Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
381235 | 1iyc RC | 5491 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1iyc
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 458
_Distance_constraint_stats_list.Viol_count 701
_Distance_constraint_stats_list.Viol_total 1245.142
_Distance_constraint_stats_list.Viol_max 0.311
_Distance_constraint_stats_list.Viol_rms 0.0309
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0068
_Distance_constraint_stats_list.Viol_average_violations_only 0.0888
_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 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 LEU 0.024 0.024 7 0 "[ . 1 . 2]"
1 3 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 LYS 0.977 0.127 1 0 "[ . 1 . 2]"
1 5 LEU 0.126 0.126 5 0 "[ . 1 . 2]"
1 6 PRO 0.151 0.057 16 0 "[ . 1 . 2]"
1 7 ASP 0.719 0.064 6 0 "[ . 1 . 2]"
1 8 ASP 0.812 0.069 20 0 "[ . 1 . 2]"
1 9 LYS 1.100 0.079 7 0 "[ . 1 . 2]"
1 10 VAL 2.369 0.260 7 0 "[ . 1 . 2]"
1 11 LEU 1.877 0.260 7 0 "[ . 1 . 2]"
1 12 ILE 2.125 0.129 3 0 "[ . 1 . 2]"
1 13 ARG 1.589 0.077 5 0 "[ . 1 . 2]"
1 14 SER 4.009 0.194 16 0 "[ . 1 . 2]"
1 15 ARG 2.577 0.147 7 0 "[ . 1 . 2]"
1 16 SER 6.911 0.194 16 0 "[ . 1 . 2]"
1 17 ASN 2.828 0.132 11 0 "[ . 1 . 2]"
1 18 CYS 8.292 0.311 11 0 "[ . 1 . 2]"
1 19 PRO 0.445 0.139 3 0 "[ . 1 . 2]"
1 20 LYS 0.248 0.069 20 0 "[ . 1 . 2]"
1 21 GLY 0.045 0.026 1 0 "[ . 1 . 2]"
1 22 LYS 7.324 0.311 11 0 "[ . 1 . 2]"
1 23 VAL 9.211 0.274 5 0 "[ . 1 . 2]"
1 24 TRP 20.627 0.278 17 0 "[ . 1 . 2]"
1 25 ASN 5.643 0.240 14 0 "[ . 1 . 2]"
1 26 GLY 0.599 0.161 14 0 "[ . 1 . 2]"
1 27 PHE 7.215 0.278 17 0 "[ . 1 . 2]"
1 28 ASP 6.201 0.266 12 0 "[ . 1 . 2]"
1 29 CYS 4.344 0.242 7 0 "[ . 1 . 2]"
1 30 LYS 7.153 0.275 12 0 "[ . 1 . 2]"
1 31 SER 1.977 0.151 6 0 "[ . 1 . 2]"
1 32 PRO 0.782 0.210 15 0 "[ . 1 . 2]"
1 33 PHE 0.002 0.002 15 0 "[ . 1 . 2]"
1 34 ALA 2.743 0.240 12 0 "[ . 1 . 2]"
1 35 PHE 1.922 0.240 12 0 "[ . 1 . 2]"
1 36 SER 0.084 0.033 17 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 GLU HA 1 2 LEU H 2.000 . 2.700 2.345 2.138 2.685 . 0 0 "[ . 1 . 2]" 1
2 1 1 GLU QB 1 2 LEU H 2.000 . 6.000 3.355 1.915 4.045 . 0 0 "[ . 1 . 2]" 1
3 1 1 GLU QG 1 2 LEU H 2.000 . 6.000 3.354 2.040 4.841 . 0 0 "[ . 1 . 2]" 1
4 1 1 GLU QG 1 4 LYS QD 2.000 . 7.000 4.859 3.932 5.482 . 0 0 "[ . 1 . 2]" 1
5 1 2 LEU H 1 2 LEU QB 2.000 . 4.500 2.420 2.043 3.020 . 0 0 "[ . 1 . 2]" 1
6 1 2 LEU H 1 2 LEU QD 2.000 . 7.400 3.045 1.776 3.886 0.024 7 0 "[ . 1 . 2]" 1
7 1 2 LEU H 1 2 LEU HG 2.000 . 5.000 3.675 1.846 4.871 . 0 0 "[ . 1 . 2]" 1
8 1 2 LEU HA 1 3 PRO QB 2.000 . 6.000 4.857 4.469 5.482 . 0 0 "[ . 1 . 2]" 1
9 1 2 LEU HA 1 3 PRO QD 2.000 . 4.500 2.420 1.843 3.515 . 0 0 "[ . 1 . 2]" 1
10 1 3 PRO HA 1 3 PRO QD 2.000 . 6.000 3.384 3.196 3.540 . 0 0 "[ . 1 . 2]" 1
11 1 3 PRO QB 1 3 PRO QD 2.000 . 7.000 2.786 2.720 2.908 . 0 0 "[ . 1 . 2]" 1
12 1 3 PRO QD 1 3 PRO QG 2.000 . 5.500 1.965 1.946 1.976 . 0 0 "[ . 1 . 2]" 1
13 1 3 PRO HA 1 4 LYS H 2.000 . 2.700 2.353 2.144 2.664 . 0 0 "[ . 1 . 2]" 1
14 1 3 PRO QB 1 4 LYS H 2.000 . 6.000 3.662 2.198 4.014 . 0 0 "[ . 1 . 2]" 1
15 1 3 PRO QG 1 4 LYS H 2.000 . 6.000 4.671 3.900 4.914 . 0 0 "[ . 1 . 2]" 1
16 1 4 LYS H 1 4 LYS QB 2.000 . 4.500 2.479 2.144 2.988 . 0 0 "[ . 1 . 2]" 1
17 1 4 LYS H 1 4 LYS QD 2.000 . 4.500 2.437 1.852 3.862 . 0 0 "[ . 1 . 2]" 1
18 1 4 LYS H 1 4 LYS QG 2.000 . 6.000 2.948 1.905 4.305 . 0 0 "[ . 1 . 2]" 1
19 1 4 LYS HA 1 5 LEU H 2.000 . 2.700 2.352 2.161 2.826 0.126 5 0 "[ . 1 . 2]" 1
20 1 4 LYS HA 1 5 LEU QD 2.000 . 7.400 3.911 3.251 4.514 . 0 0 "[ . 1 . 2]" 1
21 1 4 LYS HA 1 6 PRO QD 2.000 . 6.000 2.970 2.416 3.916 . 0 0 "[ . 1 . 2]" 1
22 1 4 LYS HA 1 17 ASN QD 2.000 . 6.000 4.415 3.538 5.160 . 0 0 "[ . 1 . 2]" 1
23 1 4 LYS QB 1 5 LEU H 2.000 . 6.000 3.156 2.064 3.931 . 0 0 "[ . 1 . 2]" 1
24 1 4 LYS QD 1 5 LEU H 2.000 . 6.000 5.118 4.643 5.423 . 0 0 "[ . 1 . 2]" 1
25 1 4 LYS QD 1 12 ILE MD 2.000 . 7.000 4.848 4.092 5.132 . 0 0 "[ . 1 . 2]" 1
26 1 4 LYS H 1 5 LEU HG 2.000 . 5.000 4.334 2.303 4.951 . 0 0 "[ . 1 . 2]" 1
27 1 4 LYS H 1 16 SER HA 2.000 . 5.000 5.012 4.661 5.127 0.127 1 0 "[ . 1 . 2]" 1
28 1 4 LYS H 1 16 SER QB 2.000 . 6.000 5.007 4.492 5.409 . 0 0 "[ . 1 . 2]" 1
29 1 4 LYS QG 1 18 CYS H 2.000 . 6.000 4.008 2.632 5.026 . 0 0 "[ . 1 . 2]" 1
30 1 4 LYS QZ 1 29 CYS H 2.000 . 6.000 4.255 2.893 4.929 . 0 0 "[ . 1 . 2]" 1
31 1 4 LYS QB 1 29 CYS HB3 2.000 . 6.000 4.428 3.052 5.342 . 0 0 "[ . 1 . 2]" 1
32 1 4 LYS QB 1 29 CYS HB2 2.000 . 6.000 3.966 2.170 5.114 . 0 0 "[ . 1 . 2]" 1
33 1 4 LYS QG 1 29 CYS HB3 2.000 . 6.000 3.888 2.901 5.344 . 0 0 "[ . 1 . 2]" 1
34 1 4 LYS QG 1 29 CYS HB2 2.000 . 6.000 3.215 1.999 5.238 . 0 0 "[ . 1 . 2]" 1
35 1 5 LEU H 1 5 LEU QB 2.000 . 4.500 3.237 2.747 3.415 . 0 0 "[ . 1 . 2]" 1
36 1 5 LEU H 1 5 LEU QD 2.000 . 7.400 2.909 2.112 3.710 . 0 0 "[ . 1 . 2]" 1
37 1 5 LEU H 1 5 LEU HG 2.000 . 3.500 2.522 1.944 3.367 . 0 0 "[ . 1 . 2]" 1
38 1 5 LEU HA 1 6 PRO QD 2.000 . 4.500 2.740 2.454 3.178 . 0 0 "[ . 1 . 2]" 1
39 1 5 LEU HA 1 6 PRO QG 2.000 . 6.000 4.588 4.351 4.974 . 0 0 "[ . 1 . 2]" 1
