3.799 3.306 4.070 . 0 0 "[ . 1 .]" 1
668 1 6 CYS QB 1 9 LYS QE 5.000 . 6.272 4.216 2.926 4.845 . 0 0 "[ . 1 .]" 1
669 1 2 THR HA 1 6 CYS H 5.000 . 5.000 5.089 4.907 5.167 0.167 5 0 "[ . 1 .]" 1
670 1 3 VAL HA 1 6 CYS H 5.000 . 5.000 3.502 3.135 3.750 . 0 0 "[ . 1 .]" 1
671 1 3 VAL HB 1 6 CYS H 6.000 . 6.000 5.791 5.431 6.027 0.027 6 0 "[ . 1 .]" 1
672 1 3 VAL QG 1 6 CYS H 6.000 . 8.100 4.444 4.140 4.663 . 0 0 "[ . 1 .]" 1
673 1 3 VAL H 1 6 CYS H 6.000 . 6.000 4.820 4.594 4.978 . 0 0 "[ . 1 .]" 1
674 1 4 GLU H 1 6 CYS H 5.000 . 5.000 4.181 3.945 4.427 . 0 0 "[ . 1 .]" 1
675 1 5 SER HA 1 6 CYS H 6.000 . 6.000 3.575 3.547 3.600 . 0 0 "[ . 1 .]" 1
676 1 5 SER QB 1 6 CYS H 5.000 . 5.600 2.569 2.330 3.272 . 0 0 "[ . 1 .]" 1
677 1 6 CYS H 1 6 CYS QB 3.000 . 3.360 2.267 2.074 2.617 . 0 0 "[ . 1 .]" 1
678 1 6 CYS H 1 7 LEU QB 5.000 . 5.600 4.878 4.776 5.010 . 0 0 "[ . 1 .]" 1
679 1 6 CYS H 1 7 LEU QD 6.000 . 8.100 4.668 4.462 4.796 . 0 0 "[ . 1 .]" 1
680 1 6 CYS H 1 7 LEU H 4.000 . 4.000 2.733 2.647 2.827 . 0 0 "[ . 1 .]" 1
681 1 6 CYS H 1 9 LYS QG 6.000 . 6.720 4.302 3.826 4.830 . 0 0 "[ . 1 .]" 1
682 1 7 LEU QD 1 60 GLY QA 6.000 . 9.072 3.358 2.000 4.151 . 0 0 "[ . 1 .]" 1
683 1 36 LEU QB 1 60 GLY H 4.000 . 4.480 2.374 2.191 2.926 . 0 0 "[ . 1 .]" 1
684 1 37 TRP HA 1 60 GLY H 6.000 . 6.000 4.450 4.280 4.552 . 0 0 "[ . 1 .]" 1
685 1 58 PRO HA 1 60 GLY H 5.000 . 5.000 3.958 3.859 4.066 . 0 0 "[ . 1 .]" 1
686 1 59 ILE HB 1 60 GLY H 5.000 . 5.000 3.712 3.191 3.912 . 0 0 "[ . 1 .]" 1
687 1 59 ILE QG 1 60 GLY H 5.000 . 6.000 1.963 1.821 2.200 . 0 0 "[ . 1 .]" 1
688 1 6 CYS QB 1 60 GLY H 5.000 . 5.600 4.826 4.558 5.032 . 0 0 "[ . 1 .]" 1
689 1 60 GLY H 1 61 LEU H 6.000 . 6.000 4.300 4.024 4.498 . 0 0 "[ . 1 .]" 1
690 1 7 LEU QD 1 60 GLY H 5.000 . 6.750 3.449 2.508 4.008 . 0 0 "[ . 1 .]" 1
691 1 1 GLU HA 1 61 LEU HA 6.000 . 6.000 5.985 5.762 6.045 0.045 14 0 "[ . 1 .]" 1
692 1 6 CYS HA 1 61 LEU HA 6.000 . 6.000 5.825 5.247 6.049 0.049 1 0 "[ . 1 .]" 1
693 1 61 LEU HA 1 61 LEU QD 3.000 . 4.050 1.995 1.815 2.470 . 0 0 "[ . 1 .]" 1
