NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
522675 |
2lkb   |
17988 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lkb
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 613
_Distance_constraint_stats_list.Viol_count 1477
_Distance_constraint_stats_list.Viol_total 1710.541
_Distance_constraint_stats_list.Viol_max 0.308
_Distance_constraint_stats_list.Viol_rms 0.0234
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0070
_Distance_constraint_stats_list.Viol_average_violations_only 0.0579
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ALA 0.628 0.154 17 0 "[ . 1 . 2]"
1 2 ARG 1.537 0.153 17 0 "[ . 1 . 2]"
1 3 ASP 2.763 0.139 5 0 "[ . 1 . 2]"
1 4 ALA 2.515 0.087 8 0 "[ . 1 . 2]"
1 5 TYR 2.453 0.141 15 0 "[ . 1 . 2]"
1 6 ILE 4.127 0.141 15 0 "[ . 1 . 2]"
1 7 ALA 3.329 0.200 4 0 "[ . 1 . 2]"
1 8 LYS 2.796 0.099 18 0 "[ . 1 . 2]"
1 9 PRO 0.984 0.057 3 0 "[ . 1 . 2]"
1 10 HIS 2.238 0.099 18 0 "[ . 1 . 2]"
1 11 ASN 1.107 0.059 14 0 "[ . 1 . 2]"
1 12 CYS 1.341 0.200 4 0 "[ . 1 . 2]"
1 13 VAL 0.680 0.139 7 0 "[ . 1 . 2]"
1 14 TYR 1.760 0.158 10 0 "[ . 1 . 2]"
1 15 GLU 1.608 0.156 4 0 "[ . 1 . 2]"
1 16 CYS 3.625 0.205 13 0 "[ . 1 . 2]"
1 17 PHE 2.829 0.156 4 0 "[ . 1 . 2]"
1 18 ASP 1.533 0.118 18 0 "[ . 1 . 2]"
1 19 ALA 0.907 0.097 17 0 "[ . 1 . 2]"
1 20 PHE 0.048 0.040 15 0 "[ . 1 . 2]"
1 21 SER 1.539 0.130 13 0 "[ . 1 . 2]"
1 22 SER 0.606 0.076 7 0 "[ . 1 . 2]"
1 23 TYR 3.405 0.118 18 0 "[ . 1 . 2]"
1 24 CYS 2.914 0.085 13 0 "[ . 1 . 2]"
1 25 ASN 2.994 0.094 10 0 "[ . 1 . 2]"
1 26 GLY 0.873 0.072 17 0 "[ . 1 . 2]"
1 27 VAL 1.338 0.070 20 0 "[ . 1 . 2]"
1 28 CYS 1.522 0.070 20 0 "[ . 1 . 2]"
1 29 THR 2.585 0.118 20 0 "[ . 1 . 2]"
1 30 LYS 3.658 0.118 20 0 "[ . 1 . 2]"
1 31 ASN 0.658 0.052 19 0 "[ . 1 . 2]"
1 32 GLY 0.480 0.036 3 0 "[ . 1 . 2]"
1 33 ALA 2.715 0.186 6 0 "[ . 1 . 2]"
1 34 LYS 2.798 0.264 10 0 "[ . 1 . 2]"
1 35 SER 3.403 0.186 6 0 "[ . 1 . 2]"
1 36 GLY 3.441 0.264 10 0 "[ . 1 . 2]"
1 37 TYR 1.914 0.189 1 0 "[ . 1 . 2]"
1 38 CYS 3.644 0.216 13 0 "[ . 1 . 2]"
1 39 GLN 3.017 0.190 14 0 "[ . 1 . 2]"
1 40 ILE 2.342 0.247 14 0 "[ . 1 . 2]"
1 41 LEU 4.761 0.247 14 0 "[ . 1 . 2]"
1 42 GLY 0.293 0.110 6 0 "[ . 1 . 2]"
1 43 THR 2.235 0.110 6 0 "[ . 1 . 2]"
1 44 TYR 0.728 0.089 11 0 "[ . 1 . 2]"
1 45 GLY 0.021 0.021 12 0 "[ . 1 . 2]"
1 46 ASN 5.005 0.226 1 0 "[ . 1 . 2]"
1 47 GLY 0.687 0.083 19 0 "[ . 1 . 2]"
1 48 CYS 3.360 0.216 13 0 "[ . 1 . 2]"
1 49 TRP 4.043 0.111 7 0 "[ . 1 . 2]"
1 50 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 ILE 3.204 0.108 19 0 "[ . 1 . 2]"
1 52 ALA 1.205 0.201 15 0 "[ . 1 . 2]"
1 53 LEU 2.116 0.201 15 0 "[ . 1 . 2]"
1 54 PRO 1.412 0.207 9 0 "[ . 1 . 2]"
1 55 ASP 0.474 0.070 2 0 "[ . 1 . 2]"
1 56 ASN 2.438 0.207 9 0 "[ . 1 . 2]"
1 57 VAL 0.941 0.095 18 0 "[ . 1 . 2]"
1 58 PRO 3.303 0.308 18 0 "[ . 1 . 2]"
1 59 ILE 5.013 0.308 18 0 "[ . 1 . 2]"
1 60 ARG 4.099 0.216 18 0 "[ . 1 . 2]"
1 61 ILE 4.007 0.248 5 0 "[ . 1 . 2]"
1 62 PRO 0.598 0.248 5 0 "[ . 1 . 2]"
1 63 GLY 1.195 0.075 10 0 "[ . 1 . 2]"
1 64 LYS 2.237 0.169 8 0 "[ . 1 . 2]"
1 65 CYS 2.274 0.169 8 0 "[ . 1 . 2]"
1 66 HIS 0.288 0.075 20 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 ALA HA 1 2 ARG QG 1.800 . 6.000 5.560 4.208 6.077 0.077 12 0 "[ . 1 . 2]" 1
2 1 1 ALA HA 1 2 ARG H 1.800 . 3.500 2.910 2.221 3.572 0.072 12 0 "[ . 1 . 2]" 1
3 1 1 ALA HA 1 2 ARG QB 1.800 . 6.000 4.339 3.986 5.002 . 0 0 "[ . 1 . 2]" 1
4 1 1 ALA MB 1 52 ALA MB 1.800 . 6.000 5.268 4.669 6.003 0.003 3 0 "[ . 1 . 2]" 1
5 1 2 ARG HA 1 2 ARG QD 1.800 . 6.000 4.119 3.964 4.272 . 0 0 "[ . 1 . 2]" 1
6 1 2 ARG HA 1 2 ARG QG 1.800 . 6.000 2.656 2.307 3.305 . 0 0 "[ . 1 . 2]" 1
7 1 2 ARG QB 1 2 ARG QD 1.800 . 6.000 2.206 2.125 2.326 . 0 0 "[ . 1 . 2]" 1
8 1 2 ARG H 1 2 ARG QD 1.800 . 6.000 4.629 4.012 5.072 . 0 0 "[ . 1 . 2]" 1
9 1 2 ARG QD 1 2 ARG QG 1.800 . 6.000 2.072 2.025 2.108 . 0 0 "[ . 1 . 2]" 1
10 1 2 ARG H 1 2 ARG QG 1.800 . 6.000 3.502 2.132 4.115 . 0 0 "[ . 1 . 2]" 1
11 1 2 ARG H 1 3 ASP H 1.800 . 6.000 4.420 4.357 4.545 . 0 0 "[ . 1 . 2]" 1
12 1 2 ARG HA 1 3 ASP H 1.800 . 3.500 2.287 2.202 2.500 . 0 0 "[ . 1 . 2]" 1
13 1 2 ARG HA 1 50 CYS H 1.800 . 6.000 5.031 4.274 5.749 . 0 0 "[ . 1 . 2]" 1
14 1 2 ARG HA 1 51 ILE HA 1.800 . 5.000 3.441 2.689 4.347 . 0 0 "[ . 1 . 2]" 1
15 1 2 ARG HA 1 50 CYS QB 1.800 . 6.000 4.022 3.406 5.026 . 0 0 "[ . 1 . 2]" 1
16 1 2 ARG QB 1 3 ASP H 1.800 . 6.000 3.353 2.414 3.760 . 0 0 "[ . 1 . 2]" 1
17 1 2 ARG QB 1 52 ALA H 1.800 . 6.000 3.425 2.720 4.156 . 0 0 "[ . 1 . 2]" 1
18 1 2 ARG QG 1 3 ASP QB 1.800 . 6.000 4.364 4.089 4.881 . 0 0 "[ . 1 . 2]" 1
19 1 2 ARG QG 1 4 ALA HA 1.800 . 6.000 4.228 4.046 4.602 . 0 0 "[ . 1 . 2]" 1
20 1 2 ARG QD 1 3 ASP QB 1.800 . 6.000 5.956 5.691 6.139 0.139 5 0 "[ . 1 . 2]" 1
21 1 3 ASP H 1 3 ASP HA 1.800 . 2.900 2.971 2.963 2.987 0.087 5 0 "[ . 1 . 2]" 1
22 1 2 ARG QB 1 3 ASP HA 1.800 . 6.000 4.626 4.446 4.707 . 0 0 "[ . 1 . 2]" 1
23 1 3 ASP HA 1 6 ILE HB 1.800 . 6.000 5.363 4.175 6.091 0.091 17 0 "[ . 1 . 2]" 1
24 1 3 ASP H 1 51 ILE HA 1.800 . 6.000 3.927 3.456 4.444 . 0 0 "[ . 1 . 2]" 1
25 1 3 ASP H 1 50 CYS H 1.800 . 6.000 2.942 2.379 3.485 . 0 0 "[ . 1 . 2]" 1
26 1 3 ASP HA 1 4 ALA H 1.800 . 3.500 2.301 2.231 2.372 . 0 0 "[ . 1 . 2]" 1
27 1 3 ASP QB 1 49 TRP HA 1.800 . 6.000 3.389 2.572 4.239 . 0 0 "[ . 1 . 2]" 1
28 1 4 ALA H 1 4 ALA HA 1.800 . 2.900 2.974 2.962 2.987 0.087 8 0 "[ . 1 . 2]" 1
29 1 4 ALA H 1 4 ALA MB 1.800 . 2.900 2.260 2.202 2.354 . 0 0 "[ . 1 . 2]" 1
30 1 4 ALA H 1 5 TYR H 1.800 . 6.000 2.883 2.459 3.140 . 0 0 "[ . 1 . 2]" 1
31 1 4 ALA HA 1 5 TYR H 1.800 . 3.500 3.541 3.491 3.580 0.080 6 0 "[ . 1 . 2]" 1
32 1 4 ALA HA 1 5 TYR QE 1.800 . 6.000 5.291 5.106 5.483 . 0 0 "[ . 1 . 2]" 1
33 1 4 ALA HA 1 49 TRP HA 1.800 . 3.500 3.231 2.967 3.503 0.003 16 0 "[ . 1 . 2]" 1
34 1 4 ALA HA 1 49 TRP HD1 1.800 . 6.000 5.136 3.734 6.065 0.065 19 0 "[ . 1 . 2]" 1
35 1 4 ALA HA 1 50 CYS H 1.800 . 6.000 4.090 3.794 4.342 . 0 0 "[ . 1 . 2]" 1
36 1 3 ASP H 1 4 ALA MB 1.800 . 6.000 5.471 5.316 5.550 . 0 0 "[ . 1 . 2]" 1
37 1 2 ARG QB 1 4 ALA MB 1.800 . 6.000 5.463 5.108 6.033 0.033 11 0 "[ . 1 . 2]" 1
38 1 4 ALA MB 1 5 TYR QE 1.800 . 6.000 2.898 2.500 3.220 . 0 0 "[ . 1 . 2]" 1