40 1 5 LEU QD 1 6 PRO QB 2.000 . 8.400 4.513 3.528 5.646 . 0 0 "[ . 1 . 2]" 1
41 1 5 LEU HG 1 6 PRO QD 2.000 . 6.000 3.984 3.037 4.438 . 0 0 "[ . 1 . 2]" 1
42 1 5 LEU QB 1 6 PRO QD 2.000 . 7.000 3.875 3.573 3.959 . 0 0 "[ . 1 . 2]" 1
43 1 5 LEU QD 1 6 PRO QD 2.000 . 8.400 3.782 3.240 4.225 . 0 0 "[ . 1 . 2]" 1
44 1 5 LEU QB 1 18 CYS QB 2.000 . 7.000 5.027 4.391 5.554 . 0 0 "[ . 1 . 2]" 1
45 1 5 LEU H 1 18 CYS QB 2.000 . 6.000 5.347 5.234 5.440 . 0 0 "[ . 1 . 2]" 1
46 1 5 LEU HA 1 18 CYS QB 2.000 . 6.000 3.664 3.159 4.208 . 0 0 "[ . 1 . 2]" 1
47 1 5 LEU H 1 17 ASN HA 2.000 . 5.000 4.407 3.804 4.987 . 0 0 "[ . 1 . 2]" 1
48 1 5 LEU HA 1 22 LYS QZ 2.000 . 6.000 3.765 3.047 4.972 . 0 0 "[ . 1 . 2]" 1
49 1 6 PRO HA 1 7 ASP H 2.000 . 2.700 2.609 2.421 2.757 0.057 16 0 "[ . 1 . 2]" 1
50 1 6 PRO QB 1 6 PRO QD 2.000 . 7.000 2.897 2.751 3.005 . 0 0 "[ . 1 . 2]" 1
51 1 6 PRO QB 1 7 ASP H 2.000 . 4.500 2.144 1.851 2.559 . 0 0 "[ . 1 . 2]" 1
52 1 6 PRO QD 1 7 ASP H 2.000 . 6.000 4.608 4.289 4.917 . 0 0 "[ . 1 . 2]" 1
53 1 6 PRO QD 1 6 PRO QG 2.000 . 6.500 1.948 1.937 1.959 . 0 0 "[ . 1 . 2]" 1
54 1 6 PRO QG 1 7 ASP H 2.000 . 6.000 3.743 3.446 4.141 . 0 0 "[ . 1 . 2]" 1
55 1 6 PRO QG 1 12 ILE H 2.000 . 6.000 3.929 3.519 4.236 . 0 0 "[ . 1 . 2]" 1
56 1 6 PRO QB 1 11 LEU HA 2.000 . 6.000 3.677 2.940 4.313 . 0 0 "[ . 1 . 2]" 1
57 1 6 PRO QG 1 11 LEU HA 2.000 . 6.000 3.194 2.472 4.152 . 0 0 "[ . 1 . 2]" 1
58 1 6 PRO QD 1 11 LEU QB 2.000 . 7.000 5.014 3.869 5.522 . 0 0 "[ . 1 . 2]" 1
59 1 6 PRO QG 1 16 SER QB 2.000 . 7.000 5.407 4.816 5.616 . 0 0 "[ . 1 . 2]" 1
60 1 6 PRO QG 1 18 CYS HA 2.000 . 6.000 4.510 4.156 4.851 . 0 0 "[ . 1 . 2]" 1
61 1 6 PRO QB 1 18 CYS QB 2.000 . 7.000 5.203 4.910 5.470 . 0 0 "[ . 1 . 2]" 1
62 1 7 ASP H 1 7 ASP QB 2.000 . 4.500 3.404 3.192 3.471 . 0 0 "[ . 1 . 2]" 1
63 1 7 ASP HA 1 8 ASP H 2.000 . 3.500 3.138 2.141 3.564 0.064 6 0 "[ . 1 . 2]" 1
64 1 7 ASP HA 1 9 LYS H 2.000 . 5.000 4.254 3.430 4.775 . 0 0 "[ . 1 . 2]" 1
65 1 7 ASP H 1 11 LEU QB 2.000 . 6.000 4.165 3.452 5.340 . 0 0 "[ . 1 . 2]" 1
66 1 7 ASP H 1 11 LEU QD 2.000 . 7.400 3.787 2.265 4.748 . 0 0 "[ . 1 . 2]" 1
67 1 7 ASP QB 1 9 LYS H 2.000 . 6.000 4.787 4.000 5.295 . 0 0 "[ . 1 . 2]" 1
68 1 7 ASP QB 1 9 LYS QG 2.000 . 7.000 4.989 4.507 5.376 . 0 0 "[ . 1 . 2]" 1
69 1 7 ASP QB 1 11 LEU QB 2.000 . 7.000 4.727 4.123 5.427 . 0 0 "[ . 1 . 2]" 1
70 1 7 ASP QB 1 19 PRO QD 2.000 . 7.000 5.521 5.291 5.670 . 0 0 "[ . 1 . 2]" 1
71 1 7 ASP QB 1 19 PRO QB 2.000 . 7.000 4.902 4.532 5.351 . 0 0 "[ . 1 . 2]" 1
72 1 7 ASP QB 1 21 GLY H 2.000 . 6.000 2.955 2.175 3.599 . 0 0 "[ . 1 . 2]" 1
73 1 8 ASP H 1 8 ASP QB 2.000 . 4.500 2.746 2.280 3.277 . 0 0 "[ . 1 . 2]" 1
74 1 8 ASP HA 1 9 LYS H 2.000 . 3.500 2.811 2.545 3.320 . 0 0 "[ . 1 . 2]" 1
75 1 8 ASP HA 1 10 VAL H 2.000 . 5.000 4.663 4.180 5.016 0.016 15 0 "[ . 1 . 2]" 1
76 1 8 ASP QB 1 9 LYS H 2.000 . 4.500 3.863 3.321 4.054 . 0 0 "[ . 1 . 2]" 1
77 1 8 ASP H 1 9 LYS H 2.000 . 3.500 2.568 1.862 3.278 . 0 0 "[ . 1 . 2]" 1
78 1 8 ASP H 1 10 VAL H 2.000 . 5.000 4.075 2.672 5.005 0.005 11 0 "[ . 1 . 2]" 1
79 1 8 ASP H 1 11 LEU QD 2.000 . 7.400 3.342 1.810 4.628 . 0 0 "[ . 1 . 2]" 1
80 1 8 ASP H 1 20 LYS HA 2.000 . 5.000 4.890 4.402 5.069 0.069 20 0 "[ . 1 . 2]" 1
81 1 9 LYS H 1 9 LYS QB 2.000 . 3.500 3.120 2.698 3.390 . 0 0 "[ . 1 . 2]" 1
82 1 9 LYS H 1 9 LYS QD 2.000 . 4.500 3.831 3.234 4.104 . 0 0 "[ . 1 . 2]" 1
83 1 9 LYS H 1 9 LYS QG 2.000 . 4.500 2.305 1.997 2.725 . 0 0 "[ . 1 . 2]" 1
84 1 9 LYS HA 1 10 VAL HA 2.000 . 5.000 4.527 4.371 4.594 . 0 0 "[ . 1 . 2]" 1
85 1 9 LYS HA 1 10 VAL H 2.000 . 3.500 3.384 2.850 3.565 0.065 17 0 "[ . 1 . 2]" 1
86 1 9 LYS H 1 10 VAL H 2.000 . 3.500 2.416 1.828 2.961 . 0 0 "[ . 1 . 2]" 1
87 1 9 LYS H 1 10 VAL HB 2.000 . 5.000 4.992 4.821 5.079 0.079 7 0 "[ . 1 . 2]" 1
88 1 9 LYS H 1 10 VAL QG 2.000 . 7.400 4.405 3.049 4.687 . 0 0 "[ . 1 . 2]" 1
89 1 9 LYS HA 1 11 LEU QD 2.000 . 7.400 3.861 2.342 4.828 . 0 0 "[ . 1 . 2]" 1
90 1 9 LYS QB 1 10 VAL H 2.000 . 4.500 2.810 1.956 3.833 . 0 0 "[ . 1 . 2]" 1
91 1 10 VAL H 1 10 VAL HB 2.000 . 3.500 2.711 2.552 3.593 0.093 7 0 "[ . 1 . 2]" 1
92 1 10 VAL H 1 10 VAL MG1 2.000 . 4.500 3.821 3.750 3.894 . 0 0 "[ . 1 . 2]" 1
93 1 10 VAL H 1 10 VAL MG2 2.000 . 4.500 3.007 2.452 3.375 . 0 0 "[ . 1 . 2]" 1
94 1 10 VAL HA 1 11 LEU H 2.000 . 3.500 3.373 2.093 3.550 0.050 4 0 "[ . 1 . 2]" 1
95 1 10 VAL HB 1 11 LEU H 2.000 . 3.500 2.915 2.022 3.663 0.163 7 0 "[ . 1 . 2]" 1
96 1 10 VAL H 1 11 LEU H 2.000 . 3.500 2.054 1.789 3.760 0.260 7 0 "[ . 1 . 2]" 1
97 1 10 VAL H 1 11 LEU QD 2.000 . 7.400 2.904 1.910 3.776 . 0 0 "[ . 1 . 2]" 1
98 1 10 VAL QG 1 12 ILE QG 2.000 . 8.400 2.933 1.691 4.987 0.109 20 0 "[ . 1 . 2]" 1
99 1 11 LEU H 1 11 LEU HA 2.000 . 3.000 2.446 2.292 2.914 . 0 0 "[ . 1 . 2]" 1
100 1 11 LEU H 1 11 LEU QB 2.000 . 3.500 2.899 2.617 3.317 . 0 0 "[ . 1 . 2]" 1
101 1 11 LEU H 1 11 LEU QD 2.000 . 5.900 2.614 1.627 3.517 0.173 14 0 "[ . 1 . 2]" 1
102 1 11 LEU H 1 12 ILE QG 2.000 . 6.000 4.556 3.713 5.386 . 0 0 "[ . 1 . 2]" 1
103 1 11 LEU H 1 11 LEU HG 2.000 . 3.500 3.011 1.828 3.544 0.044 20 0 "[ . 1 . 2]" 1