694 1 61 LEU QB 1 64 PRO QB 6.000 . 7.526 5.674 4.971 5.892 . 0 0 "[ . 1 .]" 1
695 1 61 LEU QB 1 64 PRO QG 6.000 . 6.272 4.035 3.784 5.007 . 0 0 "[ . 1 .]" 1
696 1 3 VAL HA 1 61 LEU H 6.000 . 6.000 5.421 5.088 5.757 . 0 0 "[ . 1 .]" 1
697 1 3 VAL QG 1 61 LEU H 4.000 . 5.400 3.892 3.655 4.035 . 0 0 "[ . 1 .]" 1
698 1 60 GLY QA 1 61 LEU H 5.000 . 5.600 2.227 2.154 2.286 . 0 0 "[ . 1 .]" 1
699 1 61 LEU H 1 61 LEU HG 2.500 . 2.500 2.079 1.942 2.299 . 0 0 "[ . 1 .]" 1
700 1 34 GLY QA 1 62 ALA HA 6.000 . 6.720 5.478 4.805 5.767 . 0 0 "[ . 1 .]" 1
701 1 61 LEU QD 1 62 ALA HA 6.000 . 8.100 5.484 5.327 5.610 . 0 0 "[ . 1 .]" 1
702 1 36 LEU QB 1 62 ALA MB 6.000 . 8.064 3.415 3.343 3.508 . 0 0 "[ . 1 .]" 1
703 1 36 LEU QD 1 62 ALA MB 5.000 . 8.100 3.458 2.997 4.088 . 0 0 "[ . 1 .]" 1
704 1 35 CYS HA 1 62 ALA H 5.000 . 5.000 4.849 4.659 5.042 0.042 7 0 "[ . 1 .]" 1
705 1 60 GLY H 1 62 ALA H 5.000 . 5.000 4.980 4.840 5.063 0.063 14 0 "[ . 1 .]" 1
706 1 61 LEU HA 1 62 ALA H 5.000 . 5.000 3.540 3.471 3.612 . 0 0 "[ . 1 .]" 1
707 1 61 LEU QB 1 62 ALA H 4.000 . 4.480 2.830 2.585 3.022 . 0 0 "[ . 1 .]" 1
708 1 61 LEU QD 1 62 ALA H 5.000 . 6.750 4.040 3.976 4.109 . 0 0 "[ . 1 .]" 1
709 1 61 LEU HG 1 62 ALA H 4.000 . 4.000 3.956 3.818 4.052 0.052 2 0 "[ . 1 .]" 1
710 1 62 ALA H 1 62 ALA MB 3.000 . 3.600 2.889 2.594 2.971 . 0 0 "[ . 1 .]" 1
711 1 62 ALA H 1 63 ILE H 6.000 . 6.000 2.428 2.094 3.711 . 0 0 "[ . 1 .]" 1
712 1 31 ASN QB 1 63 ILE HA 6.000 . 6.720 4.889 4.006 5.570 . 0 0 "[ . 1 .]" 1
713 1 63 ILE HA 1 64 PRO QD 4.000 . 4.480 3.277 2.316 3.474 . 0 0 "[ . 1 .]" 1
714 1 36 LEU QD 1 63 ILE HB 5.000 . 6.750 4.126 3.677 5.039 . 0 0 "[ . 1 .]" 1
715 1 63 ILE HB 1 63 ILE QG 2.500 . 3.000 2.222 2.190 2.530 . 0 0 "[ . 1 .]" 1
716 1 63 ILE HB 1 64 PRO QD 5.000 . 5.600 2.950 2.286 4.208 . 0 0 "[ . 1 .]" 1
717 1 31 ASN QB 1 63 ILE QG 6.000 . 8.064 4.096 3.179 5.101 . 0 0 "[ . 1 .]" 1
718 1 36 LEU QB 1 63 ILE QG 5.000 . 6.720 5.179 3.889 5.360 . 0 0 "[ . 1 .]" 1
719 1 63 ILE MD 1 63 ILE MG 2.500 . 3.600 1.955 1.551 2.496 . 0 0 "[ . 1 .]" 1