39 1 4 ALA MB 1 5 TYR QB 1.800 . 6.000 3.747 3.569 3.920 . 0 0 "[ . 1 . 2]" 1
40 1 5 TYR H 1 5 TYR QB 1.800 . 3.500 2.607 2.476 2.708 . 0 0 "[ . 1 . 2]" 1
41 1 5 TYR HA 1 48 CYS QB 1.800 . 6.000 4.587 4.181 5.212 . 0 0 "[ . 1 . 2]" 1
42 1 5 TYR QB 1 41 LEU HG 1.800 . 6.000 4.647 2.889 6.038 0.038 17 0 "[ . 1 . 2]" 1
43 1 5 TYR QB 1 6 ILE H 1.800 . 6.000 3.307 2.792 3.602 . 0 0 "[ . 1 . 2]" 1
44 1 6 ILE H 1 6 ILE HA 1.800 . 2.900 2.980 2.959 2.988 0.088 14 0 "[ . 1 . 2]" 1
45 1 6 ILE HB 1 6 ILE MD 1.800 . 3.500 2.277 2.226 2.343 . 0 0 "[ . 1 . 2]" 1
46 1 6 ILE H 1 6 ILE MD 1.800 . 6.000 3.764 3.651 3.829 . 0 0 "[ . 1 . 2]" 1
47 1 6 ILE H 1 6 ILE MG 1.800 . 6.000 3.377 2.606 3.849 . 0 0 "[ . 1 . 2]" 1
48 1 6 ILE HA 1 6 ILE QG 1.800 . 6.000 2.782 2.390 3.315 . 0 0 "[ . 1 . 2]" 1
49 1 6 ILE HA 1 7 ALA H 1.800 . 3.500 2.289 2.189 2.446 . 0 0 "[ . 1 . 2]" 1
50 1 6 ILE HA 1 8 LYS HG2 1.800 . 6.000 4.755 3.761 6.017 0.017 17 0 "[ . 1 . 2]" 1
51 1 6 ILE HA 1 12 CYS QB 1.800 . 6.000 3.535 2.244 4.657 . 0 0 "[ . 1 . 2]" 1
52 1 6 ILE HA 1 13 VAL HA 1.800 . 6.000 5.578 5.222 5.818 . 0 0 "[ . 1 . 2]" 1
53 1 6 ILE HA 1 13 VAL HB 1.800 . 6.000 4.332 3.639 4.760 . 0 0 "[ . 1 . 2]" 1
54 1 6 ILE MD 1 7 ALA MB 1.800 . 6.000 5.824 5.360 6.121 0.121 20 0 "[ . 1 . 2]" 1
55 1 6 ILE MD 1 7 ALA H 1.800 . 6.000 4.716 4.162 5.073 . 0 0 "[ . 1 . 2]" 1
56 1 4 ALA H 1 6 ILE QG 1.800 . 6.000 3.838 2.421 5.343 . 0 0 "[ . 1 . 2]" 1
57 1 6 ILE MG 1 13 VAL H 1.800 . 6.000 3.698 3.227 4.132 . 0 0 "[ . 1 . 2]" 1
58 1 5 TYR QD 1 6 ILE MG 1.800 . 6.000 5.337 3.894 6.141 0.141 15 0 "[ . 1 . 2]" 1
59 1 5 TYR H 1 6 ILE HB 1.800 . 6.000 4.924 4.322 5.715 . 0 0 "[ . 1 . 2]" 1
60 1 6 ILE HB 1 13 VAL H 1.800 . 6.000 5.191 3.745 6.049 0.049 1 0 "[ . 1 . 2]" 1
61 1 7 ALA H 1 7 ALA HA 1.800 . 2.900 2.983 2.968 2.990 0.090 2 0 "[ . 1 . 2]" 1
62 1 7 ALA H 1 7 ALA MB 1.800 . 2.900 2.384 2.204 2.526 . 0 0 "[ . 1 . 2]" 1
63 1 7 ALA H 1 13 VAL HB 1.800 . 6.000 4.499 3.628 5.038 . 0 0 "[ . 1 . 2]" 1
64 1 7 ALA HA 1 8 LYS H 1.800 . 3.500 3.278 3.070 3.458 . 0 0 "[ . 1 . 2]" 1
65 1 6 ILE H 1 7 ALA HA 1.800 . 6.000 5.013 4.862 5.208 . 0 0 "[ . 1 . 2]" 1
66 1 6 ILE MG 1 7 ALA MB 1.800 . 6.000 4.413 3.807 5.253 . 0 0 "[ . 1 . 2]" 1
67 1 7 ALA MB 1 8 LYS QB 1.800 . 6.000 4.461 4.097 4.651 . 0 0 "[ . 1 . 2]" 1
68 1 7 ALA MB 1 8 LYS QZ 1.800 . 6.000 3.516 2.628 5.598 . 0 0 "[ . 1 . 2]" 1
69 1 7 ALA MB 1 12 CYS HA 1.800 . 6.000 4.848 3.547 5.433 . 0 0 "[ . 1 . 2]" 1
70 1 7 ALA MB 1 13 VAL HB 1.800 . 6.000 4.153 2.535 4.758 . 0 0 "[ . 1 . 2]" 1
71 1 8 LYS H 1 8 LYS HA 1.800 . 2.900 2.980 2.971 2.986 0.086 11 0 "[ . 1 . 2]" 1
72 1 8 LYS H 1 8 LYS QB 1.800 . 3.500 2.963 2.394 3.193 . 0 0 "[ . 1 . 2]" 1
73 1 8 LYS H 1 8 LYS QG 1.800 . 6.000 2.049 1.793 3.146 0.007 6 0 "[ . 1 . 2]" 1
74 1 8 LYS HA 1 8 LYS QG 1.800 . 6.000 3.118 2.259 3.341 . 0 0 "[ . 1 . 2]" 1
75 1 8 LYS QE 1 8 LYS QZ 1.800 . 2.900 1.851 1.836 1.873 . 0 0 "[ . 1 . 2]" 1
76 1 8 LYS H 1 8 LYS QE 1.800 . 6.000 4.439 3.933 5.643 . 0 0 "[ . 1 . 2]" 1
77 1 8 LYS HA 1 12 CYS HA 1.800 . 6.000 5.918 5.330 6.056 0.056 3 0 "[ . 1 . 2]" 1
78 1 8 LYS QB 1 10 HIS H 1.800 . 6.000 3.152 2.552 4.659 . 0 0 "[ . 1 . 2]" 1
79 1 8 LYS QB 1 9 PRO QG 1.800 . 6.000 3.800 3.629 5.221 . 0 0 "[ . 1 . 2]" 1
80 1 7 ALA H 1 8 LYS QB 1.800 . 6.000 4.455 3.661 4.893 . 0 0 "[ . 1 . 2]" 1
81 1 8 LYS QB 1 12 CYS HA 1.800 . 6.000 4.070 3.204 4.811 . 0 0 "[ . 1 . 2]" 1
82 1 8 LYS QB 1 12 CYS QB 1.800 . 6.000 5.485 4.775 5.820 . 0 0 "[ . 1 . 2]" 1
83 1 8 LYS QB 1 12 CYS H 1.800 . 6.000 4.378 3.474 5.366 . 0 0 "[ . 1 . 2]" 1
84 1 8 LYS QG 1 13 VAL H 1.800 . 6.000 3.964 3.177 4.881 . 0 0 "[ . 1 . 2]" 1
85 1 8 LYS QD 1 12 CYS QB 1.800 . 6.000 5.668 5.280 6.078 0.078 4 0 "[ . 1 . 2]" 1
86 1 8 LYS QE 1 10 HIS H 1.800 . 6.000 5.925 4.957 6.099 0.099 18 0 "[ . 1 . 2]" 1
87 1 8 LYS QE 1 11 ASN QD 1.800 . 6.000 4.148 3.177 4.728 . 0 0 "[ . 1 . 2]" 1
88 1 8 LYS H 1 27 VAL MG1 1.800 . 6.000 4.650 3.675 5.409 . 0 0 "[ . 1 . 2]" 1
89 1 8 LYS QG 1 12 CYS HA 1.800 . 6.000 2.791 2.376 3.811 . 0 0 "[ . 1 . 2]" 1
90 1 9 PRO HA 1 9 PRO QD 1.800 . 3.500 3.321 3.117 3.480 . 0 0 "[ . 1 . 2]" 1
91 1 9 PRO HA 1 9 PRO QG 1.800 . 3.500 3.368 2.790 3.519 0.019 18 0 "[ . 1 . 2]" 1
92 1 9 PRO HA 1 10 HIS H 1.800 . 6.000 3.539 3.365 3.592 . 0 0 "[ . 1 . 2]" 1
93 1 9 PRO HA 1 10 HIS HD1 1.800 . 6.000 5.250 4.372 6.057 0.057 3 0 "[ . 1 . 2]" 1
94 1 8 LYS H 1 9 PRO HA 1.800 . 6.000 5.255 4.634 5.711 . 0 0 "[ . 1 . 2]" 1
95 1 9 PRO HA 1 11 ASN H 1.800 . 6.000 4.587 4.089 4.903 . 0 0 "[ . 1 . 2]" 1
96 1 9 PRO HA 1 11 ASN QD 1.800 . 6.000 6.039 6.022 6.055 0.055 3 0 "[ . 1 . 2]" 1
97 1 9 PRO QG 1 10 HIS QB 1.800 . 6.000 4.042 3.393 5.605 . 0 0 "[ . 1 . 2]" 1
98 1 10 HIS HA 1 10 HIS HD1 1.800 . 6.000 3.312 2.241 4.122 . 0 0 "[ . 1 . 2]" 1
99 1 10 HIS H 1 10 HIS HA 1.800 . 2.900 2.959 2.822 2.987 0.087 19 0 "[ . 1 . 2]" 1
100 1 10 HIS H 1 10 HIS QB 1.800 . 3.500 2.617 2.417 2.883 . 0 0 "[ . 1 . 2]" 1
101 1 10 HIS QB 1 11 ASN QB 1.800 . 6.000 4.464 3.888 4.716 . 0 0 "[ . 1 . 2]" 1
102 1 10 HIS HD1 1 11 ASN QD 1.800 . 6.000 4.243 3.725 5.002 . 0 0 "[ . 1 . 2]" 1
103 1 10 HIS HD1 1 61 ILE QG 1.800 . 6.000 4.017 2.009 6.026 0.026 2 0 "[ . 1 . 2]" 1
104 1 9 PRO HA 1 10 HIS HA 1.800 . 6.000 4.575 4.502 4.766 . 0 0 "[ . 1 . 2]" 1
105 1 10 HIS HA 1 60 ARG H 1.800 . 6.000 5.836 4.383 6.039 0.039 7 0 "[ . 1 . 2]" 1
106 1 8 LYS HA 1 10 HIS H 1.800 . 6.000 4.647 3.535 6.024 0.024 1 0 "[ . 1 . 2]" 1
107 1 11 ASN H 1 11 ASN QD 1.800 . 6.000 2.680 1.999 3.194 . 0 0 "[ . 1 . 2]" 1
108 1 11 ASN H 1 11 ASN QB 1.800 . 3.500 2.607 2.492 2.979 . 0 0 "[ . 1 . 2]" 1
109 1 12 CYS H 1 12 CYS QB 1.800 . 3.500 2.686 2.550 3.121 . 0 0 "[ . 1 . 2]" 1
110 1 7 ALA H 1 12 CYS H 1.800 . 6.000 5.896 4.980 6.200 0.200 4 0 "[ . 1 . 2]" 1
111 1 11 ASN H 1 12 CYS H 1.800 . 6.000 4.499 4.183 4.591 . 0 0 "[ . 1 . 2]" 1
112 1 12 CYS HA 1 13 VAL H 1.800 . 3.500 2.552 2.399 2.640 . 0 0 "[ . 1 . 2]" 1
113 1 8 LYS QE 1 12 CYS QB 1.800 . 6.000 5.420 4.458 6.042 0.042 16 0 "[ . 1 . 2]" 1
114 1 12 CYS QB 1 13 VAL HA 1.800 . 6.000 4.349 4.232 4.640 . 0 0 "[ . 1 . 2]" 1