104 1 11 LEU HA 1 12 ILE H 2.000 . 2.700 2.524 2.132 2.719 0.019 1 0 "[ . 1 . 2]" 1
105 1 11 LEU QD 1 13 ARG H 2.000 . 7.400 4.715 3.935 5.435 . 0 0 "[ . 1 . 2]" 1
106 1 11 LEU QB 1 19 PRO HA 2.000 . 6.000 2.783 1.890 4.047 . 0 0 "[ . 1 . 2]" 1
107 1 11 LEU HG 1 19 PRO HA 2.000 . 5.000 4.320 1.834 5.054 0.054 20 0 "[ . 1 . 2]" 1
108 1 11 LEU QD 1 19 PRO HA 2.000 . 7.400 2.625 1.661 3.467 0.139 3 0 "[ . 1 . 2]" 1
109 1 11 LEU QD 1 19 PRO QB 2.000 . 8.400 3.240 2.430 4.106 . 0 0 "[ . 1 . 2]" 1
110 1 11 LEU QD 1 20 LYS H 2.000 . 7.400 3.457 2.416 4.591 . 0 0 "[ . 1 . 2]" 1
111 1 12 ILE H 1 12 ILE HB 2.000 . 3.500 3.537 3.312 3.629 0.129 3 0 "[ . 1 . 2]" 1
112 1 12 ILE H 1 12 ILE MD 2.000 . 4.500 3.336 2.795 3.566 . 0 0 "[ . 1 . 2]" 1
113 1 12 ILE H 1 12 ILE QG 2.000 . 4.500 1.772 1.673 1.932 0.127 8 0 "[ . 1 . 2]" 1
114 1 12 ILE H 1 12 ILE MG 2.000 . 4.500 3.357 2.853 3.744 . 0 0 "[ . 1 . 2]" 1
115 1 12 ILE HA 1 13 ARG H 2.000 . 2.700 2.186 2.131 2.336 . 0 0 "[ . 1 . 2]" 1
116 1 12 ILE H 1 13 ARG H 2.000 . 5.000 4.272 3.987 4.493 . 0 0 "[ . 1 . 2]" 1
117 1 12 ILE QG 1 13 ARG H 2.000 . 6.000 4.595 4.318 4.803 . 0 0 "[ . 1 . 2]" 1
118 1 12 ILE MG 1 13 ARG H 2.000 . 6.000 3.503 2.544 3.940 . 0 0 "[ . 1 . 2]" 1
119 1 12 ILE MD 1 13 ARG H 2.000 . 6.000 4.813 4.325 4.998 . 0 0 "[ . 1 . 2]" 1
120 1 12 ILE HB 1 14 SER QB 2.000 . 6.000 2.105 1.865 2.410 . 0 0 "[ . 1 . 2]" 1
121 1 12 ILE MD 1 14 SER HA 2.000 . 6.000 4.793 4.364 4.927 . 0 0 "[ . 1 . 2]" 1
122 1 12 ILE MD 1 15 ARG H 2.000 . 6.000 2.917 2.263 3.542 . 0 0 "[ . 1 . 2]" 1
123 1 12 ILE MG 1 15 ARG H 2.000 . 6.000 5.082 5.019 5.149 . 0 0 "[ . 1 . 2]" 1
124 1 12 ILE MD 1 16 SER QB 2.000 . 7.000 2.653 2.077 3.760 . 0 0 "[ . 1 . 2]" 1
125 1 12 ILE MD 1 17 ASN H 2.000 . 6.000 3.794 3.309 4.465 . 0 0 "[ . 1 . 2]" 1
126 1 13 ARG H 1 13 ARG QB 2.000 . 4.500 2.092 2.046 2.219 . 0 0 "[ . 1 . 2]" 1
127 1 13 ARG H 1 13 ARG QD 2.000 . 6.000 3.859 2.771 4.789 . 0 0 "[ . 1 . 2]" 1
128 1 13 ARG H 1 13 ARG QG 2.000 . 4.500 3.465 2.891 3.854 . 0 0 "[ . 1 . 2]" 1
129 1 13 ARG QB 1 13 ARG HE 2.000 . 6.000 3.441 2.062 4.217 . 0 0 "[ . 1 . 2]" 1
130 1 13 ARG HE 1 13 ARG QG 2.000 . 6.000 2.502 2.065 2.975 . 0 0 "[ . 1 . 2]" 1
131 1 13 ARG HA 1 14 SER H 2.000 . 3.500 3.398 3.364 3.433 . 0 0 "[ . 1 . 2]" 1
132 1 13 ARG HB3 1 14 SER H 2.000 . 3.500 3.450 3.000 3.576 0.076 16 0 "[ . 1 . 2]" 1
133 1 13 ARG HB2 1 14 SER H 2.000 . 3.500 3.415 3.166 3.567 0.067 6 0 "[ . 1 . 2]" 1
134 1 13 ARG QD 1 14 SER H 2.000 . 6.000 5.117 4.687 5.365 . 0 0 "[ . 1 . 2]" 1
135 1 13 ARG H 1 14 SER H 2.000 . 3.500 2.501 2.037 2.754 . 0 0 "[ . 1 . 2]" 1
136 1 13 ARG HA 1 16 SER H 2.000 . 5.000 4.913 4.750 5.018 0.018 19 0 "[ . 1 . 2]" 1
137 1 13 ARG HA 1 17 ASN H 2.000 . 5.000 5.019 4.911 5.077 0.077 5 0 "[ . 1 . 2]" 1
138 1 13 ARG HA 1 15 ARG H 2.000 . 5.000 5.003 4.929 5.034 0.034 19 0 "[ . 1 . 2]" 1
139 1 13 ARG QB 1 14 SER QB 2.000 . 7.000 4.809 4.550 4.986 . 0 0 "[ . 1 . 2]" 1
140 1 13 ARG QB 1 17 ASN QB 2.000 . 7.000 5.349 5.187 5.503 . 0 0 "[ . 1 . 2]" 1
141 1 13 ARG QG 1 30 LYS QD 2.000 . 5.500 3.225 2.148 4.138 . 0 0 "[ . 1 . 2]" 1
142 1 14 SER H 1 14 SER HA 2.000 . 2.700 2.585 2.526 2.632 . 0 0 "[ . 1 . 2]" 1
143 1 14 SER H 1 14 SER QB 2.000 . 4.500 2.407 2.146 2.675 . 0 0 "[ . 1 . 2]" 1
144 1 14 SER H 1 16 SER H 2.000 . 5.000 4.685 4.563 4.869 . 0 0 "[ . 1 . 2]" 1
145 1 14 SER HA 1 15 ARG H 2.000 . 3.500 3.491 3.466 3.507 0.007 11 0 "[ . 1 . 2]" 1
146 1 14 SER HA 1 16 SER H 2.000 . 5.000 5.162 5.127 5.194 0.194 16 0 "[ . 1 . 2]" 1
147 1 14 SER QB 1 15 ARG H 2.000 . 5.000 1.906 1.822 1.981 . 0 0 "[ . 1 . 2]" 1
148 1 14 SER QB 1 15 ARG QB 2.000 . 7.000 3.876 3.530 4.601 . 0 0 "[ . 1 . 2]" 1
149 1 14 SER QB 1 16 SER H 2.000 . 6.000 3.285 3.107 3.405 . 0 0 "[ . 1 . 2]" 1
150 1 14 SER QB 1 17 ASN H 2.000 . 6.000 5.210 4.796 5.419 . 0 0 "[ . 1 . 2]" 1
151 1 15 ARG H 1 15 ARG QB 2.000 . 4.500 3.360 3.227 3.462 . 0 0 "[ . 1 . 2]" 1
152 1 15 ARG H 1 15 ARG QG 2.000 . 4.500 2.781 2.389 3.304 . 0 0 "[ . 1 . 2]" 1
153 1 15 ARG H 1 15 ARG QD 2.000 . 6.000 4.308 2.534 4.999 . 0 0 "[ . 1 . 2]" 1
154 1 15 ARG QB 1 15 ARG HE 2.000 . 6.000 3.381 1.892 4.272 . 0 0 "[ . 1 . 2]" 1
155 1 15 ARG HE 1 15 ARG QG 2.000 . 6.000 2.576 2.122 3.320 . 0 0 "[ . 1 . 2]" 1
156 1 15 ARG HA 1 16 SER H 2.000 . 2.700 2.816 2.790 2.847 0.147 7 0 "[ . 1 . 2]" 1
157 1 15 ARG QB 1 16 SER H 2.000 . 6.000 4.000 3.963 4.023 . 0 0 "[ . 1 . 2]" 1
158 1 15 ARG QB 1 16 SER HA 2.000 . 6.000 4.767 4.554 4.941 . 0 0 "[ . 1 . 2]" 1
159 1 15 ARG H 1 16 SER H 2.000 . 3.500 1.871 1.838 1.938 . 0 0 "[ . 1 . 2]" 1
160 1 15 ARG H 1 16 SER QB 2.000 . 6.000 3.925 3.492 4.227 . 0 0 "[ . 1 . 2]" 1
161 1 15 ARG HE 1 16 SER QB 2.000 . 6.000 4.824 2.530 5.419 . 0 0 "[ . 1 . 2]" 1
162 1 15 ARG QG 1 16 SER H 2.000 . 4.500 3.728 3.648 3.848 . 0 0 "[ . 1 . 2]" 1
163 1 16 SER H 1 16 SER QB 2.000 . 4.500 3.176 2.917 3.369 . 0 0 "[ . 1 . 2]" 1
164 1 16 SER HA 1 17 ASN H 2.000 . 2.700 2.706 2.578 2.804 0.104 4 0 "[ . 1 . 2]" 1
165 1 16 SER HA 1 17 ASN HA 2.000 . 5.000 4.309 4.285 4.327 . 0 0 "[ . 1 . 2]" 1