720 1 63 ILE MG 1 64 PRO QB 5.000 . 6.720 3.695 3.100 5.065 . 0 0 "[ . 1 .]" 1
721 1 63 ILE MG 1 65 GLU QB 6.000 . 8.064 5.701 4.720 5.897 . 0 0 "[ . 1 .]" 1
722 1 20 TRP HH2 1 63 ILE H 5.000 . 5.000 3.575 2.760 4.996 . 0 0 "[ . 1 .]" 1
723 1 36 LEU QD 1 63 ILE H 5.000 . 6.750 2.512 1.664 4.306 . 0 0 "[ . 1 .]" 1
724 1 36 LEU HG 1 63 ILE H 5.000 . 5.000 3.211 1.759 3.845 . 0 0 "[ . 1 .]" 1
725 1 62 ALA HA 1 63 ILE H 4.000 . 4.000 2.918 2.166 3.646 . 0 0 "[ . 1 .]" 1
726 1 63 ILE H 1 63 ILE MD 5.000 . 6.000 4.200 4.081 4.637 . 0 0 "[ . 1 .]" 1
727 1 63 ILE H 1 63 ILE QG 4.000 . 4.800 3.974 2.496 4.154 . 0 0 "[ . 1 .]" 1
728 1 25 THR HB 1 64 PRO HA 5.000 . 5.000 4.743 3.710 5.135 0.135 15 0 "[ . 1 .]" 1
729 1 61 LEU HA 1 64 PRO QD 6.000 . 6.720 4.868 4.725 5.591 . 0 0 "[ . 1 .]" 1
730 1 63 ILE MG 1 64 PRO QD 5.000 . 6.720 2.615 1.925 3.650 . 0 0 "[ . 1 .]" 1
731 1 26 LEU QB 1 65 GLU QB 4.000 . 5.018 4.050 3.921 4.214 . 0 0 "[ . 1 .]" 1
732 1 65 GLU QB 1 67 ALA MB 5.000 . 6.720 4.221 3.358 4.924 . 0 0 "[ . 1 .]" 1
733 1 59 ILE QG 1 65 GLU QG 6.000 . 7.200 4.434 2.130 5.638 . 0 0 "[ . 1 .]" 1
734 1 63 ILE MG 1 65 GLU H 5.000 . 6.000 4.825 4.533 5.088 . 0 0 "[ . 1 .]" 1
735 1 64 PRO HA 1 65 GLU H 4.000 . 4.000 2.342 2.157 3.502 . 0 0 "[ . 1 .]" 1
736 1 64 PRO QB 1 65 GLU H 5.000 . 5.600 2.895 1.981 3.233 . 0 0 "[ . 1 .]" 1
737 1 64 PRO QD 1 65 GLU H 5.000 . 5.600 4.868 2.882 5.020 . 0 0 "[ . 1 .]" 1
738 1 64 PRO QG 1 65 GLU H 5.000 . 5.600 4.419 1.987 4.787 . 0 0 "[ . 1 .]" 1
739 1 65 GLU H 1 65 GLU QG 5.000 . 5.000 2.732 2.011 4.297 . 0 0 "[ . 1 .]" 1
740 1 65 GLU QB 1 66 ASN QB 6.000 . 7.526 3.821 3.482 4.297 . 0 0 "[ . 1 .]" 1
741 1 65 GLU HA 1 66 ASN H 5.000 . 5.000 2.916 2.673 3.553 . 0 0 "[ . 1 .]" 1
742 1 65 GLU HA 1 67 ALA H 5.000 . 5.000 4.606 4.255 4.876 . 0 0 "[ . 1 .]" 1
743 1 65 GLU H 1 67 ALA H 5.000 . 5.000 4.322 2.577 5.019 0.019 8 0 "[ . 1 .]" 1
744 1 65 GLU H 1 69 ALA H 5.000 . 5.000 4.625 3.348 5.018 0.018 10 0 "[ . 1 .]" 1
745 1 69 ALA H 1 70 HIS H 5.000 . 5.000 3.764 2.267 4.667 . 0 0 "[ . 1 .]" 1