115 1 12 CYS HA 1 13 VAL HB 1.800 . 6.000 4.931 4.672 5.001 . 0 0 "[ . 1 . 2]" 1
116 1 13 VAL HB 1 13 VAL QG 1.800 . 3.500 1.897 1.880 1.916 . 0 0 "[ . 1 . 2]" 1
117 1 13 VAL H 1 13 VAL QG 1.800 . 3.500 2.433 2.175 2.621 . 0 0 "[ . 1 . 2]" 1
118 1 13 VAL HA 1 13 VAL QG 1.800 . 3.500 2.069 2.018 2.166 . 0 0 "[ . 1 . 2]" 1
119 1 7 ALA H 1 13 VAL H 1.800 . 6.000 3.541 2.479 4.032 . 0 0 "[ . 1 . 2]" 1
120 1 7 ALA H 1 13 VAL HA 1.800 . 6.000 4.900 4.339 5.302 . 0 0 "[ . 1 . 2]" 1
121 1 13 VAL HA 1 14 TYR QE 1.800 . 6.000 5.099 4.039 5.460 . 0 0 "[ . 1 . 2]" 1
122 1 13 VAL HB 1 14 TYR H 1.800 . 6.000 4.125 4.049 4.377 . 0 0 "[ . 1 . 2]" 1
123 1 13 VAL HB 1 15 GLU H 1.800 . 6.000 4.321 3.962 5.352 . 0 0 "[ . 1 . 2]" 1
124 1 13 VAL HB 1 47 GLY H 1.800 . 6.000 5.860 5.384 6.083 0.083 19 0 "[ . 1 . 2]" 1
125 1 8 LYS QG 1 13 VAL MG1 1.800 . 6.000 4.881 4.281 5.780 . 0 0 "[ . 1 . 2]" 1
126 1 13 VAL MG1 1 14 TYR QB 1.800 . 6.000 4.199 3.962 4.737 . 0 0 "[ . 1 . 2]" 1
127 1 13 VAL MG1 1 15 GLU QG 1.800 . 6.000 4.708 4.255 5.196 . 0 0 "[ . 1 . 2]" 1
128 1 13 VAL MG1 1 15 GLU HA 1.800 . 6.000 3.374 3.009 4.333 . 0 0 "[ . 1 . 2]" 1
129 1 13 VAL MG1 1 46 ASN H 1.800 . 6.000 5.468 3.815 6.139 0.139 7 0 "[ . 1 . 2]" 1
130 1 12 CYS HA 1 13 VAL MG2 1.800 . 6.000 3.587 3.294 5.504 . 0 0 "[ . 1 . 2]" 1
131 1 13 VAL MG2 1 15 GLU HA 1.800 . 6.000 5.721 3.972 6.045 0.045 11 0 "[ . 1 . 2]" 1
132 1 12 CYS QB 1 13 VAL MG2 1.800 . 6.000 4.144 4.001 5.048 . 0 0 "[ . 1 . 2]" 1
133 1 13 VAL MG2 1 14 TYR QB 1.800 . 6.000 5.683 4.228 5.978 . 0 0 "[ . 1 . 2]" 1
134 1 14 TYR H 1 14 TYR QB 1.800 . 3.500 2.495 2.368 2.940 . 0 0 "[ . 1 . 2]" 1
135 1 14 TYR QB 1 15 GLU H 1.800 . 6.000 3.320 2.249 3.881 . 0 0 "[ . 1 . 2]" 1
136 1 14 TYR QB 1 15 GLU HA 1.800 . 6.000 4.965 4.349 5.307 . 0 0 "[ . 1 . 2]" 1
137 1 13 VAL HA 1 14 TYR QD 1.800 . 6.000 3.675 3.548 4.096 . 0 0 "[ . 1 . 2]" 1
138 1 14 TYR HA 1 15 GLU HA 1.800 . 6.000 4.677 4.568 4.772 . 0 0 "[ . 1 . 2]" 1
139 1 15 GLU H 1 15 GLU QB 1.800 . 3.500 2.973 2.765 3.472 . 0 0 "[ . 1 . 2]" 1
140 1 14 TYR QB 1 15 GLU QB 1.800 . 6.000 3.735 3.166 3.889 . 0 0 "[ . 1 . 2]" 1
141 1 14 TYR H 1 15 GLU QB 1.800 . 6.000 4.974 4.714 5.574 . 0 0 "[ . 1 . 2]" 1
142 1 15 GLU QB 1 17 PHE HB3 1.800 . 6.000 5.415 4.269 6.156 0.156 4 0 "[ . 1 . 2]" 1
143 1 15 GLU QB 1 17 PHE HB2 1.800 . 6.000 5.728 4.996 6.088 0.088 1 0 "[ . 1 . 2]" 1
144 1 15 GLU QG 1 16 CYS QB 1.800 . 6.000 4.732 4.513 5.506 . 0 0 "[ . 1 . 2]" 1
145 1 15 GLU QG 1 17 PHE QB 1.800 . 6.000 4.340 3.768 4.741 . 0 0 "[ . 1 . 2]" 1
146 1 15 GLU QB 1 16 CYS QB 1.800 . 6.000 5.374 5.114 5.621 . 0 0 "[ . 1 . 2]" 1
147 1 16 CYS H 1 16 CYS QB 1.800 . 3.500 2.219 2.081 2.707 . 0 0 "[ . 1 . 2]" 1
148 1 15 GLU H 1 16 CYS H 1.800 . 3.500 3.461 3.019 3.575 0.075 11 0 "[ . 1 . 2]" 1
149 1 16 CYS QB 1 17 PHE H 1.800 . 6.000 3.665 3.142 4.027 . 0 0 "[ . 1 . 2]" 1
150 1 14 TYR H 1 16 CYS QB 1.800 . 6.000 6.085 6.003 6.158 0.158 10 0 "[ . 1 . 2]" 1
151 1 16 CYS QB 1 23 TYR QB 1.800 . 6.000 4.881 2.801 6.049 0.049 11 0 "[ . 1 . 2]" 1
152 1 16 CYS QB 1 38 CYS H 1.800 . 6.000 5.934 4.981 6.205 0.205 13 0 "[ . 1 . 2]" 1
153 1 16 CYS HA 1 24 CYS QB 1.800 . 6.000 4.689 3.489 5.904 . 0 0 "[ . 1 . 2]" 1
154 1 14 TYR QE 1 16 CYS HA 1.800 . 6.000 5.020 3.961 6.038 0.038 2 0 "[ . 1 . 2]" 1
155 1 17 PHE H 1 17 PHE QB 1.800 . 3.500 2.387 2.097 2.837 . 0 0 "[ . 1 . 2]" 1
156 1 17 PHE HA 1 18 ASP H 1.800 . 3.500 2.815 2.238 3.568 0.068 9 0 "[ . 1 . 2]" 1
157 1 17 PHE QE 1 24 CYS H 1.800 . 6.000 5.527 4.542 6.034 0.034 10 0 "[ . 1 . 2]" 1
158 1 17 PHE HZ 1 18 ASP HA 1.800 . 6.000 5.961 5.681 6.101 0.101 15 0 "[ . 1 . 2]" 1
159 1 18 ASP H 1 18 ASP HA 1.800 . 2.900 2.852 2.750 2.963 0.063 20 0 "[ . 1 . 2]" 1
160 1 18 ASP H 1 18 ASP QB 1.800 . 2.900 2.461 2.267 2.796 . 0 0 "[ . 1 . 2]" 1
161 1 18 ASP H 1 23 TYR QB 1.800 . 6.000 5.338 3.363 6.118 0.118 18 0 "[ . 1 . 2]" 1
162 1 17 PHE HD2 1 18 ASP HA 1.800 . 6.000 4.690 4.325 5.632 . 0 0 "[ . 1 . 2]" 1
163 1 17 PHE HD1 1 18 ASP QB 1.800 . 6.000 4.613 3.364 5.478 . 0 0 "[ . 1 . 2]" 1
164 1 17 PHE HZ 1 18 ASP QB 1.800 . 6.000 3.684 2.731 4.876 . 0 0 "[ . 1 . 2]" 1
165 1 18 ASP QB 1 19 ALA MB 1.800 . 6.000 4.722 4.282 5.139 . 0 0 "[ . 1 . 2]" 1
166 1 18 ASP HA 1 19 ALA H 1.800 . 3.500 2.227 2.172 2.406 . 0 0 "[ . 1 . 2]" 1
167 1 19 ALA H 1 19 ALA MB 1.800 . 3.500 2.299 2.067 2.734 . 0 0 "[ . 1 . 2]" 1
168 1 19 ALA HA 1 20 PHE H 1.800 . 3.500 3.121 2.303 3.540 0.040 15 0 "[ . 1 . 2]" 1
169 1 19 ALA HA 1 38 CYS QB 1.800 . 6.000 4.770 3.477 6.047 0.047 19 0 "[ . 1 . 2]" 1
170 1 17 PHE H 1 19 ALA MB 1.800 . 6.000 5.741 4.967 6.097 0.097 17 0 "[ . 1 . 2]" 1
171 1 18 ASP H 1 19 ALA MB 1.800 . 6.000 5.383 4.517 5.920 . 0 0 "[ . 1 . 2]" 1
172 1 19 ALA MB 1 20 PHE QD 1.800 . 6.000 5.416 4.073 5.872 . 0 0 "[ . 1 . 2]" 1
173 1 19 ALA MB 1 21 SER QB 1.800 . 6.000 5.422 4.285 6.063 0.063 18 0 "[ . 1 . 2]" 1
174 1 19 ALA MB 1 25 ASN QB 1.800 . 6.000 4.588 3.741 5.836 . 0 0 "[ . 1 . 2]" 1
175 1 19 ALA MB 1 25 ASN QD 1.800 . 6.000 3.640 1.792 5.407 0.008 4 0 "[ . 1 . 2]" 1
176 1 19 ALA MB 1 26 GLY H 1.800 . 6.000 5.520 4.500 6.072 0.072 17 0 "[ . 1 . 2]" 1
177 1 19 ALA H 1 38 CYS QB 1.800 . 6.000 4.120 1.970 6.010 0.010 12 0 "[ . 1 . 2]" 1
178 1 19 ALA H 1 23 TYR H 1.800 . 6.000 5.622 4.899 6.019 0.019 1 0 "[ . 1 . 2]" 1
179 1 20 PHE H 1 20 PHE HA 1.800 . 2.900 2.793 2.354 2.844 . 0 0 "[ . 1 . 2]" 1
180 1 20 PHE H 1 20 PHE QB 1.800 . 3.500 2.321 2.266 2.896 . 0 0 "[ . 1 . 2]" 1
181 1 20 PHE QB 1 21 SER QB 1.800 . 6.000 3.966 3.175 4.617 . 0 0 "[ . 1 . 2]" 1
182 1 21 SER H 1 21 SER HA 1.800 . 2.900 2.876 2.790 2.953 0.053 16 0 "[ . 1 . 2]" 1
183 1 21 SER H 1 21 SER QB 1.800 . 2.900 2.611 2.263 3.030 0.130 13 0 "[ . 1 . 2]" 1
184 1 21 SER HA 1 22 SER H 1.800 . 3.500 3.203 2.354 3.576 0.076 7 0 "[ . 1 . 2]" 1
185 1 20 PHE H 1 21 SER H 1.800 . 2.900 2.821 2.727 2.891 . 0 0 "[ . 1 . 2]" 1
186 1 21 SER HA 1 22 SER HA 1.800 . 6.000 4.942 4.385 5.234 . 0 0 "[ . 1 . 2]" 1
187 1 22 SER H 1 22 SER HA 1.800 . 2.900 2.589 2.339 2.944 0.044 19 0 "[ . 1 . 2]" 1
188 1 22 SER H 1 24 CYS H 1.800 . 6.000 4.418 3.054 5.346 . 0 0 "[ . 1 . 2]" 1
189 1 22 SER HA 1 23 TYR H 1.800 . 6.000 3.116 2.703 3.593 . 0 0 "[ . 1 . 2]" 1