166 1 16 SER HA 1 17 ASN HB2 2.000 . 5.000 4.725 4.544 4.819 . 0 0 "[ . 1 . 2]" 1
167 1 16 SER H 1 17 ASN H 2.000 . 3.500 2.417 2.249 2.673 . 0 0 "[ . 1 . 2]" 1
168 1 16 SER H 1 17 ASN HB3 2.000 . 5.000 4.674 4.542 4.833 . 0 0 "[ . 1 . 2]" 1
169 1 16 SER H 1 17 ASN HB2 2.000 . 5.000 3.281 3.203 3.354 . 0 0 "[ . 1 . 2]" 1
170 1 17 ASN H 1 17 ASN HB3 2.000 . 3.500 3.586 3.509 3.632 0.132 11 0 "[ . 1 . 2]" 1
171 1 17 ASN H 1 17 ASN HB2 2.000 . 3.500 2.931 2.850 3.056 . 0 0 "[ . 1 . 2]" 1
172 1 17 ASN HA 1 18 CYS H 2.000 . 2.700 2.281 2.127 2.437 . 0 0 "[ . 1 . 2]" 1
173 1 17 ASN HB3 1 18 CYS H 2.000 . 3.500 3.008 2.491 3.513 0.013 15 0 "[ . 1 . 2]" 1
174 1 17 ASN HB2 1 18 CYS H 2.000 . 5.000 4.140 3.835 4.404 . 0 0 "[ . 1 . 2]" 1
175 1 17 ASN H 1 18 CYS H 2.000 . 5.000 4.283 4.031 4.370 . 0 0 "[ . 1 . 2]" 1
176 1 17 ASN H 1 29 CYS H 2.000 . 5.000 4.700 3.792 5.039 0.039 13 0 "[ . 1 . 2]" 1
177 1 18 CYS H 1 18 CYS QB 2.000 . 4.500 3.013 2.906 3.130 . 0 0 "[ . 1 . 2]" 1
178 1 18 CYS H 1 19 PRO QD 2.000 . 6.000 4.194 3.893 4.377 . 0 0 "[ . 1 . 2]" 1
179 1 18 CYS HA 1 19 PRO QD 2.000 . 4.500 1.892 1.812 2.105 . 0 0 "[ . 1 . 2]" 1
180 1 18 CYS HA 1 19 PRO QB 2.000 . 6.000 4.642 4.537 4.745 . 0 0 "[ . 1 . 2]" 1
181 1 18 CYS HA 1 19 PRO QG 2.000 . 6.000 3.797 3.692 4.003 . 0 0 "[ . 1 . 2]" 1
182 1 18 CYS HA 1 22 LYS QB 2.000 . 6.000 4.128 3.863 4.452 . 0 0 "[ . 1 . 2]" 1
183 1 18 CYS HA 1 22 LYS QD 2.000 . 6.000 4.148 3.303 4.699 . 0 0 "[ . 1 . 2]" 1
184 1 18 CYS HA 1 22 LYS QG 2.000 . 6.000 2.754 2.226 3.130 . 0 0 "[ . 1 . 2]" 1
185 1 18 CYS HA 1 29 CYS H 2.000 . 5.000 4.735 4.550 5.002 0.002 8 0 "[ . 1 . 2]" 1
186 1 18 CYS HA 1 30 LYS H 2.000 . 5.000 4.840 4.422 5.085 0.085 4 0 "[ . 1 . 2]" 1
187 1 18 CYS HA 1 30 LYS QG 2.000 . 6.000 4.412 3.512 4.767 . 0 0 "[ . 1 . 2]" 1
188 1 18 CYS QB 1 19 PRO QG 2.000 . 7.000 4.401 3.872 4.987 . 0 0 "[ . 1 . 2]" 1
189 1 18 CYS HB3 1 19 PRO QD 2.000 . 6.000 2.937 2.482 3.515 . 0 0 "[ . 1 . 2]" 1
190 1 18 CYS HB2 1 19 PRO QD 2.000 . 6.000 3.540 3.142 4.049 . 0 0 "[ . 1 . 2]" 1
191 1 18 CYS HB3 1 22 LYS H 2.000 . 5.000 5.154 5.051 5.311 0.311 11 0 "[ . 1 . 2]" 1
192 1 18 CYS HB2 1 22 LYS H 2.000 . 5.000 4.578 4.237 4.894 . 0 0 "[ . 1 . 2]" 1
193 1 18 CYS QB 1 22 LYS QD 2.000 . 7.000 1.802 1.572 2.075 0.228 3 0 "[ . 1 . 2]" 1
194 1 18 CYS QB 1 22 LYS QB 2.000 . 5.500 3.200 2.715 3.600 . 0 0 "[ . 1 . 2]" 1
195 1 18 CYS HB3 1 23 VAL H 2.000 . 5.000 4.202 4.002 4.513 . 0 0 "[ . 1 . 2]" 1
196 1 18 CYS HB2 1 23 VAL H 2.000 . 5.000 5.173 5.122 5.208 0.208 6 0 "[ . 1 . 2]" 1
197 1 18 CYS HB3 1 24 TRP H 2.000 . 5.000 4.826 4.382 5.080 0.080 7 0 "[ . 1 . 2]" 1
198 1 18 CYS QB 1 24 TRP QB 2.000 . 7.000 4.250 3.951 4.540 . 0 0 "[ . 1 . 2]" 1
199 1 18 CYS QB 1 29 CYS H 2.000 . 6.000 4.958 4.769 5.143 . 0 0 "[ . 1 . 2]" 1
200 1 18 CYS QB 1 30 LYS H 2.000 . 6.000 3.902 3.775 4.069 . 0 0 "[ . 1 . 2]" 1
201 1 18 CYS QB 1 30 LYS QG 2.000 . 7.000 4.852 4.509 5.278 . 0 0 "[ . 1 . 2]" 1
202 1 18 CYS H 1 22 LYS QD 2.000 . 6.000 4.617 4.161 5.008 . 0 0 "[ . 1 . 2]" 1
203 1 19 PRO QB 1 19 PRO QD 2.000 . 7.000 2.749 2.702 2.831 . 0 0 "[ . 1 . 2]" 1
204 1 19 PRO QD 1 19 PRO QG 2.000 . 5.500 1.970 1.955 1.977 . 0 0 "[ . 1 . 2]" 1
205 1 19 PRO HA 1 20 LYS H 2.000 . 3.500 2.649 2.208 2.951 . 0 0 "[ . 1 . 2]" 1
206 1 19 PRO QB 1 20 LYS H 2.000 . 4.500 2.209 1.774 3.090 0.026 2 0 "[ . 1 . 2]" 1
207 1 19 PRO QG 1 20 LYS H 2.000 . 6.000 4.002 3.424 4.496 . 0 0 "[ . 1 . 2]" 1
208 1 19 PRO QD 1 20 LYS QG 2.000 . 7.000 5.590 5.372 5.723 . 0 0 "[ . 1 . 2]" 1
209 1 19 PRO QD 1 22 LYS QD 2.000 . 7.000 3.793 3.338 4.370 . 0 0 "[ . 1 . 2]" 1
210 1 19 PRO QB 1 30 LYS QG 2.000 . 7.000 4.515 3.614 5.640 . 0 0 "[ . 1 . 2]" 1
211 1 19 PRO QG 1 30 LYS QG 2.000 . 7.000 2.828 1.797 4.209 0.003 11 0 "[ . 1 . 2]" 1
212 1 19 PRO QD 1 29 CYS HB3 2.000 . 7.000 3.362 3.120 3.902 . 0 0 "[ . 1 . 2]" 1
213 1 19 PRO QD 1 30 LYS QG 2.000 . 7.000 2.930 1.804 3.674 . 0 0 "[ . 1 . 2]" 1
214 1 19 PRO HA 1 30 LYS QD 2.000 . 6.000 5.324 5.228 5.428 . 0 0 "[ . 1 . 2]" 1
215 1 20 LYS H 1 20 LYS HA 2.000 . 3.000 2.829 2.620 2.910 . 0 0 "[ . 1 . 2]" 1
216 1 20 LYS H 1 20 LYS QB 2.000 . 4.500 2.598 2.412 2.690 . 0 0 "[ . 1 . 2]" 1
217 1 20 LYS H 1 20 LYS QD 2.000 . 4.500 3.784 3.465 4.110 . 0 0 "[ . 1 . 2]" 1
218 1 20 LYS H 1 20 LYS QG 2.000 . 4.500 1.977 1.819 2.383 . 0 0 "[ . 1 . 2]" 1
219 1 20 LYS HA 1 21 GLY H 2.000 . 2.700 2.227 2.171 2.271 . 0 0 "[ . 1 . 2]" 1
220 1 20 LYS HA 1 21 GLY QA 2.000 . 6.000 3.971 3.943 3.996 . 0 0 "[ . 1 . 2]" 1
221 1 20 LYS QB 1 21 GLY H 2.000 . 4.500 2.916 2.796 3.092 . 0 0 "[ . 1 . 2]" 1
222 1 20 LYS QG 1 21 GLY H 2.000 . 4.500 4.020 3.899 4.088 . 0 0 "[ . 1 . 2]" 1
223 1 20 LYS H 1 21 GLY H 2.000 . 5.000 4.592 4.536 4.634 . 0 0 "[ . 1 . 2]" 1
224 1 21 GLY QA 1 22 LYS H 2.000 . 4.500 2.516 2.280 2.781 . 0 0 "[ . 1 . 2]" 1
225 1 21 GLY QA 1 22 LYS QG 2.000 . 7.000 4.764 3.820 5.398 . 0 0 "[ . 1 . 2]" 1
226 1 21 GLY H 1 22 LYS QD 2.000 . 4.500 3.931 3.526 4.131 . 0 0 "[ . 1 . 2]" 1
227 1 21 GLY H 1 22 LYS H 2.000 . 3.500 3.185 2.922 3.526 0.026 1 0 "[ . 1 . 2]" 1
228 1 22 LYS H 1 22 LYS QB 2.000 . 4.500 2.793 2.256 3.097 . 0 0 "[ . 1 . 2]" 1