746 1 7 LEU HA 1 58 PRO QB 5.000 . 5.600 2.125 1.834 2.225 . 0 0 "[ . 1 .]" 1
747 1 7 LEU HA 1 58 PRO QG 5.000 . 5.600 2.478 2.176 2.948 . 0 0 "[ . 1 .]" 1
748 1 7 LEU HA 1 7 LEU QD 3.000 . 4.050 2.031 1.765 2.333 . 0 0 "[ . 1 .]" 1
749 1 7 LEU HA 1 9 LYS QB 6.000 . 6.720 3.429 3.291 3.615 . 0 0 "[ . 1 .]" 1
750 1 7 LEU HA 1 9 LYS QD 6.000 . 6.720 4.578 4.024 5.915 . 0 0 "[ . 1 .]" 1
751 1 3 VAL QG 1 7 LEU QB 5.000 . 7.560 3.583 2.840 4.119 . 0 0 "[ . 1 .]" 1
752 1 7 LEU QB 1 9 LYS QB 5.000 . 6.272 4.969 4.820 5.025 . 0 0 "[ . 1 .]" 1
753 1 3 VAL QG 1 7 LEU QD 3.000 . 5.468 1.727 1.603 1.948 . 0 0 "[ . 1 .]" 1
754 1 3 VAL QG 1 7 LEU HG 5.000 . 6.750 2.269 1.820 2.811 . 0 0 "[ . 1 .]" 1
755 1 3 VAL HA 1 7 LEU H 6.000 . 6.000 3.824 3.445 4.065 . 0 0 "[ . 1 .]" 1
756 1 3 VAL QG 1 7 LEU H 6.000 . 8.100 3.920 3.639 4.179 . 0 0 "[ . 1 .]" 1
757 1 4 GLU HA 1 7 LEU H 5.000 . 5.000 3.947 3.730 4.201 . 0 0 "[ . 1 .]" 1
758 1 4 GLU QB 1 7 LEU H 6.000 . 6.720 4.985 4.856 5.133 . 0 0 "[ . 1 .]" 1
759 1 5 SER H 1 7 LEU H 5.000 . 5.000 3.763 3.648 3.946 . 0 0 "[ . 1 .]" 1
760 1 6 CYS QB 1 7 LEU H 4.000 . 4.480 2.907 2.689 3.057 . 0 0 "[ . 1 .]" 1
761 1 7 LEU H 1 7 LEU HA 3.000 . 3.000 2.963 2.944 2.981 . 0 0 "[ . 1 .]" 1
762 1 7 LEU H 1 7 LEU QB 2.500 . 2.800 2.473 2.423 2.530 . 0 0 "[ . 1 .]" 1
763 1 7 LEU H 1 7 LEU HG 3.000 . 3.000 2.458 2.306 2.735 . 0 0 "[ . 1 .]" 1
764 1 7 LEU H 1 8 ALA H 4.000 . 4.000 2.157 1.994 2.401 . 0 0 "[ . 1 .]" 1
765 1 7 LEU QB 1 8 ALA HA 6.000 . 6.720 4.019 3.950 4.114 . 0 0 "[ . 1 .]" 1
766 1 8 ALA H 1 11 HIS HD1 6.000 . 6.000 5.384 5.222 5.465 . 0 0 "[ . 1 .]" 1
767 1 5 SER HA 1 8 ALA H 5.000 . 5.000 2.766 2.704 3.019 . 0 0 "[ . 1 .]" 1
768 1 8 ALA H 1 58 PRO QB 5.000 . 5.600 5.052 4.975 5.086 . 0 0 "[ . 1 .]" 1
769 1 6 CYS HA 1 8 ALA H 5.000 . 5.000 4.454 4.259 5.013 0.013 6 0 "[ . 1 .]" 1
770 1 7 LEU HA 1 8 ALA H 5.000 . 5.000 3.482 3.439 3.574 . 0 0 "[ . 1 .]" 1
771 1 7 LEU QB 1 8 ALA H 4.000 . 4.480 2.801 2.491 2.961 . 0 0 "[ . 1 .]" 1
772 1 7 LEU QD 1 8 ALA H 6.000 . 8.100 4.113 4.031 4.169 . 0 0 "[ . 1 .]" 1