190 1 22 SER HA 1 24 CYS H 1.800 . 6.000 4.341 3.806 5.155 . 0 0 "[ . 1 . 2]" 1
191 1 22 SER HA 1 25 ASN H 1.800 . 6.000 3.483 3.108 4.291 . 0 0 "[ . 1 . 2]" 1
192 1 22 SER HA 1 26 GLY H 1.800 . 6.000 3.569 3.167 3.984 . 0 0 "[ . 1 . 2]" 1
193 1 22 SER HA 1 25 ASN QB 1.800 . 6.000 2.613 2.262 3.201 . 0 0 "[ . 1 . 2]" 1
194 1 22 SER QB 1 23 TYR H 1.800 . 6.000 3.548 2.234 4.083 . 0 0 "[ . 1 . 2]" 1
195 1 22 SER QB 1 23 TYR HA 1.800 . 6.000 4.406 3.697 4.964 . 0 0 "[ . 1 . 2]" 1
196 1 19 ALA HA 1 22 SER QB 1.800 . 6.000 5.410 4.781 5.844 . 0 0 "[ . 1 . 2]" 1
197 1 22 SER QB 1 25 ASN H 1.800 . 6.000 4.475 3.807 5.301 . 0 0 "[ . 1 . 2]" 1
198 1 23 TYR H 1 23 TYR HB3 1.800 . 3.500 2.588 2.517 2.670 . 0 0 "[ . 1 . 2]" 1
199 1 23 TYR H 1 23 TYR HB2 1.800 . 3.500 2.533 2.485 2.590 . 0 0 "[ . 1 . 2]" 1
200 1 23 TYR H 1 24 CYS H 1.800 . 3.500 2.918 2.799 3.304 . 0 0 "[ . 1 . 2]" 1
201 1 23 TYR H 1 25 ASN H 1.800 . 6.000 4.219 4.018 4.513 . 0 0 "[ . 1 . 2]" 1
202 1 17 PHE QD 1 23 TYR HA 1.800 . 6.000 5.566 4.641 6.073 0.073 17 0 "[ . 1 . 2]" 1
203 1 23 TYR HA 1 24 CYS H 1.800 . 3.500 3.575 3.551 3.585 0.085 13 0 "[ . 1 . 2]" 1
204 1 23 TYR HA 1 24 CYS HA 1.800 . 6.000 4.736 4.702 4.770 . 0 0 "[ . 1 . 2]" 1
205 1 23 TYR HA 1 25 ASN H 1.800 . 6.000 4.902 4.563 5.102 . 0 0 "[ . 1 . 2]" 1
206 1 23 TYR HA 1 26 GLY H 1.800 . 6.000 3.732 3.557 3.947 . 0 0 "[ . 1 . 2]" 1
207 1 23 TYR HA 1 26 GLY QA 1.800 . 6.000 3.795 3.539 4.033 . 0 0 "[ . 1 . 2]" 1
208 1 23 TYR QB 1 24 CYS H 1.800 . 2.900 2.210 1.799 2.419 0.001 9 0 "[ . 1 . 2]" 1
209 1 19 ALA HA 1 23 TYR QB 1.800 . 6.000 3.698 2.176 5.403 . 0 0 "[ . 1 . 2]" 1
210 1 23 TYR QD 1 25 ASN QD 1.800 . 6.000 6.042 5.932 6.094 0.094 10 0 "[ . 1 . 2]" 1
211 1 23 TYR QD 1 27 VAL H 1.800 . 6.000 5.097 4.873 5.239 . 0 0 "[ . 1 . 2]" 1
212 1 23 TYR QE 1 27 VAL H 1.800 . 6.000 5.840 5.469 6.046 0.046 3 0 "[ . 1 . 2]" 1
213 1 16 CYS QB 1 23 TYR QE 1.800 . 6.000 4.256 3.089 5.822 . 0 0 "[ . 1 . 2]" 1
214 1 24 CYS H 1 24 CYS QB 1.800 . 3.500 2.257 2.088 2.284 . 0 0 "[ . 1 . 2]" 1
215 1 24 CYS H 1 25 ASN H 1.800 . 3.500 2.699 2.607 2.823 . 0 0 "[ . 1 . 2]" 1
216 1 24 CYS H 1 26 GLY H 1.800 . 6.000 3.917 3.731 4.106 . 0 0 "[ . 1 . 2]" 1
217 1 24 CYS HA 1 25 ASN H 1.800 . 3.500 3.563 3.542 3.571 0.071 16 0 "[ . 1 . 2]" 1
218 1 24 CYS HA 1 26 GLY H 1.800 . 6.000 4.274 4.202 4.371 . 0 0 "[ . 1 . 2]" 1
219 1 24 CYS HA 1 27 VAL H 1.800 . 6.000 3.417 3.269 3.662 . 0 0 "[ . 1 . 2]" 1
220 1 24 CYS HA 1 28 CYS H 1.800 . 6.000 4.404 3.790 4.608 . 0 0 "[ . 1 . 2]" 1
221 1 24 CYS HA 1 27 VAL HB 1.800 . 6.000 3.079 2.794 3.376 . 0 0 "[ . 1 . 2]" 1
222 1 23 TYR QE 1 24 CYS QB 1.800 . 6.000 4.896 4.333 5.316 . 0 0 "[ . 1 . 2]" 1
223 1 24 CYS QB 1 25 ASN HD21 1.800 . 3.500 2.425 2.235 2.657 . 0 0 "[ . 1 . 2]" 1
224 1 24 CYS QB 1 25 ASN HD22 1.800 . 3.500 3.146 2.985 3.363 . 0 0 "[ . 1 . 2]" 1
225 1 24 CYS QB 1 25 ASN H 1.800 . 2.900 2.341 2.151 2.544 . 0 0 "[ . 1 . 2]" 1
226 1 24 CYS QB 1 38 CYS H 1.800 . 6.000 3.811 3.405 4.498 . 0 0 "[ . 1 . 2]" 1
227 1 24 CYS QB 1 38 CYS HA 1.800 . 6.000 3.835 3.266 4.312 . 0 0 "[ . 1 . 2]" 1
228 1 25 ASN H 1 25 ASN HA 1.800 . 2.900 2.840 2.830 2.847 . 0 0 "[ . 1 . 2]" 1
229 1 25 ASN H 1 25 ASN QB 1.800 . 3.500 2.513 2.477 2.547 . 0 0 "[ . 1 . 2]" 1
230 1 25 ASN H 1 27 VAL H 1.800 . 6.000 4.275 4.162 4.380 . 0 0 "[ . 1 . 2]" 1
231 1 25 ASN HA 1 26 GLY H 1.800 . 3.500 3.534 3.522 3.544 0.044 5 0 "[ . 1 . 2]" 1
232 1 25 ASN HA 1 28 CYS QB 1.800 . 6.000 2.660 2.380 2.969 . 0 0 "[ . 1 . 2]" 1
233 1 25 ASN QB 1 26 GLY H 1.800 . 6.000 2.607 2.552 2.652 . 0 0 "[ . 1 . 2]" 1
234 1 25 ASN H 1 26 GLY H 1.800 . 2.900 2.689 2.655 2.744 . 0 0 "[ . 1 . 2]" 1
235 1 26 GLY H 1 27 VAL H 1.800 . 2.900 2.731 2.676 2.795 . 0 0 "[ . 1 . 2]" 1
236 1 26 GLY QA 1 27 VAL HA 1.800 . 6.000 4.067 4.050 4.078 . 0 0 "[ . 1 . 2]" 1
237 1 26 GLY QA 1 28 CYS H 1.800 . 6.000 4.146 4.040 4.234 . 0 0 "[ . 1 . 2]" 1
238 1 26 GLY QA 1 29 THR H 1.800 . 6.000 3.253 3.139 3.499 . 0 0 "[ . 1 . 2]" 1
239 1 26 GLY QA 1 30 LYS H 1.800 . 6.000 4.303 3.837 4.616 . 0 0 "[ . 1 . 2]" 1
240 1 26 GLY QA 1 29 THR HB 1.800 . 6.000 2.720 2.339 3.166 . 0 0 "[ . 1 . 2]" 1
241 1 26 GLY QA 1 27 VAL HB 1.800 . 6.000 4.883 4.844 4.924 . 0 0 "[ . 1 . 2]" 1
242 1 26 GLY QA 1 30 LYS QD 1.800 . 6.000 4.008 3.428 5.498 . 0 0 "[ . 1 . 2]" 1
243 1 27 VAL H 1 27 VAL HA 1.800 . 2.900 2.860 2.845 2.880 . 0 0 "[ . 1 . 2]" 1
244 1 27 VAL H 1 27 VAL HB 1.800 . 2.900 2.457 2.441 2.515 . 0 0 "[ . 1 . 2]" 1
245 1 27 VAL HA 1 27 VAL MG1 1.800 . 3.500 2.358 2.306 2.404 . 0 0 "[ . 1 . 2]" 1
246 1 27 VAL HA 1 27 VAL MG2 1.800 . 3.500 2.312 2.229 2.383 . 0 0 "[ . 1 . 2]" 1
247 1 27 VAL H 1 27 VAL MG1 1.800 . 6.000 3.764 3.761 3.776 . 0 0 "[ . 1 . 2]" 1
248 1 27 VAL H 1 27 VAL MG2 1.800 . 6.000 2.267 2.094 2.403 . 0 0 "[ . 1 . 2]" 1
249 1 27 VAL HA 1 28 CYS H 1.800 . 3.500 3.558 3.547 3.570 0.070 20 0 "[ . 1 . 2]" 1
250 1 27 VAL HB 1 28 CYS H 1.800 . 6.000 2.517 2.442 2.602 . 0 0 "[ . 1 . 2]" 1
251 1 27 VAL HA 1 28 CYS HA 1.800 . 6.000 4.782 4.730 4.824 . 0 0 "[ . 1 . 2]" 1
252 1 27 VAL HA 1 30 LYS H 1.800 . 6.000 3.696 3.499 3.884 . 0 0 "[ . 1 . 2]" 1
253 1 27 VAL HA 1 30 LYS QB 1.800 . 6.000 3.600 2.907 4.123 . 0 0 "[ . 1 . 2]" 1
254 1 25 ASN QD 1 27 VAL HB 1.800 . 6.000 5.665 5.460 5.935 . 0 0 "[ . 1 . 2]" 1
255 1 24 CYS QB 1 27 VAL MG1 1.800 . 6.000 5.713 5.418 6.019 0.019 16 0 "[ . 1 . 2]" 1
256 1 24 CYS QB 1 27 VAL MG2 1.800 . 6.000 4.660 4.245 4.974 . 0 0 "[ . 1 . 2]" 1
257 1 27 VAL MG1 1 28 CYS QB 1.800 . 6.000 4.392 4.011 4.677 . 0 0 "[ . 1 . 2]" 1
258 1 27 VAL MG2 1 28 CYS QB 1.800 . 6.000 5.372 5.100 5.530 . 0 0 "[ . 1 . 2]" 1
259 1 26 GLY QA 1 27 VAL MG2 1.800 . 6.000 3.864 3.692 3.974 . 0 0 "[ . 1 . 2]" 1
260 1 26 GLY H 1 27 VAL QG 1.800 . 6.000 4.249 4.173 4.365 . 0 0 "[ . 1 . 2]" 1
261 1 26 GLY H 1 27 VAL MG2 1.800 . 6.000 4.352 4.257 4.485 . 0 0 "[ . 1 . 2]" 1
262 1 23 TYR QE 1 27 VAL MG2 1.800 . 6.000 3.372 2.861 3.781 . 0 0 "[ . 1 . 2]" 1
263 1 28 CYS H 1 28 CYS HA 1.800 . 2.900 2.876 2.850 2.899 . 0 0 "[ . 1 . 2]" 1
264 1 28 CYS H 1 28 CYS QB 1.800 . 3.500 2.299 2.165 2.396 . 0 0 "[ . 1 . 2]" 1