229 1 22 LYS H 1 22 LYS QD 2.000 . 4.500 1.741 1.627 1.833 0.173 12 0 "[ . 1 . 2]" 1
230 1 22 LYS H 1 22 LYS QG 2.000 . 4.500 2.897 1.865 3.616 . 0 0 "[ . 1 . 2]" 1
231 1 22 LYS HA 1 23 VAL H 2.000 . 2.700 2.746 2.661 2.820 0.120 10 0 "[ . 1 . 2]" 1
232 1 22 LYS HA 1 23 VAL MG1 2.000 . 6.000 4.354 3.698 4.980 . 0 0 "[ . 1 . 2]" 1
233 1 22 LYS HA 1 23 VAL MG2 2.000 . 6.000 2.894 2.743 3.185 . 0 0 "[ . 1 . 2]" 1
234 1 22 LYS HA 1 31 SER QB 2.000 . 6.000 2.852 2.171 3.512 . 0 0 "[ . 1 . 2]" 1
235 1 22 LYS HA 1 32 PRO QD 2.000 . 6.000 3.237 2.864 3.761 . 0 0 "[ . 1 . 2]" 1
236 1 22 LYS QB 1 23 VAL H 2.000 . 4.500 2.005 1.742 2.410 0.058 9 0 "[ . 1 . 2]" 1
237 1 22 LYS QB 1 30 LYS HA 2.000 . 6.000 2.077 1.774 2.415 0.026 20 0 "[ . 1 . 2]" 1
238 1 22 LYS QG 1 30 LYS HA 2.000 . 6.000 2.769 2.233 3.408 . 0 0 "[ . 1 . 2]" 1
239 1 22 LYS QE 1 30 LYS HA 2.000 . 6.000 4.565 3.106 5.407 . 0 0 "[ . 1 . 2]" 1
240 1 22 LYS QB 1 31 SER H 2.000 . 4.500 2.051 1.649 2.285 0.151 6 0 "[ . 1 . 2]" 1
241 1 22 LYS QB 1 31 SER HA 2.000 . 4.500 2.908 2.474 3.393 . 0 0 "[ . 1 . 2]" 1
242 1 22 LYS QD 1 23 VAL H 2.000 . 4.500 3.726 3.431 4.110 . 0 0 "[ . 1 . 2]" 1
243 1 22 LYS QD 1 30 LYS H 2.000 . 6.000 5.407 5.134 5.561 . 0 0 "[ . 1 . 2]" 1
244 1 22 LYS QG 1 23 VAL H 2.000 . 6.000 2.734 1.875 3.857 . 0 0 "[ . 1 . 2]" 1
245 1 22 LYS QG 1 30 LYS H 2.000 . 6.000 3.792 3.039 4.807 . 0 0 "[ . 1 . 2]" 1
246 1 22 LYS QG 1 31 SER H 2.000 . 6.000 3.804 3.367 4.093 . 0 0 "[ . 1 . 2]" 1
247 1 22 LYS QD 1 31 SER H 2.000 . 6.000 5.078 4.617 5.360 . 0 0 "[ . 1 . 2]" 1
248 1 22 LYS H 1 23 VAL H 2.000 . 5.000 4.324 4.236 4.413 . 0 0 "[ . 1 . 2]" 1
249 1 22 LYS QG 1 29 CYS QB 2.000 . 7.000 3.656 3.263 4.479 . 0 0 "[ . 1 . 2]" 1
250 1 22 LYS QG 1 31 SER HA 2.000 . 6.000 4.418 4.025 4.964 . 0 0 "[ . 1 . 2]" 1
251 1 22 LYS QG 1 31 SER QB 2.000 . 7.000 5.034 4.650 5.427 . 0 0 "[ . 1 . 2]" 1
252 1 22 LYS QD 1 29 CYS QB 2.000 . 7.000 4.718 4.395 5.169 . 0 0 "[ . 1 . 2]" 1
253 1 22 LYS QE 1 31 SER HA 2.000 . 6.000 5.003 4.265 5.255 . 0 0 "[ . 1 . 2]" 1
254 1 22 LYS QZ 1 31 SER H 2.000 . 6.500 5.280 3.609 5.477 . 0 0 "[ . 1 . 2]" 1
255 1 22 LYS H 1 23 VAL MG1 2.000 . 6.000 4.880 4.791 4.990 . 0 0 "[ . 1 . 2]" 1
256 1 23 VAL H 1 23 VAL HA 2.000 . 3.000 2.854 2.838 2.878 . 0 0 "[ . 1 . 2]" 1
257 1 23 VAL H 1 23 VAL HB 2.000 . 3.500 3.669 3.513 3.774 0.274 5 0 "[ . 1 . 2]" 1
258 1 23 VAL H 1 23 VAL QG 2.000 . 5.900 2.287 2.003 2.480 . 0 0 "[ . 1 . 2]" 1
259 1 23 VAL HA 1 24 TRP QB 2.000 . 6.000 4.042 3.981 4.109 . 0 0 "[ . 1 . 2]" 1
260 1 23 VAL HA 1 24 TRP HB3 2.000 . 5.000 4.342 4.223 4.492 . 0 0 "[ . 1 . 2]" 1
261 1 23 VAL HA 1 24 TRP HB2 2.000 . 5.000 4.821 4.701 4.902 . 0 0 "[ . 1 . 2]" 1
262 1 23 VAL HA 1 24 TRP H 2.000 . 2.700 2.187 2.136 2.267 . 0 0 "[ . 1 . 2]" 1
263 1 23 VAL HA 1 30 LYS H 2.000 . 5.000 4.584 4.470 4.656 . 0 0 "[ . 1 . 2]" 1
264 1 23 VAL H 1 30 LYS HA 2.000 . 5.000 3.174 2.804 3.533 . 0 0 "[ . 1 . 2]" 1
265 1 23 VAL HB 1 24 TRP H 2.000 . 5.000 3.511 3.076 3.698 . 0 0 "[ . 1 . 2]" 1
266 1 23 VAL HB 1 30 LYS H 2.000 . 5.000 4.952 4.768 5.075 0.075 20 0 "[ . 1 . 2]" 1
267 1 23 VAL H 1 30 LYS H 2.000 . 3.500 3.056 2.888 3.195 . 0 0 "[ . 1 . 2]" 1
268 1 23 VAL H 1 29 CYS HA 2.000 . 5.000 4.561 4.389 4.699 . 0 0 "[ . 1 . 2]" 1
269 1 23 VAL MG1 1 30 LYS H 2.000 . 6.500 5.523 5.386 5.585 . 0 0 "[ . 1 . 2]" 1
270 1 23 VAL MG2 1 30 LYS H 2.000 . 6.000 4.252 3.830 4.870 . 0 0 "[ . 1 . 2]" 1
271 1 23 VAL QG 1 30 LYS HA 2.000 . 7.900 4.585 4.276 4.918 . 0 0 "[ . 1 . 2]" 1
272 1 23 VAL H 1 31 SER H 2.000 . 5.000 3.292 2.781 3.650 . 0 0 "[ . 1 . 2]" 1
273 1 23 VAL H 1 31 SER HA 2.000 . 3.500 2.633 2.321 2.915 . 0 0 "[ . 1 . 2]" 1
274 1 23 VAL H 1 24 TRP HA 2.000 . 5.000 4.444 4.273 4.541 . 0 0 "[ . 1 . 2]" 1
275 1 23 VAL MG1 1 32 PRO QB 2.000 . 7.000 4.267 3.315 4.955 . 0 0 "[ . 1 . 2]" 1
276 1 23 VAL MG2 1 32 PRO QB 2.000 . 7.000 2.727 1.831 3.810 . 0 0 "[ . 1 . 2]" 1
277 1 23 VAL QG 1 31 SER QB 2.000 . 8.400 3.507 3.091 4.012 . 0 0 "[ . 1 . 2]" 1
278 1 23 VAL QG 1 32 PRO HA 2.000 . 7.400 2.965 2.268 4.660 . 0 0 "[ . 1 . 2]" 1
279 1 23 VAL MG1 1 32 PRO QD 2.000 . 7.000 3.581 2.621 4.575 . 0 0 "[ . 1 . 2]" 1
280 1 23 VAL MG2 1 32 PRO QD 2.000 . 7.000 1.853 1.590 2.441 0.210 15 0 "[ . 1 . 2]" 1
281 1 23 VAL QG 1 35 PHE QD 2.000 . 9.800 3.903 2.789 5.716 . 0 0 "[ . 1 . 2]" 1
282 1 23 VAL QG 1 35 PHE QE 2.000 . 9.800 4.079 2.094 5.744 . 0 0 "[ . 1 . 2]" 1
283 1 23 VAL H 1 24 TRP H 2.000 . 5.000 4.030 3.884 4.249 . 0 0 "[ . 1 . 2]" 1
284 1 23 VAL H 1 30 LYS QB 2.000 . 6.000 4.284 4.175 4.393 . 0 0 "[ . 1 . 2]" 1
285 1 23 VAL H 1 30 LYS QG 2.000 . 6.000 4.923 4.537 5.210 . 0 0 "[ . 1 . 2]" 1
286 1 23 VAL QG 1 30 LYS QB 2.000 . 8.400 4.638 4.230 5.204 . 0 0 "[ . 1 . 2]" 1
287 1 23 VAL QG 1 33 PHE QD 2.000 . 9.800 5.105 4.267 5.491 . 0 0 "[ . 1 . 2]" 1
288 1 24 TRP HA 1 24 TRP HD1 2.000 . 5.000 4.490 4.440 4.543 . 0 0 "[ . 1 . 2]" 1
289 1 24 TRP HA 1 24 TRP HE3 2.000 . 3.500 3.076 2.869 3.230 . 0 0 "[ . 1 . 2]" 1
290 1 24 TRP QB 1 24 TRP HZ3 2.000 . 6.000 4.783 4.726 4.859 . 0 0 "[ . 1 . 2]" 1