773 1 8 ALA H 1 8 ALA MB 2.500 . 3.000 2.195 2.077 2.325 . 0 0 "[ . 1 .]" 1
774 1 8 ALA H 1 9 LYS QB 6.000 . 6.720 4.271 3.973 4.467 . 0 0 "[ . 1 .]" 1
775 1 8 ALA H 1 9 LYS H 3.000 . 3.000 2.494 2.375 3.038 0.038 6 0 "[ . 1 .]" 1
776 1 9 LYS QB 1 10 PRO QD 5.000 . 6.272 1.552 1.509 1.623 . 0 0 "[ . 1 .]" 1
777 1 9 LYS QB 1 57 VAL HA 6.000 . 6.720 6.027 5.888 6.130 . 0 0 "[ . 1 .]" 1
778 1 9 LYS QE 1 37 TRP HH2 5.000 . 5.600 3.881 2.788 4.683 . 0 0 "[ . 1 .]" 1
779 1 9 LYS HA 1 9 LYS QE 5.000 . 5.600 4.446 3.119 4.846 . 0 0 "[ . 1 .]" 1
780 1 7 LEU QD 1 9 LYS QG 5.000 . 7.560 4.989 4.756 5.045 . 0 0 "[ . 1 .]" 1
781 1 7 LEU HA 1 9 LYS H 5.000 . 5.000 3.492 3.284 5.074 0.074 6 0 "[ . 1 .]" 1
782 1 8 ALA HA 1 9 LYS H 5.000 . 5.000 3.341 3.136 3.548 . 0 0 "[ . 1 .]" 1
783 1 8 ALA MB 1 9 LYS H 4.000 . 4.800 3.041 2.003 3.385 . 0 0 "[ . 1 .]" 1
784 1 9 LYS H 1 9 LYS QB 3.000 . 3.360 2.227 1.921 2.812 . 0 0 "[ . 1 .]" 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 46
_Distance_constraint_stats_list.Viol_count 267
_Distance_constraint_stats_list.Viol_total 229.840
_Distance_constraint_stats_list.Viol_max 0.207
_Distance_constraint_stats_list.Viol_rms 0.0401
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0222
_Distance_constraint_stats_list.Viol_average_violations_only 0.0574
_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 2 THR 0.000 0.000 . 0 "[ . 1 .]"
1 3 VAL 0.171 0.036 9 0 "[ . 1 .]"
1 5 SER 0.073 0.052 14 0 "[ . 1 .]"
1 6 CYS 0.000 0.000 . 0 "[ . 1 .]"
1 7 LEU 0.171 0.036 9 0 "[ . 1 .]"
1 9 LYS 0.073 0.052 14 0 "[ . 1 .]"
1 12 THR 0.000 0.000 . 0 "[ . 1 .]"
1 14 ASN 0.619 0.073 7 0 "[ . 1 .]"
1 16 PHE 0.835 0.064 11 0 "[ . 1 .]"
1 20 TRP 0.393 0.054 15 0 "[ . 1 .]"
1 22 ASP 2.420 0.155 7 0 "[ . 1 .]"
1 27 ASP 2.420 0.155 7 0 "[ . 1 .]"
1 28 ARG 2.395 0.207 15 0 "[ . 1 .]"
1 29 TYR 0.393 0.054 15 0 "[ . 1 .]"
1 30 ALA 0.859 0.070 13 0 "[ . 1 .]"
1 32 TYR 0.861 0.098 15 0 "[ . 1 .]"
1 35 CYS 0.861 0.098 15 0 "[ . 1 .]"
1 36 LEU 2.931 0.162 15 0 "[ . 1 .]"
1 37 TRP 0.859 0.070 13 0 "[ . 1 .]"