265 1 27 VAL H 1 28 CYS H 1.800 . 3.500 2.706 2.633 2.793 . 0 0 "[ . 1 . 2]" 1
266 1 28 CYS H 1 30 LYS H 1.800 . 6.000 4.401 4.231 4.497 . 0 0 "[ . 1 . 2]" 1
267 1 28 CYS HA 1 29 THR H 1.800 . 3.500 3.511 3.462 3.555 0.055 17 0 "[ . 1 . 2]" 1
268 1 28 CYS HA 1 30 LYS H 1.800 . 6.000 4.277 3.981 4.631 . 0 0 "[ . 1 . 2]" 1
269 1 28 CYS QB 1 35 SER H 1.800 . 6.000 4.720 3.919 5.877 . 0 0 "[ . 1 . 2]" 1
270 1 26 GLY H 1 28 CYS QB 1.800 . 6.000 5.060 4.758 5.306 . 0 0 "[ . 1 . 2]" 1
271 1 27 VAL HA 1 28 CYS QB 1.800 . 6.000 5.368 5.218 5.494 . 0 0 "[ . 1 . 2]" 1
272 1 27 VAL H 1 28 CYS QB 1.800 . 6.000 4.569 4.397 4.735 . 0 0 "[ . 1 . 2]" 1
273 1 28 CYS QB 1 35 SER HA 1.800 . 6.000 3.714 2.972 4.536 . 0 0 "[ . 1 . 2]" 1
274 1 29 THR H 1 29 THR HG1 1.800 . 3.500 2.787 1.841 3.202 . 0 0 "[ . 1 . 2]" 1
275 1 29 THR HA 1 30 LYS H 1.800 . 3.500 3.552 3.521 3.566 0.066 4 0 "[ . 1 . 2]" 1
276 1 29 THR HB 1 30 LYS HA 1.800 . 6.000 4.205 4.183 4.225 . 0 0 "[ . 1 . 2]" 1
277 1 30 LYS H 1 30 LYS HA 1.800 . 2.900 2.842 2.792 2.880 . 0 0 "[ . 1 . 2]" 1
278 1 30 LYS H 1 30 LYS QB 1.800 . 2.900 2.384 2.220 2.578 . 0 0 "[ . 1 . 2]" 1
279 1 30 LYS QB 1 30 LYS QE 1.800 . 3.500 3.400 2.107 3.616 0.116 16 0 "[ . 1 . 2]" 1
280 1 30 LYS H 1 30 LYS QG 1.800 . 3.500 2.754 1.891 3.512 0.012 16 0 "[ . 1 . 2]" 1
281 1 30 LYS H 1 30 LYS QD 1.800 . 6.000 2.397 1.828 3.144 . 0 0 "[ . 1 . 2]" 1
282 1 30 LYS H 1 30 LYS QE 1.800 . 6.000 4.142 3.707 4.686 . 0 0 "[ . 1 . 2]" 1
283 1 30 LYS HA 1 31 ASN H 1.800 . 3.500 3.533 3.502 3.552 0.052 19 0 "[ . 1 . 2]" 1
284 1 26 GLY QA 1 30 LYS QB 1.800 . 6.000 5.619 4.969 6.015 0.015 19 0 "[ . 1 . 2]" 1
285 1 29 THR H 1 30 LYS HB2 1.800 . 6.000 4.882 4.667 5.099 . 0 0 "[ . 1 . 2]" 1
286 1 29 THR HB 1 30 LYS QD 1.800 . 3.500 3.171 2.380 3.618 0.118 20 0 "[ . 1 . 2]" 1
287 1 30 LYS QD 1 31 ASN H 1.800 . 6.000 4.239 3.896 4.705 . 0 0 "[ . 1 . 2]" 1
288 1 29 THR HB 1 30 LYS QG 1.800 . 6.000 3.882 3.083 5.057 . 0 0 "[ . 1 . 2]" 1
289 1 30 LYS H 1 33 ALA H 1.800 . 6.000 5.761 5.393 6.065 0.065 6 0 "[ . 1 . 2]" 1
290 1 30 LYS QB 1 32 GLY H 1.800 . 6.000 4.542 4.437 4.684 . 0 0 "[ . 1 . 2]" 1
291 1 31 ASN H 1 31 ASN QB 1.800 . 3.500 2.333 2.231 2.497 . 0 0 "[ . 1 . 2]" 1
292 1 31 ASN H 1 31 ASN QD 1.800 . 6.000 4.175 3.230 4.723 . 0 0 "[ . 1 . 2]" 1
293 1 31 ASN QD 1 33 ALA H 1.800 . 6.000 4.200 2.816 5.796 . 0 0 "[ . 1 . 2]" 1
294 1 32 GLY QA 1 33 ALA H 1.800 . 2.900 2.909 2.725 2.936 0.036 3 0 "[ . 1 . 2]" 1
295 1 32 GLY QA 1 33 ALA MB 1.800 . 6.000 3.995 3.399 4.299 . 0 0 "[ . 1 . 2]" 1
296 1 31 ASN H 1 32 GLY H 1.800 . 2.900 2.673 2.574 2.787 . 0 0 "[ . 1 . 2]" 1
297 1 29 THR MG 1 32 GLY QA 1.800 . 6.000 4.294 3.663 4.919 . 0 0 "[ . 1 . 2]" 1
298 1 33 ALA H 1 33 ALA HA 1.800 . 2.900 2.862 2.760 2.886 . 0 0 "[ . 1 . 2]" 1
299 1 33 ALA H 1 33 ALA MB 1.800 . 2.900 2.417 2.048 2.974 0.074 10 0 "[ . 1 . 2]" 1
300 1 32 GLY H 1 33 ALA H 1.800 . 2.900 2.221 2.165 2.284 . 0 0 "[ . 1 . 2]" 1
301 1 32 GLY H 1 33 ALA HA 1.800 . 6.000 4.767 3.997 4.961 . 0 0 "[ . 1 . 2]" 1
302 1 33 ALA HA 1 34 LYS H 1.800 . 6.000 2.787 2.288 3.491 . 0 0 "[ . 1 . 2]" 1
303 1 33 ALA HA 1 34 LYS HA 1.800 . 6.000 4.596 4.371 4.976 . 0 0 "[ . 1 . 2]" 1
304 1 33 ALA HA 1 35 SER H 1.800 . 6.000 5.264 4.492 6.165 0.165 15 0 "[ . 1 . 2]" 1
305 1 32 GLY H 1 33 ALA MB 1.800 . 6.000 4.118 3.773 4.568 . 0 0 "[ . 1 . 2]" 1
306 1 33 ALA MB 1 34 LYS H 1.800 . 2.900 2.818 2.260 3.069 0.169 10 0 "[ . 1 . 2]" 1
307 1 33 ALA MB 1 35 SER HA 1.800 . 6.000 5.095 4.257 6.186 0.186 6 0 "[ . 1 . 2]" 1
308 1 34 LYS H 1 34 LYS QB 1.800 . 3.500 2.309 2.205 2.822 . 0 0 "[ . 1 . 2]" 1
309 1 34 LYS QB 1 34 LYS QD 1.800 . 3.500 2.175 2.076 2.330 . 0 0 "[ . 1 . 2]" 1
310 1 34 LYS H 1 34 LYS HD3 1.800 . 6.000 5.534 4.394 5.976 . 0 0 "[ . 1 . 2]" 1
311 1 34 LYS H 1 34 LYS HD2 1.800 . 6.000 4.748 4.185 4.957 . 0 0 "[ . 1 . 2]" 1
312 1 34 LYS H 1 34 LYS QE 1.800 . 6.000 4.673 3.301 5.997 . 0 0 "[ . 1 . 2]" 1
313 1 34 LYS QE 1 34 LYS QG 1.800 . 2.900 2.244 2.098 2.761 . 0 0 "[ . 1 . 2]" 1
314 1 34 LYS H 1 34 LYS HG3 1.800 . 6.000 4.138 1.923 4.535 . 0 0 "[ . 1 . 2]" 1
315 1 34 LYS H 1 34 LYS HG2 1.800 . 6.000 4.170 2.131 4.543 . 0 0 "[ . 1 . 2]" 1
316 1 34 LYS QD 1 35 SER H 1.800 . 6.000 3.812 2.655 4.866 . 0 0 "[ . 1 . 2]" 1
317 1 34 LYS QB 1 35 SER H 1.800 . 6.000 2.686 1.775 3.744 0.025 19 0 "[ . 1 . 2]" 1
318 1 34 LYS QD 1 51 ILE H 1.800 . 6.000 5.237 4.171 5.989 . 0 0 "[ . 1 . 2]" 1
319 1 34 LYS QE 1 51 ILE HA 1.800 . 6.000 5.146 3.719 6.047 0.047 11 0 "[ . 1 . 2]" 1
320 1 34 LYS QE 1 52 ALA HA 1.800 . 6.000 4.136 2.037 6.036 0.036 10 0 "[ . 1 . 2]" 1
321 1 33 ALA MB 1 34 LYS QD 1.800 . 6.000 5.793 5.081 6.072 0.072 15 0 "[ . 1 . 2]" 1
322 1 34 LYS QD 1 36 GLY H 1.800 . 6.000 6.109 6.028 6.264 0.264 10 0 "[ . 1 . 2]" 1
323 1 35 SER H 1 35 SER HA 1.800 . 2.900 2.973 2.963 2.990 0.090 1 0 "[ . 1 . 2]" 1
324 1 35 SER H 1 35 SER QB 1.800 . 3.500 2.835 2.548 3.089 . 0 0 "[ . 1 . 2]" 1
325 1 35 SER H 1 51 ILE H 1.800 . 6.000 3.479 2.838 4.255 . 0 0 "[ . 1 . 2]" 1
326 1 35 SER HA 1 36 GLY H 1.800 . 6.000 2.350 2.193 2.469 . 0 0 "[ . 1 . 2]" 1
327 1 29 THR H 1 35 SER HA 1.800 . 6.000 5.834 5.071 6.062 0.062 17 0 "[ . 1 . 2]" 1
328 1 35 SER QB 1 37 TYR QD 1.800 . 6.000 4.867 3.671 6.056 0.056 10 0 "[ . 1 . 2]" 1
329 1 25 ASN QD 1 35 SER QB 1.800 . 6.000 5.389 3.501 6.027 0.027 16 0 "[ . 1 . 2]" 1
330 1 36 GLY H 1 36 GLY HA3 1.800 . 2.900 2.643 2.595 2.659 . 0 0 "[ . 1 . 2]" 1
331 1 36 GLY H 1 36 GLY HA2 1.800 . 2.900 2.963 2.957 2.979 0.079 10 0 "[ . 1 . 2]" 1
332 1 36 GLY QA 1 51 ILE H 1.800 . 6.000 2.853 2.225 3.819 . 0 0 "[ . 1 . 2]" 1
333 1 36 GLY QA 1 37 TYR H 1.800 . 2.900 2.240 2.160 2.287 . 0 0 "[ . 1 . 2]" 1
334 1 36 GLY HA3 1 50 CYS HA 1.800 . 6.000 2.704 2.239 3.929 . 0 0 "[ . 1 . 2]" 1
335 1 36 GLY HA2 1 50 CYS HA 1.800 . 6.000 2.347 2.219 3.806 . 0 0 "[ . 1 . 2]" 1
336 1 36 GLY QA 1 37 TYR HA 1.800 . 6.000 3.996 3.972 4.028 . 0 0 "[ . 1 . 2]" 1
337 1 37 TYR HA 1 37 TYR QD 1.800 . 3.500 2.748 2.264 3.689 0.189 1 0 "[ . 1 . 2]" 1
338 1 37 TYR H 1 37 TYR QB 1.800 . 3.500 2.743 2.628 3.071 . 0 0 "[ . 1 . 2]" 1
339 1 37 TYR H 1 38 CYS H 1.800 . 6.000 4.453 4.395 4.489 . 0 0 "[ . 1 . 2]" 1