291 1 24 TRP H 1 24 TRP QB 2.000 . 4.500 2.118 2.073 2.158 . 0 0 "[ . 1 . 2]" 1
292 1 24 TRP H 1 24 TRP HE3 2.000 . 5.000 5.133 5.077 5.177 0.177 18 0 "[ . 1 . 2]" 1
293 1 24 TRP H 1 25 ASN H 2.000 . 5.000 4.534 4.513 4.563 . 0 0 "[ . 1 . 2]" 1
294 1 24 TRP HA 1 25 ASN H 2.000 . 2.700 2.356 2.298 2.410 . 0 0 "[ . 1 . 2]" 1
295 1 24 TRP HA 1 25 ASN QB 2.000 . 6.000 3.814 3.700 4.483 . 0 0 "[ . 1 . 2]" 1
296 1 24 TRP HA 1 28 ASP QB 2.000 . 6.000 4.366 4.279 4.470 . 0 0 "[ . 1 . 2]" 1
297 1 24 TRP HA 1 29 CYS HB3 2.000 . 5.000 4.606 4.521 4.711 . 0 0 "[ . 1 . 2]" 1
298 1 24 TRP HA 1 29 CYS HB2 2.000 . 5.000 4.417 4.241 4.499 . 0 0 "[ . 1 . 2]" 1
299 1 24 TRP HA 1 28 ASP H 2.000 . 5.000 4.206 4.119 4.309 . 0 0 "[ . 1 . 2]" 1
300 1 24 TRP HA 1 29 CYS HA 2.000 . 2.700 1.770 1.727 1.820 0.073 15 0 "[ . 1 . 2]" 1
301 1 24 TRP HA 1 29 CYS H 2.000 . 5.000 4.235 4.129 4.293 . 0 0 "[ . 1 . 2]" 1
302 1 24 TRP HA 1 30 LYS H 2.000 . 3.500 2.488 2.421 2.569 . 0 0 "[ . 1 . 2]" 1
303 1 24 TRP HA 1 30 LYS QE 2.000 . 6.000 5.228 4.899 5.436 . 0 0 "[ . 1 . 2]" 1
304 1 24 TRP HB2 1 29 CYS H 2.000 . 5.000 4.772 4.533 5.017 0.017 14 0 "[ . 1 . 2]" 1
305 1 24 TRP HB3 1 29 CYS HA 2.000 . 5.000 3.902 3.764 4.085 . 0 0 "[ . 1 . 2]" 1
306 1 24 TRP HB2 1 29 CYS HA 2.000 . 3.500 2.506 2.328 2.758 . 0 0 "[ . 1 . 2]" 1
307 1 24 TRP HB3 1 30 LYS H 2.000 . 5.000 5.183 5.089 5.275 0.275 12 0 "[ . 1 . 2]" 1
308 1 24 TRP HB2 1 30 LYS H 2.000 . 5.000 4.328 4.209 4.483 . 0 0 "[ . 1 . 2]" 1
309 1 24 TRP HB3 1 25 ASN H 2.000 . 3.500 3.702 3.641 3.740 0.240 14 0 "[ . 1 . 2]" 1
310 1 24 TRP HB2 1 25 ASN H 2.000 . 3.500 3.437 3.383 3.504 0.004 14 0 "[ . 1 . 2]" 1
311 1 24 TRP HB3 1 29 CYS QB 2.000 . 6.000 5.155 4.839 5.417 . 0 0 "[ . 1 . 2]" 1
312 1 24 TRP HB2 1 29 CYS QB 2.000 . 5.000 3.634 3.265 3.926 . 0 0 "[ . 1 . 2]" 1
313 1 24 TRP HD1 1 25 ASN H 2.000 . 5.000 3.633 3.551 3.716 . 0 0 "[ . 1 . 2]" 1
314 1 24 TRP HD1 1 25 ASN HA 2.000 . 5.000 3.694 3.489 3.978 . 0 0 "[ . 1 . 2]" 1
315 1 24 TRP HD1 1 25 ASN QB 2.000 . 6.000 5.164 5.021 5.421 . 0 0 "[ . 1 . 2]" 1
316 1 24 TRP HD1 1 26 GLY QA 2.000 . 6.000 5.152 4.717 5.231 . 0 0 "[ . 1 . 2]" 1
317 1 24 TRP HD1 1 28 ASP H 2.000 . 5.000 5.196 5.151 5.266 0.266 12 0 "[ . 1 . 2]" 1
318 1 24 TRP HE1 1 26 GLY QA 2.000 . 4.500 3.687 3.032 3.780 . 0 0 "[ . 1 . 2]" 1
319 1 24 TRP HE1 1 26 GLY H 2.000 . 5.000 4.799 2.816 5.105 0.105 15 0 "[ . 1 . 2]" 1
320 1 24 TRP HE1 1 27 PHE HA 2.000 . 5.000 4.591 4.479 4.714 . 0 0 "[ . 1 . 2]" 1
321 1 24 TRP HE1 1 27 PHE H 2.000 . 5.000 4.959 4.626 5.030 0.030 5 0 "[ . 1 . 2]" 1
322 1 24 TRP HE3 1 25 ASN H 2.000 . 3.500 3.219 3.055 3.332 . 0 0 "[ . 1 . 2]" 1
323 1 24 TRP HE3 1 28 ASP H 2.000 . 5.000 3.187 3.122 3.325 . 0 0 "[ . 1 . 2]" 1
324 1 24 TRP HE3 1 29 CYS H 2.000 . 3.500 2.756 2.571 3.027 . 0 0 "[ . 1 . 2]" 1
325 1 24 TRP HE3 1 30 LYS H 2.000 . 5.000 4.512 4.289 4.703 . 0 0 "[ . 1 . 2]" 1
326 1 24 TRP HE3 1 28 ASP HA 2.000 . 4.000 3.259 3.116 3.464 . 0 0 "[ . 1 . 2]" 1
327 1 24 TRP HE3 1 28 ASP QB 2.000 . 4.500 4.282 4.255 4.317 . 0 0 "[ . 1 . 2]" 1
328 1 24 TRP HH2 1 28 ASP H 2.000 . 5.000 3.481 3.368 3.560 . 0 0 "[ . 1 . 2]" 1
329 1 24 TRP HH2 1 28 ASP HA 2.000 . 5.000 4.075 3.908 4.198 . 0 0 "[ . 1 . 2]" 1
330 1 24 TRP HZ2 1 27 PHE HA 2.000 . 3.500 2.363 2.236 2.475 . 0 0 "[ . 1 . 2]" 1
331 1 24 TRP HZ2 1 27 PHE QD 2.000 . 7.400 3.957 2.309 5.487 . 0 0 "[ . 1 . 2]" 1
332 1 24 TRP HZ2 1 28 ASP H 2.000 . 5.000 3.783 3.658 3.844 . 0 0 "[ . 1 . 2]" 1
333 1 24 TRP HZ2 1 26 GLY QA 2.000 . 6.000 4.153 3.608 4.260 . 0 0 "[ . 1 . 2]" 1
334 1 24 TRP HZ3 1 25 ASN H 2.000 . 5.000 4.687 4.537 4.815 . 0 0 "[ . 1 . 2]" 1
335 1 24 TRP HZ3 1 27 PHE HA 2.000 . 5.000 3.736 3.680 3.823 . 0 0 "[ . 1 . 2]" 1
336 1 24 TRP HZ3 1 27 PHE H 2.000 . 5.000 5.243 5.146 5.278 0.278 17 0 "[ . 1 . 2]" 1
337 1 24 TRP HZ3 1 29 CYS H 2.000 . 3.500 3.183 2.895 3.524 0.024 9 0 "[ . 1 . 2]" 1
338 1 24 TRP HZ3 1 28 ASP HA 2.000 . 3.500 2.403 2.254 2.529 . 0 0 "[ . 1 . 2]" 1
339 1 24 TRP HZ3 1 28 ASP H 2.000 . 5.000 3.161 3.081 3.237 . 0 0 "[ . 1 . 2]" 1
340 1 24 TRP HZ3 1 28 ASP HB3 2.000 . 5.000 4.873 4.751 4.963 . 0 0 "[ . 1 . 2]" 1
341 1 24 TRP HZ3 1 28 ASP HB2 2.000 . 5.000 4.970 4.872 5.044 0.044 8 0 "[ . 1 . 2]" 1
342 1 24 TRP HE3 1 29 CYS HA 2.000 . 3.500 2.467 2.220 2.654 . 0 0 "[ . 1 . 2]" 1
343 1 24 TRP HH2 1 27 PHE QD 2.000 . 7.400 3.185 2.213 5.126 . 0 0 "[ . 1 . 2]" 1
344 1 24 TRP HZ3 1 29 CYS HA 2.000 . 5.000 4.671 4.393 4.876 . 0 0 "[ . 1 . 2]" 1
345 1 24 TRP HE3 1 29 CYS HB3 2.000 . 5.000 3.884 3.623 4.076 . 0 0 "[ . 1 . 2]" 1
346 1 24 TRP HE3 1 29 CYS HB2 2.000 . 3.500 2.564 2.145 2.843 . 0 0 "[ . 1 . 2]" 1
347 1 24 TRP HE3 1 25 ASN QB 2.000 . 6.000 5.258 5.083 5.452 . 0 0 "[ . 1 . 2]" 1
348 1 24 TRP H 1 29 CYS HA 2.000 . 5.000 3.759 3.643 3.984 . 0 0 "[ . 1 . 2]" 1
349 1 25 ASN H 1 25 ASN QB 2.000 . 3.500 2.723 2.610 2.952 . 0 0 "[ . 1 . 2]" 1
350 1 25 ASN HA 1 26 GLY H 2.000 . 5.000 2.552 2.152 2.637 . 0 0 "[ . 1 . 2]" 1
351 1 25 ASN HA 1 35 PHE QD 2.000 . 7.400 5.178 4.499 5.976 . 0 0 "[ . 1 . 2]" 1
352 1 25 ASN HA 1 35 PHE QB 2.000 . 6.000 5.329 5.174 5.433 . 0 0 "[ . 1 . 2]" 1