1 38 ASN 1.395 0.151 15 0 "[ . 1 .]"
1 39 ALA 2.395 0.207 15 0 "[ . 1 .]"
1 44 VAL 0.475 0.081 8 0 "[ . 1 .]"
1 46 THR 1.895 0.137 13 0 "[ . 1 .]"
1 51 GLN 1.895 0.137 13 0 "[ . 1 .]"
1 52 CYS 0.835 0.064 11 0 "[ . 1 .]"
1 53 TYR 0.475 0.081 8 0 "[ . 1 .]"
1 54 GLY 0.619 0.073 7 0 "[ . 1 .]"
1 56 TRP 0.000 0.000 . 0 "[ . 1 .]"
1 57 VAL 1.395 0.151 15 0 "[ . 1 .]"
1 60 GLY 2.931 0.162 15 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 30 ALA O 1 37 TRP H 2.000 . 2.300 2.283 2.105 2.361 0.061 11 0 "[ . 1 .]" 2
2 1 30 ALA O 1 37 TRP N 3.000 2.500 3.300 3.243 3.026 3.338 0.038 11 0 "[ . 1 .]" 2
3 1 30 ALA H 1 37 TRP O 2.000 . 2.300 2.336 2.279 2.370 0.070 13 0 "[ . 1 .]" 2
4 1 30 ALA N 1 37 TRP O 3.000 2.500 3.300 3.239 3.166 3.303 0.003 2 0 "[ . 1 .]" 2
5 1 32 TYR H 1 35 CYS O 2.000 . 2.300 2.100 2.049 2.195 . 0 0 "[ . 1 .]" 2
6 1 32 TYR N 1 35 CYS O 3.000 2.500 3.300 2.855 2.639 3.012 . 0 0 "[ . 1 .]" 2
7 1 32 TYR O 1 35 CYS H 2.000 . 2.300 2.331 2.092 2.398 0.098 15 0 "[ . 1 .]" 2
8 1 32 TYR O 1 35 CYS N 3.000 2.500 3.300 3.284 3.069 3.330 0.030 10 0 "[ . 1 .]" 2
9 1 38 ASN H 1 57 VAL O 2.000 . 2.300 2.074 2.023 2.172 . 0 0 "[ . 1 .]" 2
10 1 38 ASN N 1 57 VAL O 3.000 2.500 3.300 2.594 2.501 2.729 . 0 0 "[ . 1 .]" 2
11 1 38 ASN O 1 57 VAL H 2.000 . 2.300 2.393 2.343 2.451 0.151 15 0 "[ . 1 .]" 2
12 1 38 ASN O 1 57 VAL N 3.000 2.500 3.300 2.775 2.713 2.880 . 0 0 "[ . 1 .]" 2
13 1 12 THR O 1 56 TRP H 2.000 . 2.300 2.039 2.015 2.063 . 0 0 "[ . 1 .]" 2
14 1 12 THR O 1 56 TRP N 3.000 2.500 3.300 2.982 2.951 3.024 . 0 0 "[ . 1 .]" 2
15 1 20 TRP O 1 29 TYR H 2.000 . 2.300 2.256 2.105 2.330 0.030 8 0 "[ . 1 .]" 2
16 1 20 TRP O 1 29 TYR N 3.000 2.500 3.300 3.216 3.064 3.298 . 0 0 "[ . 1 .]" 2
17 1 20 TRP H 1 29 TYR O 2.000 . 2.300 2.287 2.162 2.354 0.054 15 0 "[ . 1 .]" 2
18 1 20 TRP N 1 29 TYR O 3.000 2.500 3.300 3.253 3.135 3.329 0.029 15 0 "[ . 1 .]" 2
19 1 14 ASN O 1 54 GLY H 2.000 . 2.300 2.340 2.310 2.373 0.073 7 0 "[ . 1 .]" 2
20 1 14 ASN O 1 54 GLY N 3.000 2.500 3.300 3.278 3.241 3.313 0.013 7 0 "[ . 1 .]" 2
21 1 36 LEU O 1 60 GLY H 2.000 . 2.300 2.412 2.378 2.462 0.162 15 0 "[ . 1 .]" 2