340 1 37 TYR H 1 38 CYS QB 1.800 . 6.000 5.519 5.049 5.846 . 0 0 "[ . 1 . 2]" 1
341 1 37 TYR H 1 49 TRP HA 1.800 . 6.000 4.516 4.012 5.128 . 0 0 "[ . 1 . 2]" 1
342 1 37 TYR H 1 51 ILE QG 1.800 . 6.000 4.689 3.401 5.610 . 0 0 "[ . 1 . 2]" 1
343 1 37 TYR HA 1 38 CYS H 1.800 . 6.000 2.336 2.216 2.513 . 0 0 "[ . 1 . 2]" 1
344 1 37 TYR HA 1 39 GLN H 1.800 . 6.000 6.002 5.804 6.103 0.103 9 0 "[ . 1 . 2]" 1
345 1 25 ASN QD 1 37 TYR QD 1.800 . 6.000 3.934 2.592 4.678 . 0 0 "[ . 1 . 2]" 1
346 1 37 TYR QD 1 39 GLN QE 1.800 . 6.000 5.661 4.076 6.100 0.100 13 0 "[ . 1 . 2]" 1
347 1 37 TYR QD 1 49 TRP HA 1.800 . 6.000 5.884 5.013 6.091 0.091 10 0 "[ . 1 . 2]" 1
348 1 37 TYR QD 1 49 TRP HD1 1.800 . 6.000 3.080 2.255 4.285 . 0 0 "[ . 1 . 2]" 1
349 1 37 TYR QE 1 49 TRP HE1 1.800 . 6.000 5.377 3.240 6.052 0.052 3 0 "[ . 1 . 2]" 1
350 1 37 TYR QE 1 49 TRP HD1 1.800 . 6.000 4.403 2.747 4.740 . 0 0 "[ . 1 . 2]" 1
351 1 37 TYR QE 1 51 ILE MG 1.800 . 6.000 4.588 3.769 5.998 . 0 0 "[ . 1 . 2]" 1
352 1 38 CYS HA 1 39 GLN H 1.800 . 2.900 2.171 2.151 2.198 . 0 0 "[ . 1 . 2]" 1
353 1 38 CYS HA 1 49 TRP H 1.800 . 6.000 3.155 2.330 3.956 . 0 0 "[ . 1 . 2]" 1
354 1 38 CYS HA 1 48 CYS HA 1.800 . 6.000 2.276 2.223 2.421 . 0 0 "[ . 1 . 2]" 1
355 1 37 TYR HA 1 38 CYS QB 1.800 . 6.000 4.116 4.000 4.180 . 0 0 "[ . 1 . 2]" 1
356 1 38 CYS QB 1 39 GLN HA 1.800 . 6.000 4.541 4.001 4.833 . 0 0 "[ . 1 . 2]" 1
357 1 38 CYS QB 1 48 CYS H 1.800 . 6.000 6.041 5.208 6.216 0.216 13 0 "[ . 1 . 2]" 1
358 1 39 GLN QB 1 39 GLN QE 1.800 . 3.500 2.063 1.729 3.400 0.071 8 0 "[ . 1 . 2]" 1
359 1 39 GLN H 1 39 GLN QB 1.800 . 3.500 2.604 2.431 3.106 . 0 0 "[ . 1 . 2]" 1
360 1 39 GLN HA 1 39 GLN QE 1.800 . 6.000 4.151 3.129 4.911 . 0 0 "[ . 1 . 2]" 1
361 1 39 GLN H 1 39 GLN QG 1.800 . 6.000 3.022 2.651 4.281 . 0 0 "[ . 1 . 2]" 1
362 1 39 GLN H 1 47 GLY H 1.800 . 6.000 3.570 2.909 4.071 . 0 0 "[ . 1 . 2]" 1
363 1 39 GLN H 1 48 CYS HA 1.800 . 6.000 3.115 2.411 3.596 . 0 0 "[ . 1 . 2]" 1
364 1 39 GLN HA 1 40 ILE H 1.800 . 3.500 2.659 2.367 3.140 . 0 0 "[ . 1 . 2]" 1
365 1 37 TYR QB 1 39 GLN QB 1.800 . 6.000 4.843 4.238 5.296 . 0 0 "[ . 1 . 2]" 1
366 1 39 GLN QB 1 49 TRP HH2 1.800 . 6.000 4.916 2.433 6.049 0.049 18 0 "[ . 1 . 2]" 1
367 1 39 GLN QB 1 49 TRP HZ3 1.800 . 6.000 3.924 2.158 5.222 . 0 0 "[ . 1 . 2]" 1
368 1 39 GLN QG 1 40 ILE H 1.800 . 6.000 3.566 1.739 4.157 0.061 1 0 "[ . 1 . 2]" 1
369 1 38 CYS QB 1 39 GLN QG 1.800 . 6.000 4.922 4.186 6.054 0.054 20 0 "[ . 1 . 2]" 1
370 1 39 GLN QG 1 40 ILE HA 1.800 . 6.000 5.554 4.114 5.997 . 0 0 "[ . 1 . 2]" 1
371 1 39 GLN QG 1 46 ASN QD 1.800 . 6.000 5.777 4.961 6.076 0.076 4 0 "[ . 1 . 2]" 1
372 1 39 GLN QE 1 40 ILE H 1.800 . 6.000 4.274 3.028 5.197 . 0 0 "[ . 1 . 2]" 1
373 1 39 GLN QE 1 49 TRP HZ2 1.800 . 6.000 4.003 1.987 5.262 . 0 0 "[ . 1 . 2]" 1
374 1 39 GLN QE 1 49 TRP HZ3 1.800 . 6.000 3.458 2.300 5.874 . 0 0 "[ . 1 . 2]" 1
375 1 39 GLN QE 1 49 TRP HD1 1.800 . 6.000 5.735 4.696 6.111 0.111 7 0 "[ . 1 . 2]" 1
376 1 39 GLN QE 1 40 ILE MG 1.800 . 6.000 5.792 5.027 6.190 0.190 14 0 "[ . 1 . 2]" 1
377 1 40 ILE H 1 40 ILE MD 1.800 . 6.000 3.649 3.587 3.732 . 0 0 "[ . 1 . 2]" 1
378 1 40 ILE H 1 40 ILE MG 1.800 . 6.000 2.649 1.926 3.824 . 0 0 "[ . 1 . 2]" 1
379 1 40 ILE QG 1 40 ILE MG 1.800 . 3.500 2.255 2.201 2.327 . 0 0 "[ . 1 . 2]" 1
380 1 40 ILE H 1 40 ILE QG 1.800 . 6.000 2.067 1.881 2.687 . 0 0 "[ . 1 . 2]" 1
381 1 40 ILE MD 1 40 ILE MG 1.800 . 3.500 1.977 1.794 2.089 0.006 19 0 "[ . 1 . 2]" 1
382 1 40 ILE HA 1 40 ILE MG 1.800 . 3.500 2.342 2.215 2.663 . 0 0 "[ . 1 . 2]" 1
383 1 40 ILE HA 1 47 GLY H 1.800 . 6.000 3.067 2.658 3.452 . 0 0 "[ . 1 . 2]" 1
384 1 40 ILE HA 1 46 ASN HA 1.800 . 6.000 2.425 2.226 3.003 . 0 0 "[ . 1 . 2]" 1
385 1 40 ILE HB 1 41 LEU HA 1.800 . 6.000 5.038 4.649 5.469 . 0 0 "[ . 1 . 2]" 1
386 1 39 GLN QB 1 40 ILE QG 1.800 . 6.000 3.653 2.972 4.730 . 0 0 "[ . 1 . 2]" 1
387 1 39 GLN QE 1 40 ILE QG 1.800 . 6.000 5.214 4.026 6.054 0.054 8 0 "[ . 1 . 2]" 1
388 1 40 ILE QG 1 46 ASN QD 1.800 . 6.000 5.021 2.956 6.060 0.060 20 0 "[ . 1 . 2]" 1
389 1 40 ILE MG 1 46 ASN QB 1.800 . 6.000 4.456 3.705 4.946 . 0 0 "[ . 1 . 2]" 1
390 1 40 ILE MG 1 46 ASN QD 1.800 . 6.000 3.205 1.978 5.179 . 0 0 "[ . 1 . 2]" 1
391 1 40 ILE MG 1 47 GLY H 1.800 . 6.000 4.588 3.959 5.058 . 0 0 "[ . 1 . 2]" 1
392 1 40 ILE HA 1 41 LEU H 1.800 . 6.000 2.259 2.166 2.362 . 0 0 "[ . 1 . 2]" 1
393 1 40 ILE HA 1 46 ASN QD 1.800 . 6.000 3.037 1.777 4.190 0.023 3 0 "[ . 1 . 2]" 1
394 1 40 ILE QG 1 41 LEU H 1.800 . 6.000 3.779 3.246 4.169 . 0 0 "[ . 1 . 2]" 1
395 1 40 ILE HA 1 41 LEU QB 1.800 . 6.000 4.265 4.068 4.631 . 0 0 "[ . 1 . 2]" 1
396 1 41 LEU H 1 41 LEU HA 1.800 . 2.900 2.893 2.809 2.981 0.081 20 0 "[ . 1 . 2]" 1
397 1 41 LEU H 1 41 LEU HB3 1.800 . 3.500 3.048 2.567 3.691 0.191 7 0 "[ . 1 . 2]" 1
398 1 41 LEU H 1 41 LEU HB2 1.800 . 3.500 2.491 2.190 3.051 . 0 0 "[ . 1 . 2]" 1
399 1 41 LEU HB3 1 41 LEU QD 1.800 . 3.500 2.173 2.019 2.317 . 0 0 "[ . 1 . 2]" 1
400 1 41 LEU HB2 1 41 LEU QD 1.800 . 3.500 2.161 2.018 2.376 . 0 0 "[ . 1 . 2]" 1
401 1 41 LEU H 1 41 LEU MD1 1.800 . 6.000 3.913 3.573 4.242 . 0 0 "[ . 1 . 2]" 1
402 1 41 LEU H 1 41 LEU MD2 1.800 . 6.000 3.718 1.955 4.612 . 0 0 "[ . 1 . 2]" 1
403 1 41 LEU H 1 41 LEU HG 1.800 . 6.000 3.747 1.985 4.597 . 0 0 "[ . 1 . 2]" 1
404 1 41 LEU HA 1 46 ASN H 1.800 . 6.000 5.937 5.319 6.119 0.119 4 0 "[ . 1 . 2]" 1
405 1 40 ILE HB 1 41 LEU HB3 1.800 . 6.000 5.620 4.794 6.205 0.205 7 0 "[ . 1 . 2]" 1
406 1 40 ILE HB 1 41 LEU HB2 1.800 . 6.000 5.354 4.393 6.247 0.247 14 0 "[ . 1 . 2]" 1
407 1 41 LEU QB 1 45 GLY H 1.800 . 6.000 3.497 1.779 4.812 0.021 12 0 "[ . 1 . 2]" 1
408 1 41 LEU QB 1 42 GLY QA 1.800 . 6.000 4.116 3.804 4.557 . 0 0 "[ . 1 . 2]" 1
409 1 41 LEU QB 1 43 THR H 1.800 . 3.500 2.788 2.121 3.602 0.102 20 0 "[ . 1 . 2]" 1
410 1 41 LEU QD 1 43 THR HB 1.800 . 6.000 4.459 2.079 6.006 0.006 5 0 "[ . 1 . 2]" 1
411 1 41 LEU QD 1 44 TYR QD 1.800 . 6.000 4.550 2.048 5.996 . 0 0 "[ . 1 . 2]" 1
412 1 41 LEU QD 1 47 GLY QA 1.800 . 6.000 2.627 2.124 4.291 . 0 0 "[ . 1 . 2]" 1
413 1 41 LEU HG 1 46 ASN HA 1.800 . 6.000 4.629 2.277 6.008 0.008 1 0 "[ . 1 . 2]" 1
414 1 41 LEU HG 1 47 GLY QA 1.800 . 6.000 4.575 2.997 5.770 . 0 0 "[ . 1 . 2]" 1