353 1 25 ASN QB 1 25 ASN QD 2.000 . 5.500 2.088 2.062 2.196 . 0 0 "[ . 1 . 2]" 1
354 1 25 ASN H 1 25 ASN QD 2.000 . 6.000 4.764 3.662 5.071 . 0 0 "[ . 1 . 2]" 1
355 1 25 ASN QB 1 28 ASP H 2.000 . 6.000 3.417 3.023 3.900 . 0 0 "[ . 1 . 2]" 1
356 1 25 ASN QB 1 28 ASP QB 2.000 . 7.000 2.936 2.654 3.164 . 0 0 "[ . 1 . 2]" 1
357 1 25 ASN QB 1 35 PHE QB 2.000 . 7.000 3.305 2.857 3.571 . 0 0 "[ . 1 . 2]" 1
358 1 25 ASN QB 1 35 PHE QD 2.000 . 8.400 2.855 2.017 3.567 . 0 0 "[ . 1 . 2]" 1
359 1 25 ASN QB 1 35 PHE QE 2.000 . 8.400 2.863 1.925 4.068 . 0 0 "[ . 1 . 2]" 1
360 1 25 ASN QD 1 27 PHE H 2.000 . 6.000 3.492 2.510 3.979 . 0 0 "[ . 1 . 2]" 1
361 1 25 ASN QD 1 28 ASP H 2.000 . 6.000 4.903 3.798 5.408 . 0 0 "[ . 1 . 2]" 1
362 1 25 ASN QD 1 27 PHE QB 2.000 . 7.000 5.164 4.864 5.442 . 0 0 "[ . 1 . 2]" 1
363 1 25 ASN QD 1 35 PHE QB 2.000 . 7.000 3.232 2.442 4.467 . 0 0 "[ . 1 . 2]" 1
364 1 25 ASN H 1 27 PHE H 2.000 . 5.000 3.761 3.714 3.838 . 0 0 "[ . 1 . 2]" 1
365 1 25 ASN H 1 28 ASP H 2.000 . 3.500 2.409 2.301 2.491 . 0 0 "[ . 1 . 2]" 1
366 1 25 ASN H 1 28 ASP HB3 2.000 . 5.000 4.653 4.512 4.869 . 0 0 "[ . 1 . 2]" 1
367 1 25 ASN H 1 28 ASP HB2 2.000 . 4.000 3.962 3.675 4.044 0.044 16 0 "[ . 1 . 2]" 1
368 1 25 ASN QD 1 28 ASP QB 2.000 . 7.000 4.105 1.873 4.714 . 0 0 "[ . 1 . 2]" 1
369 1 25 ASN H 1 29 CYS HA 2.000 . 3.500 3.567 3.546 3.602 0.102 14 0 "[ . 1 . 2]" 1
370 1 25 ASN H 1 29 CYS H 2.000 . 5.000 4.769 4.643 4.856 . 0 0 "[ . 1 . 2]" 1
371 1 25 ASN H 1 30 LYS H 2.000 . 5.000 4.342 4.020 4.492 . 0 0 "[ . 1 . 2]" 1
372 1 26 GLY QA 1 27 PHE H 2.000 . 4.500 2.810 2.615 2.848 . 0 0 "[ . 1 . 2]" 1
373 1 26 GLY QA 1 28 ASP H 2.000 . 6.000 4.522 4.238 4.577 . 0 0 "[ . 1 . 2]" 1
374 1 26 GLY H 1 27 PHE H 2.000 . 3.500 3.232 3.043 3.661 0.161 14 0 "[ . 1 . 2]" 1
375 1 26 GLY H 1 28 ASP H 2.000 . 5.000 4.712 4.396 4.789 . 0 0 "[ . 1 . 2]" 1
376 1 26 GLY QA 1 27 PHE QD 2.000 . 7.400 3.736 2.754 4.356 . 0 0 "[ . 1 . 2]" 1
377 1 26 GLY QA 1 27 PHE QE 2.000 . 7.400 4.833 3.381 5.816 . 0 0 "[ . 1 . 2]" 1
378 1 27 PHE H 1 27 PHE QB 2.000 . 3.500 2.918 2.744 3.340 . 0 0 "[ . 1 . 2]" 1
379 1 27 PHE H 1 27 PHE QD 2.000 . 7.400 3.762 1.878 4.414 . 0 0 "[ . 1 . 2]" 1
380 1 27 PHE HA 1 27 PHE QD 2.000 . 5.500 2.712 1.818 3.713 . 0 0 "[ . 1 . 2]" 1
381 1 27 PHE QB 1 27 PHE QD 2.000 . 5.500 2.149 2.122 2.249 . 0 0 "[ . 1 . 2]" 1
382 1 27 PHE HA 1 28 ASP H 2.000 . 2.700 2.793 2.735 2.909 0.209 8 0 "[ . 1 . 2]" 1
383 1 27 PHE QB 1 28 ASP H 2.000 . 4.500 3.933 3.815 4.090 . 0 0 "[ . 1 . 2]" 1
384 1 27 PHE H 1 28 ASP H 2.000 . 2.700 2.396 2.218 2.467 . 0 0 "[ . 1 . 2]" 1
385 1 28 ASP H 1 28 ASP HB3 2.000 . 4.000 3.922 3.882 4.002 0.002 8 0 "[ . 1 . 2]" 1
386 1 28 ASP H 1 28 ASP HB2 2.000 . 3.000 2.993 2.964 3.022 0.022 8 0 "[ . 1 . 2]" 1
387 1 28 ASP HA 1 29 CYS QB 2.000 . 6.000 3.949 3.884 4.012 . 0 0 "[ . 1 . 2]" 1
388 1 28 ASP HA 1 29 CYS H 2.000 . 2.700 2.194 2.140 2.275 . 0 0 "[ . 1 . 2]" 1
389 1 28 ASP HB3 1 29 CYS H 2.000 . 3.500 3.054 2.795 3.300 . 0 0 "[ . 1 . 2]" 1
390 1 28 ASP HB2 1 29 CYS H 2.000 . 5.000 4.189 3.992 4.347 . 0 0 "[ . 1 . 2]" 1
391 1 28 ASP H 1 29 CYS HA 2.000 . 5.000 4.592 4.530 4.664 . 0 0 "[ . 1 . 2]" 1
392 1 28 ASP H 1 29 CYS H 2.000 . 5.000 4.197 4.073 4.306 . 0 0 "[ . 1 . 2]" 1
393 1 28 ASP QB 1 30 LYS QE 2.000 . 7.000 2.786 2.347 3.237 . 0 0 "[ . 1 . 2]" 1
394 1 28 ASP QB 1 35 PHE QE 2.000 . 8.400 2.148 1.827 2.647 . 0 0 "[ . 1 . 2]" 1
395 1 29 CYS H 1 29 CYS QB 2.000 . 4.500 2.258 2.194 2.340 . 0 0 "[ . 1 . 2]" 1
396 1 29 CYS HB3 1 30 LYS H 2.000 . 4.000 4.114 4.058 4.242 0.242 7 0 "[ . 1 . 2]" 1
397 1 29 CYS HB2 1 30 LYS H 2.000 . 5.000 4.669 4.640 4.687 . 0 0 "[ . 1 . 2]" 1
398 1 29 CYS H 1 30 LYS H 2.000 . 5.000 4.064 3.973 4.120 . 0 0 "[ . 1 . 2]" 1
399 1 29 CYS H 1 30 LYS QG 2.000 . 6.000 4.509 2.978 5.485 . 0 0 "[ . 1 . 2]" 1
400 1 29 CYS HA 1 30 LYS QD 2.000 . 6.000 4.944 4.790 5.062 . 0 0 "[ . 1 . 2]" 1
401 1 29 CYS HA 1 30 LYS H 2.000 . 2.700 2.254 2.208 2.295 . 0 0 "[ . 1 . 2]" 1
402 1 29 CYS QB 1 30 LYS QG 2.000 . 7.000 4.527 3.898 5.186 . 0 0 "[ . 1 . 2]" 1
403 1 30 LYS H 1 30 LYS HA 2.000 . 3.000 2.859 2.846 2.874 . 0 0 "[ . 1 . 2]" 1
404 1 30 LYS H 1 30 LYS QB 2.000 . 4.500 2.984 2.771 3.359 . 0 0 "[ . 1 . 2]" 1
405 1 30 LYS H 1 30 LYS QD 2.000 . 6.000 4.319 4.142 4.461 . 0 0 "[ . 1 . 2]" 1
406 1 30 LYS H 1 30 LYS QG 2.000 . 4.500 3.626 2.598 4.303 . 0 0 "[ . 1 . 2]" 1
407 1 30 LYS H 1 31 SER HA 2.000 . 5.000 5.008 4.898 5.105 0.105 20 0 "[ . 1 . 2]" 1
408 1 30 LYS H 1 31 SER H 2.000 . 5.000 4.328 4.243 4.383 . 0 0 "[ . 1 . 2]" 1
409 1 30 LYS HA 1 31 SER H 2.000 . 2.700 2.317 2.187 2.434 . 0 0 "[ . 1 . 2]" 1
410 1 30 LYS QB 1 31 SER H 2.000 . 4.500 2.772 2.284 3.235 . 0 0 "[ . 1 . 2]" 1
411 1 30 LYS QD 1 31 SER H 2.000 . 6.000 4.400 3.980 4.870 . 0 0 "[ . 1 . 2]" 1
412 1 30 LYS QG 1 31 SER H 2.000 . 4.500 3.379 2.539 4.320 . 0 0 "[ . 1 . 2]" 1
413 1 30 LYS QB 1 35 PHE HZ 2.000 . 6.000 2.859 1.954 4.078 . 0 0 "[ . 1 . 2]" 1
414 1 30 LYS QD 1 35 PHE HZ 2.000 . 6.000 4.683 3.794 5.334 . 0 0 "[ . 1 . 2]" 1