22 1 36 LEU O 1 60 GLY N 3.000 2.500 3.300 3.381 3.340 3.443 0.143 15 0 "[ . 1 .]" 2
23 1 36 LEU H 1 60 GLY O 2.000 . 2.300 2.107 2.063 2.332 0.032 6 0 "[ . 1 .]" 2
24 1 36 LEU N 1 60 GLY O 3.000 2.500 3.300 2.855 2.569 3.288 . 0 0 "[ . 1 .]" 2
25 1 28 ARG O 1 39 ALA H 2.000 . 2.300 2.136 2.078 2.323 0.023 10 0 "[ . 1 .]" 2
26 1 28 ARG O 1 39 ALA N 3.000 2.500 3.300 2.924 2.865 3.114 . 0 0 "[ . 1 .]" 2
27 1 28 ARG H 1 39 ALA O 2.000 . 2.300 2.456 2.424 2.507 0.207 15 0 "[ . 1 .]" 2
28 1 28 ARG N 1 39 ALA O 3.000 2.500 3.300 3.267 3.192 3.312 0.012 8 0 "[ . 1 .]" 2
29 1 3 VAL O 1 7 LEU H 2.000 . 2.300 2.226 2.099 2.336 0.036 9 0 "[ . 1 .]" 2
30 1 3 VAL O 1 7 LEU N 3.000 2.500 3.300 2.974 2.831 3.129 . 0 0 "[ . 1 .]" 2
31 1 5 SER O 1 9 LYS H 2.000 . 2.300 2.196 2.076 2.321 0.021 5 0 "[ . 1 .]" 2
32 1 5 SER O 1 9 LYS N 3.000 2.500 3.300 2.831 2.448 2.986 0.052 14 0 "[ . 1 .]" 2
33 1 16 PHE H 1 52 CYS O 2.000 . 2.300 2.327 2.266 2.364 0.064 11 0 "[ . 1 .]" 2
34 1 16 PHE N 1 52 CYS O 3.000 2.500 3.300 3.293 3.241 3.335 0.035 11 0 "[ . 1 .]" 2
35 1 16 PHE O 1 52 CYS H 2.000 . 2.300 2.291 2.199 2.350 0.050 13 0 "[ . 1 .]" 2
36 1 16 PHE O 1 52 CYS N 3.000 2.500 3.300 3.239 3.118 3.311 0.011 6 0 "[ . 1 .]" 2
37 1 46 THR O 1 51 GLN H 2.000 . 2.300 2.386 2.333 2.437 0.137 13 0 "[ . 1 .]" 2
38 1 46 THR O 1 51 GLN N 3.000 2.500 3.300 3.340 3.298 3.394 0.094 6 0 "[ . 1 .]" 2
39 1 44 VAL O 1 53 TYR H 2.000 . 2.300 2.234 2.084 2.381 0.081 8 0 "[ . 1 .]" 2
40 1 44 VAL O 1 53 TYR N 3.000 2.500 3.300 3.065 2.926 3.198 . 0 0 "[ . 1 .]" 2
41 1 44 VAL H 1 53 TYR O 2.000 . 2.300 2.305 2.146 2.359 0.059 3 0 "[ . 1 .]" 2
42 1 44 VAL N 1 53 TYR O 3.000 2.500 3.300 3.060 2.798 3.313 0.013 14 0 "[ . 1 .]" 2
43 1 22 ASP O 1 27 ASP H 2.000 . 2.300 2.429 2.393 2.455 0.155 7 0 "[ . 1 .]" 2
44 1 22 ASP O 1 27 ASP N 3.000 2.500 3.300 3.332 3.290 3.369 0.069 8 0 "[ . 1 .]" 2
45 1 2 THR O 1 6 CYS H 2.000 . 2.300 2.018 1.982 2.080 . 0 0 "[ . 1 .]" 2
46 1 2 THR O 1 6 CYS N 3.000 2.500 3.300 2.947 2.904 2.998 . 0 0 "[ . 1 .]" 2
stop_
save_
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