415 1 41 LEU HG 1 43 THR H 1.800 . 6.000 4.024 1.780 5.797 0.020 11 0 "[ . 1 . 2]" 1
416 1 41 LEU HG 1 46 ASN H 1.800 . 6.000 5.018 2.932 6.106 0.106 9 0 "[ . 1 . 2]" 1
417 1 40 ILE QG 1 41 LEU HG 1.800 . 6.000 5.473 4.711 6.167 0.167 12 0 "[ . 1 . 2]" 1
418 1 41 LEU QB 1 44 TYR QD 1.800 . 6.000 5.171 2.634 6.089 0.089 11 0 "[ . 1 . 2]" 1
419 1 41 LEU QB 1 47 GLY QA 1.800 . 6.000 4.048 2.878 5.510 . 0 0 "[ . 1 . 2]" 1
420 1 41 LEU H 1 42 GLY H 1.800 . 6.000 3.612 2.566 4.653 . 0 0 "[ . 1 . 2]" 1
421 1 42 GLY QA 1 43 THR HG1 1.800 . 6.000 3.371 2.833 4.088 . 0 0 "[ . 1 . 2]" 1
422 1 43 THR H 1 43 THR HA 1.800 . 2.900 2.952 2.831 2.983 0.083 4 0 "[ . 1 . 2]" 1
423 1 43 THR HB 1 43 THR HG1 1.800 . 2.900 2.003 1.866 2.086 . 0 0 "[ . 1 . 2]" 1
424 1 43 THR H 1 43 THR HG1 1.800 . 2.900 2.308 1.800 2.928 0.028 12 0 "[ . 1 . 2]" 1
425 1 42 GLY H 1 43 THR H 1.800 . 2.900 2.651 2.168 3.010 0.110 6 0 "[ . 1 . 2]" 1
426 1 43 THR HA 1 44 TYR H 1.800 . 3.500 3.206 2.484 3.570 0.070 2 0 "[ . 1 . 2]" 1
427 1 43 THR HB 1 44 TYR QD 1.800 . 6.000 2.921 2.335 4.402 . 0 0 "[ . 1 . 2]" 1
428 1 43 THR HB 1 44 TYR H 1.800 . 6.000 2.314 1.789 3.225 0.011 12 0 "[ . 1 . 2]" 1
429 1 43 THR HB 1 44 TYR QE 1.800 . 6.000 3.934 3.046 4.780 . 0 0 "[ . 1 . 2]" 1
430 1 43 THR HG1 1 44 TYR H 1.800 . 6.000 2.852 1.861 3.640 . 0 0 "[ . 1 . 2]" 1
431 1 43 THR HG1 1 44 TYR QD 1.800 . 6.000 3.410 2.233 4.070 . 0 0 "[ . 1 . 2]" 1
432 1 44 TYR H 1 44 TYR QB 1.800 . 3.500 2.514 2.289 2.996 . 0 0 "[ . 1 . 2]" 1
433 1 43 THR HB 1 44 TYR QB 1.800 . 6.000 4.146 3.528 5.124 . 0 0 "[ . 1 . 2]" 1
434 1 43 THR HG1 1 44 TYR QE 1.800 . 6.000 3.777 2.367 5.194 . 0 0 "[ . 1 . 2]" 1
435 1 41 LEU H 1 45 GLY H 1.800 . 6.000 4.642 2.560 5.880 . 0 0 "[ . 1 . 2]" 1
436 1 45 GLY QA 1 46 ASN H 1.800 . 6.000 2.358 2.152 2.826 . 0 0 "[ . 1 . 2]" 1
437 1 44 TYR QD 1 45 GLY QA 1.800 . 6.000 4.757 3.033 5.628 . 0 0 "[ . 1 . 2]" 1
438 1 46 ASN H 1 46 ASN HA 1.800 . 2.900 2.968 2.958 2.978 0.078 19 0 "[ . 1 . 2]" 1
439 1 46 ASN H 1 46 ASN HB3 1.800 . 3.500 3.269 2.855 3.726 0.226 1 0 "[ . 1 . 2]" 1
440 1 46 ASN H 1 46 ASN HB2 1.800 . 3.500 2.843 2.395 3.215 . 0 0 "[ . 1 . 2]" 1
441 1 46 ASN HA 1 47 GLY H 1.800 . 3.500 2.403 2.184 2.532 . 0 0 "[ . 1 . 2]" 1
442 1 46 ASN HD21 1 47 GLY QA 1.800 . 6.000 4.989 3.437 6.051 0.051 16 0 "[ . 1 . 2]" 1
443 1 47 GLY QA 1 49 TRP HZ3 1.800 . 6.000 5.403 2.400 6.040 0.040 4 0 "[ . 1 . 2]" 1
444 1 47 GLY QA 1 48 CYS H 1.800 . 2.900 2.251 2.149 2.317 . 0 0 "[ . 1 . 2]" 1
445 1 13 VAL MG1 1 47 GLY QA 1.800 . 6.000 4.300 3.464 5.572 . 0 0 "[ . 1 . 2]" 1
446 1 47 GLY H 1 48 CYS H 1.800 . 6.000 4.404 4.054 4.486 . 0 0 "[ . 1 . 2]" 1
447 1 48 CYS H 1 48 CYS HA 1.800 . 2.900 2.975 2.963 2.990 0.090 12 0 "[ . 1 . 2]" 1
448 1 48 CYS H 1 48 CYS QB 1.800 . 2.900 2.346 2.222 2.694 . 0 0 "[ . 1 . 2]" 1
449 1 48 CYS HA 1 49 TRP H 1.800 . 3.500 2.268 2.197 2.380 . 0 0 "[ . 1 . 2]" 1
450 1 48 CYS HA 1 49 TRP QB 1.800 . 6.000 4.205 3.891 4.855 . 0 0 "[ . 1 . 2]" 1
451 1 49 TRP H 1 49 TRP HA 1.800 . 2.900 2.986 2.977 2.989 0.089 17 0 "[ . 1 . 2]" 1
452 1 49 TRP H 1 49 TRP QB 1.800 . 3.500 2.655 2.387 3.117 . 0 0 "[ . 1 . 2]" 1
453 1 49 TRP H 1 49 TRP HD1 1.800 . 6.000 4.594 2.533 5.323 . 0 0 "[ . 1 . 2]" 1
454 1 3 ASP H 1 49 TRP HA 1.800 . 6.000 4.852 4.325 5.464 . 0 0 "[ . 1 . 2]" 1
455 1 49 TRP HA 1 50 CYS H 1.800 . 2.900 2.223 2.176 2.290 . 0 0 "[ . 1 . 2]" 1
456 1 39 GLN H 1 49 TRP QB 1.800 . 6.000 3.159 2.939 3.323 . 0 0 "[ . 1 . 2]" 1
457 1 37 TYR H 1 49 TRP H 1.800 . 6.000 3.158 2.817 3.760 . 0 0 "[ . 1 . 2]" 1
458 1 49 TRP HD1 1 51 ILE MD 1.800 . 6.000 2.647 2.028 3.507 . 0 0 "[ . 1 . 2]" 1
459 1 49 TRP QB 1 51 ILE QG 1.800 . 6.000 4.177 2.998 5.221 . 0 0 "[ . 1 . 2]" 1
460 1 50 CYS H 1 50 CYS QB 1.800 . 3.500 2.536 2.418 2.664 . 0 0 "[ . 1 . 2]" 1
461 1 37 TYR H 1 50 CYS HA 1.800 . 6.000 3.596 3.017 3.961 . 0 0 "[ . 1 . 2]" 1
462 1 50 CYS HA 1 51 ILE H 1.800 . 3.500 2.220 2.175 2.356 . 0 0 "[ . 1 . 2]" 1
463 1 3 ASP HA 1 50 CYS QB 1.800 . 6.000 4.463 4.074 4.994 . 0 0 "[ . 1 . 2]" 1
464 1 49 TRP HD1 1 50 CYS HA 1.800 . 6.000 4.126 3.001 4.918 . 0 0 "[ . 1 . 2]" 1
465 1 50 CYS HA 1 51 ILE HA 1.800 . 6.000 4.449 4.429 4.464 . 0 0 "[ . 1 . 2]" 1
466 1 36 GLY QA 1 50 CYS QB 1.800 . 6.000 3.652 2.966 4.170 . 0 0 "[ . 1 . 2]" 1
467 1 51 ILE H 1 51 ILE HA 1.800 . 2.900 2.984 2.965 2.988 0.088 13 0 "[ . 1 . 2]" 1
468 1 51 ILE H 1 51 ILE QG 1.800 . 6.000 2.696 2.227 3.003 . 0 0 "[ . 1 . 2]" 1
469 1 51 ILE H 1 51 ILE MG 1.800 . 6.000 3.859 3.820 3.891 . 0 0 "[ . 1 . 2]" 1
470 1 51 ILE H 1 51 ILE MD 1.800 . 6.000 3.299 2.790 3.905 . 0 0 "[ . 1 . 2]" 1
471 1 51 ILE HA 1 52 ALA HA 1.800 . 6.000 4.499 4.453 4.558 . 0 0 "[ . 1 . 2]" 1
472 1 51 ILE HA 1 52 ALA H 1.800 . 3.500 2.203 2.161 2.252 . 0 0 "[ . 1 . 2]" 1
473 1 36 GLY QA 1 51 ILE HB 1.800 . 6.000 4.367 2.418 6.002 0.002 8 0 "[ . 1 . 2]" 1
474 1 2 ARG QD 1 51 ILE HB 1.800 . 6.000 5.599 5.034 6.004 0.004 2 0 "[ . 1 . 2]" 1
475 1 2 ARG QG 1 51 ILE MD 1.800 . 6.000 4.239 2.310 5.951 . 0 0 "[ . 1 . 2]" 1
476 1 3 ASP H 1 51 ILE MD 1.800 . 6.000 5.468 3.821 6.095 0.095 7 0 "[ . 1 . 2]" 1
477 1 35 SER QB 1 51 ILE MD 1.800 . 6.000 4.712 3.232 6.040 0.040 19 0 "[ . 1 . 2]" 1
478 1 36 GLY QA 1 51 ILE MD 1.800 . 6.000 3.638 2.448 5.392 . 0 0 "[ . 1 . 2]" 1
479 1 37 TYR QE 1 51 ILE MD 1.800 . 6.000 2.692 1.974 5.051 . 0 0 "[ . 1 . 2]" 1
480 1 49 TRP HE1 1 51 ILE MD 1.800 . 6.000 3.754 2.478 5.340 . 0 0 "[ . 1 . 2]" 1
481 1 49 TRP H 1 51 ILE MD 1.800 . 6.000 5.932 4.921 6.088 0.088 2 0 "[ . 1 . 2]" 1
482 1 49 TRP QB 1 51 ILE MD 1.800 . 6.000 3.589 2.437 3.888 . 0 0 "[ . 1 . 2]" 1
483 1 37 TYR QD 1 51 ILE QG 1.800 . 6.000 3.849 2.647 4.691 . 0 0 "[ . 1 . 2]" 1
484 1 37 TYR QE 1 51 ILE QG 1.800 . 6.000 3.628 2.094 4.491 . 0 0 "[ . 1 . 2]" 1
485 1 49 TRP HE1 1 51 ILE QG 1.800 . 6.000 3.584 2.460 5.894 . 0 0 "[ . 1 . 2]" 1
486 1 50 CYS H 1 51 ILE QG 1.800 . 6.000 4.206 3.628 5.155 . 0 0 "[ . 1 . 2]" 1
487 1 35 SER H 1 51 ILE MG 1.800 . 6.000 4.628 3.757 5.376 . 0 0 "[ . 1 . 2]" 1
488 1 49 TRP HD1 1 51 ILE MG 1.800 . 6.000 5.041 4.402 6.108 0.108 19 0 "[ . 1 . 2]" 1