415 1 30 LYS QE 1 35 PHE QE 2.000 . 8.400 3.887 3.086 4.760 . 0 0 "[ . 1 . 2]" 1
416 1 30 LYS QE 1 35 PHE HZ 2.000 . 6.000 3.351 2.035 4.891 . 0 0 "[ . 1 . 2]" 1
417 1 30 LYS QB 1 35 PHE QE 2.000 . 8.400 2.581 1.843 4.070 . 0 0 "[ . 1 . 2]" 1
418 1 31 SER H 1 31 SER QB 2.000 . 3.500 2.561 2.064 2.934 . 0 0 "[ . 1 . 2]" 1
419 1 31 SER HA 1 32 PRO QD 2.000 . 4.500 2.107 1.939 2.287 . 0 0 "[ . 1 . 2]" 1
420 1 31 SER HA 1 32 PRO QG 2.000 . 6.000 3.976 3.675 4.215 . 0 0 "[ . 1 . 2]" 1
421 1 31 SER HA 1 32 PRO QB 2.000 . 6.000 4.663 4.490 4.897 . 0 0 "[ . 1 . 2]" 1
422 1 31 SER HA 1 34 ALA H 2.000 . 5.000 5.041 4.961 5.101 0.101 13 0 "[ . 1 . 2]" 1
423 1 31 SER QB 1 34 ALA MB 2.000 . 7.500 4.127 3.641 4.797 . 0 0 "[ . 1 . 2]" 1
424 1 31 SER QB 1 33 PHE QD 2.000 . 8.400 2.701 2.203 3.234 . 0 0 "[ . 1 . 2]" 1
425 1 31 SER QB 1 33 PHE QE 2.000 . 8.400 2.878 2.308 3.828 . 0 0 "[ . 1 . 2]" 1
426 1 31 SER QB 1 35 PHE QE 2.000 . 8.400 5.553 4.224 6.327 . 0 0 "[ . 1 . 2]" 1
427 1 32 PRO QB 1 32 PRO QD 2.000 . 7.000 2.804 2.754 2.910 . 0 0 "[ . 1 . 2]" 1
428 1 32 PRO HA 1 33 PHE H 2.000 . 3.500 3.399 3.231 3.502 0.002 15 0 "[ . 1 . 2]" 1
429 1 32 PRO HA 1 33 PHE QB 2.000 . 6.000 5.463 5.390 5.535 . 0 0 "[ . 1 . 2]" 1
430 1 32 PRO HA 1 34 ALA MB 2.000 . 6.000 4.792 4.210 4.979 . 0 0 "[ . 1 . 2]" 1
431 1 32 PRO QB 1 33 PHE H 2.000 . 4.500 3.358 2.869 3.781 . 0 0 "[ . 1 . 2]" 1
432 1 32 PRO QB 1 33 PHE QE 2.000 . 8.400 4.237 3.694 4.928 . 0 0 "[ . 1 . 2]" 1
433 1 32 PRO QD 1 33 PHE QD 2.000 . 8.400 3.385 2.803 4.030 . 0 0 "[ . 1 . 2]" 1
434 1 32 PRO QD 1 33 PHE H 2.000 . 4.500 2.575 2.292 3.036 . 0 0 "[ . 1 . 2]" 1
435 1 32 PRO QG 1 33 PHE QD 2.000 . 8.400 3.420 2.297 4.751 . 0 0 "[ . 1 . 2]" 1
436 1 32 PRO QG 1 33 PHE QE 2.000 . 8.400 3.129 1.956 4.540 . 0 0 "[ . 1 . 2]" 1
437 1 32 PRO QG 1 33 PHE H 2.000 . 4.500 3.335 2.378 4.100 . 0 0 "[ . 1 . 2]" 1
438 1 33 PHE H 1 33 PHE HA 2.000 . 3.000 2.815 2.702 2.925 . 0 0 "[ . 1 . 2]" 1
439 1 33 PHE HA 1 33 PHE QD 2.000 . 5.500 2.465 2.306 2.740 . 0 0 "[ . 1 . 2]" 1
440 1 33 PHE H 1 33 PHE QB 2.000 . 4.500 2.770 2.724 2.861 . 0 0 "[ . 1 . 2]" 1
441 1 33 PHE H 1 33 PHE QD 2.000 . 5.900 2.602 2.299 3.034 . 0 0 "[ . 1 . 2]" 1
442 1 33 PHE HA 1 34 ALA H 2.000 . 3.500 3.421 3.323 3.497 . 0 0 "[ . 1 . 2]" 1
443 1 33 PHE HA 1 34 ALA MB 2.000 . 6.000 4.863 4.728 4.972 . 0 0 "[ . 1 . 2]" 1
444 1 33 PHE QB 1 34 ALA HA 2.000 . 6.000 4.046 3.837 4.218 . 0 0 "[ . 1 . 2]" 1
445 1 33 PHE QB 1 34 ALA MB 2.000 . 6.500 3.534 3.223 3.894 . 0 0 "[ . 1 . 2]" 1
446 1 33 PHE QE 1 34 ALA MB 2.000 . 8.400 6.180 5.936 6.295 . 0 0 "[ . 1 . 2]" 1
447 1 33 PHE H 1 35 PHE QD 2.000 . 7.400 5.187 4.273 6.567 . 0 0 "[ . 1 . 2]" 1
448 1 34 ALA H 1 34 ALA HA 2.000 . 3.000 2.931 2.843 2.953 . 0 0 "[ . 1 . 2]" 1
449 1 34 ALA H 1 34 ALA MB 2.000 . 4.500 2.346 2.189 2.518 . 0 0 "[ . 1 . 2]" 1
450 1 34 ALA HA 1 35 PHE H 2.000 . 2.700 2.785 2.571 2.940 0.240 12 0 "[ . 1 . 2]" 1
451 1 34 ALA MB 1 35 PHE H 2.000 . 4.500 3.307 1.801 3.723 . 0 0 "[ . 1 . 2]" 1
452 1 34 ALA MB 1 35 PHE QD 2.000 . 8.400 3.469 2.897 4.148 . 0 0 "[ . 1 . 2]" 1
453 1 34 ALA MB 1 36 SER H 2.000 . 6.000 4.902 3.822 5.072 . 0 0 "[ . 1 . 2]" 1
454 1 35 PHE H 1 35 PHE QB 2.000 . 6.000 2.920 2.727 3.067 . 0 0 "[ . 1 . 2]" 1
455 1 35 PHE HA 1 36 SER H 2.000 . 3.500 2.876 2.232 3.533 0.033 17 0 "[ . 1 . 2]" 1
456 1 35 PHE HA 1 36 SER QB 2.000 . 6.000 4.530 3.854 5.328 . 0 0 "[ . 1 . 2]" 1
457 1 35 PHE QB 1 36 SER H 2.000 . 6.000 3.539 1.911 3.910 . 0 0 "[ . 1 . 2]" 1
458 1 36 SER H 1 36 SER QB 2.000 . 6.000 2.764 2.045 3.267 . 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 10
_Distance_constraint_stats_list.Viol_count 44
_Distance_constraint_stats_list.Viol_total 68.815
_Distance_constraint_stats_list.Viol_max 0.228
_Distance_constraint_stats_list.Viol_rms 0.0422
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0172
_Distance_constraint_stats_list.Viol_average_violations_only 0.0782
_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 12 ILE 0.155 0.047 5 0 "[ . 1 . 2]"
1 17 ASN 0.155 0.047 5 0 "[ . 1 . 2]"
1 23 VAL 0.854 0.228 15 0 "[ . 1 . 2]"
1 25 ASN 2.431 0.172 19 0 "[ . 1 . 2]"
1 28 ASP 2.431 0.172 19 0 "[ . 1 . 2]"
1 30 LYS 0.854 0.228 15 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 12 ILE H 1 17 ASN OD1 2.000 . 2.400 2.215 1.910 2.447 0.047 5 0 "[ . 1 . 2]" 2
2 1 12 ILE N 1 17 ASN OD1 3.000 2.700 3.400 3.001 2.722 3.250 . 0 0 "[ . 1 . 2]" 2
3 1 23 VAL H 1 30 LYS O 2.000 . 2.400 2.223 1.897 2.628 0.228 15 0 "[ . 1 . 2]" 2
4 1 23 VAL N 1 30 LYS O 3.000 2.700 3.400 3.003 2.699 3.428 0.028 15 0 "[ . 1 . 2]" 2
5 1 25 ASN H 1 28 ASP O 2.000 . 2.400 1.870 1.742 2.008 . 0 0 "[ . 1 . 2]" 2
6 1 25 ASN N 1 28 ASP O 3.000 2.700 3.400 2.591 2.528 2.644 0.172 19 0 "[ . 1 . 2]" 2
7 1 25 ASN O 1 28 ASP H 2.000 . 2.400 2.320 2.223 2.537 0.137 8 0 "[ . 1 . 2]" 2
8 1 25 ASN O 1 28 ASP N 3.000 2.700 3.400 3.203 3.074 3.287 . 0 0 "[ . 1 . 2]" 2
9 1 23 VAL O 1 30 LYS H 2.000 . 2.400 2.253 1.846 2.470 0.070 7 0 "[ . 1 . 2]" 2
10 1 23 VAL O 1 30 LYS N 3.000 2.700 3.400 3.123 2.663 3.367 0.037 19 0 "[ . 1 . 2]" 2
stop_
save_