489 1 52 ALA H 1 52 ALA MB 1.800 . 3.500 2.894 2.746 3.079 . 0 0 "[ . 1 . 2]" 1
490 1 52 ALA HA 1 53 LEU H 1.800 . 3.500 3.247 2.303 3.575 0.075 7 0 "[ . 1 . 2]" 1
491 1 33 ALA H 1 52 ALA MB 1.800 . 6.000 4.879 4.064 6.067 0.067 6 0 "[ . 1 . 2]" 1
492 1 34 LYS QD 1 52 ALA MB 1.800 . 6.000 4.442 2.988 6.039 0.039 17 0 "[ . 1 . 2]" 1
493 1 50 CYS QB 1 52 ALA MB 1.800 . 6.000 4.386 3.626 5.213 . 0 0 "[ . 1 . 2]" 1
494 1 52 ALA MB 1 53 LEU H 1.800 . 3.500 2.369 1.754 3.701 0.201 15 0 "[ . 1 . 2]" 1
495 1 2 ARG HA 1 52 ALA MB 1.800 . 6.000 4.354 3.457 5.694 . 0 0 "[ . 1 . 2]" 1
496 1 53 LEU H 1 53 LEU QB 1.800 . 3.500 2.634 2.421 3.137 . 0 0 "[ . 1 . 2]" 1
497 1 53 LEU H 1 53 LEU QD 1.800 . 6.000 3.644 2.286 4.042 . 0 0 "[ . 1 . 2]" 1
498 1 53 LEU H 1 53 LEU HG 1.800 . 6.000 4.246 1.874 4.735 . 0 0 "[ . 1 . 2]" 1
499 1 53 LEU HA 1 54 PRO HA 1.800 . 6.000 4.605 4.392 4.930 . 0 0 "[ . 1 . 2]" 1
500 1 2 ARG HA 1 53 LEU QB 1.800 . 6.000 5.316 2.572 6.153 0.153 17 0 "[ . 1 . 2]" 1
501 1 52 ALA H 1 53 LEU QB 1.800 . 6.000 4.623 3.975 5.762 . 0 0 "[ . 1 . 2]" 1
502 1 2 ARG HA 1 53 LEU QD 1.800 . 6.000 5.541 3.583 6.093 0.093 11 0 "[ . 1 . 2]" 1
503 1 2 ARG QB 1 53 LEU QD 1.800 . 6.000 5.022 2.821 5.718 . 0 0 "[ . 1 . 2]" 1
504 1 53 LEU HG 1 56 ASN QB 1.800 . 6.000 4.708 2.173 6.075 0.075 12 0 "[ . 1 . 2]" 1
505 1 52 ALA HA 1 53 LEU HA 1.800 . 6.000 4.563 4.437 4.848 . 0 0 "[ . 1 . 2]" 1
506 1 53 LEU HG 1 55 ASP H 1.800 . 6.000 4.491 2.181 6.021 0.021 8 0 "[ . 1 . 2]" 1
507 1 1 ALA HA 1 53 LEU HG 1.800 . 6.000 4.572 2.926 6.154 0.154 17 0 "[ . 1 . 2]" 1
508 1 54 PRO HA 1 55 ASP H 1.800 . 3.500 3.198 2.367 3.562 0.062 13 0 "[ . 1 . 2]" 1
509 1 54 PRO HA 1 56 ASN H 1.800 . 6.000 4.445 3.409 6.153 0.153 18 0 "[ . 1 . 2]" 1
510 1 53 LEU QB 1 54 PRO QB 1.800 . 6.000 5.248 4.045 5.725 . 0 0 "[ . 1 . 2]" 1
511 1 54 PRO QB 1 55 ASP H 1.800 . 6.000 2.851 1.730 3.984 0.070 2 0 "[ . 1 . 2]" 1
512 1 53 LEU QB 1 54 PRO QG 1.800 . 6.000 4.990 3.479 5.467 . 0 0 "[ . 1 . 2]" 1
513 1 53 LEU HG 1 54 PRO HA 1.800 . 6.000 5.117 4.544 6.063 0.063 8 0 "[ . 1 . 2]" 1
514 1 1 ALA HA 1 54 PRO QB 1.800 . 6.000 5.556 2.304 6.082 0.082 5 0 "[ . 1 . 2]" 1
515 1 54 PRO QB 1 56 ASN QB 1.800 . 6.000 5.452 4.109 6.207 0.207 9 0 "[ . 1 . 2]" 1
516 1 53 LEU HA 1 54 PRO QD 1.800 . 6.000 2.213 2.056 3.489 . 0 0 "[ . 1 . 2]" 1
517 1 55 ASP H 1 55 ASP QB 1.800 . 3.500 2.658 2.258 3.349 . 0 0 "[ . 1 . 2]" 1
518 1 55 ASP QB 1 56 ASN QD 1.800 . 6.000 5.017 2.617 6.058 0.058 10 0 "[ . 1 . 2]" 1
519 1 56 ASN H 1 56 ASN HA 1.800 . 2.900 2.805 2.344 2.985 0.085 3 0 "[ . 1 . 2]" 1
520 1 56 ASN H 1 56 ASN HD21 1.800 . 6.000 4.194 2.596 5.392 . 0 0 "[ . 1 . 2]" 1
521 1 56 ASN H 1 56 ASN HD22 1.800 . 6.000 5.069 3.666 6.108 0.108 18 0 "[ . 1 . 2]" 1
522 1 56 ASN H 1 56 ASN QB 1.800 . 3.500 2.672 2.264 3.387 . 0 0 "[ . 1 . 2]" 1
523 1 55 ASP H 1 56 ASN H 1.800 . 6.000 2.828 2.072 4.459 . 0 0 "[ . 1 . 2]" 1
524 1 56 ASN HA 1 57 VAL H 1.800 . 3.500 2.657 2.186 3.553 0.053 16 0 "[ . 1 . 2]" 1
525 1 55 ASP QB 1 56 ASN QB 1.800 . 6.000 4.305 3.273 5.578 . 0 0 "[ . 1 . 2]" 1
526 1 57 VAL H 1 57 VAL HA 1.800 . 2.900 2.705 2.346 2.988 0.088 5 0 "[ . 1 . 2]" 1
527 1 57 VAL H 1 57 VAL MG1 1.800 . 6.000 3.404 1.784 4.043 0.016 18 0 "[ . 1 . 2]" 1
528 1 57 VAL H 1 57 VAL MG2 1.800 . 6.000 2.650 1.800 3.916 0.000 4 0 "[ . 1 . 2]" 1
529 1 57 VAL HB 1 58 PRO QD 1.800 . 6.000 4.273 4.004 4.383 . 0 0 "[ . 1 . 2]" 1
530 1 56 ASN QD 1 57 VAL QG 1.800 . 6.000 4.450 2.742 6.095 0.095 18 0 "[ . 1 . 2]" 1
531 1 57 VAL QG 1 59 ILE H 1.800 . 6.000 4.543 2.739 5.411 . 0 0 "[ . 1 . 2]" 1
532 1 58 PRO QB 1 58 PRO QD 1.800 . 2.900 2.900 2.846 3.003 0.103 20 0 "[ . 1 . 2]" 1
533 1 58 PRO QB 1 59 ILE H 1.800 . 6.000 2.709 1.766 3.879 0.034 16 0 "[ . 1 . 2]" 1
534 1 58 PRO QD 1 60 ARG H 1.800 . 6.000 5.556 3.486 6.115 0.115 9 0 "[ . 1 . 2]" 1
535 1 58 PRO QD 1 59 ILE HA 1.800 . 6.000 5.112 4.604 6.171 0.171 19 0 "[ . 1 . 2]" 1
536 1 58 PRO QB 1 59 ILE MG 1.800 . 6.000 4.906 2.494 5.494 . 0 0 "[ . 1 . 2]" 1
537 1 57 VAL H 1 58 PRO HA 1.800 . 6.000 5.087 4.436 5.611 . 0 0 "[ . 1 . 2]" 1
538 1 56 ASN HA 1 58 PRO QB 1.800 . 6.000 5.597 4.955 6.096 0.096 11 0 "[ . 1 . 2]" 1
539 1 58 PRO QG 1 60 ARG HA 1.800 . 6.000 5.670 3.888 6.093 0.093 15 0 "[ . 1 . 2]" 1
540 1 59 ILE H 1 59 ILE HA 1.800 . 2.900 2.790 2.349 2.989 0.089 1 0 "[ . 1 . 2]" 1
541 1 59 ILE H 1 59 ILE MD 1.800 . 6.000 3.651 1.770 4.096 0.030 16 0 "[ . 1 . 2]" 1
542 1 59 ILE H 1 59 ILE QG 1.800 . 6.000 2.509 2.158 2.737 . 0 0 "[ . 1 . 2]" 1
543 1 59 ILE HA 1 59 ILE MG 1.800 . 3.500 2.299 2.172 2.380 . 0 0 "[ . 1 . 2]" 1
544 1 59 ILE H 1 59 ILE MG 1.800 . 6.000 3.832 2.880 4.042 . 0 0 "[ . 1 . 2]" 1
545 1 59 ILE H 1 60 ARG QB 1.800 . 6.000 5.387 4.438 6.037 0.037 16 0 "[ . 1 . 2]" 1
546 1 59 ILE HA 1 61 ILE H 1.800 . 6.000 3.919 3.210 6.039 0.039 2 0 "[ . 1 . 2]" 1
547 1 59 ILE HB 1 60 ARG H 1.800 . 6.000 4.064 2.661 4.453 . 0 0 "[ . 1 . 2]" 1
548 1 58 PRO QG 1 59 ILE MD 1.800 . 6.000 4.676 2.594 6.213 0.213 3 0 "[ . 1 . 2]" 1
549 1 58 PRO QD 1 59 ILE MD 1.800 . 6.000 5.331 4.154 6.108 0.108 20 0 "[ . 1 . 2]" 1
550 1 58 PRO QB 1 59 ILE QG 1.800 . 6.000 3.425 2.258 5.127 . 0 0 "[ . 1 . 2]" 1
551 1 5 TYR QD 1 59 ILE QG 1.800 . 6.000 5.861 5.034 6.077 0.077 17 0 "[ . 1 . 2]" 1
552 1 59 ILE QG 1 60 ARG H 1.800 . 6.000 4.389 3.565 4.833 . 0 0 "[ . 1 . 2]" 1
553 1 59 ILE QG 1 61 ILE QG 1.800 . 6.000 5.193 2.942 6.147 0.147 18 0 "[ . 1 . 2]" 1
554 1 59 ILE QG 1 61 ILE H 1.800 . 6.000 5.127 4.137 6.045 0.045 3 0 "[ . 1 . 2]" 1
555 1 5 TYR H 1 59 ILE QG 1.800 . 6.000 5.434 4.570 6.035 0.035 20 0 "[ . 1 . 2]" 1
556 1 58 PRO QD 1 59 ILE MG 1.800 . 6.000 5.735 4.728 6.308 0.308 18 0 "[ . 1 . 2]" 1
557 1 58 PRO HA 1 59 ILE MG 1.800 . 6.000 5.539 3.831 5.977 . 0 0 "[ . 1 . 2]" 1
558 1 58 PRO QG 1 59 ILE MG 1.800 . 6.000 5.200 3.552 6.063 0.063 18 0 "[ . 1 . 2]" 1
559 1 58 PRO HA 1 59 ILE QG 1.800 . 6.000 4.051 3.327 5.019 . 0 0 "[ . 1 . 2]" 1
560 1 59 ILE HA 1 61 ILE QG 1.800 . 6.000 4.557 2.997 5.419 . 0 0 "[ . 1 . 2]" 1
561 1 60 ARG H 1 60 ARG HA 1.800 . 2.900 2.881 2.357 2.988 0.088 14 0 "[ . 1 . 2]" 1
562 1 60 ARG H 1 60 ARG QD 1.800 . 6.000 3.370 1.764 4.579 0.036 1 0 "[ . 1 . 2]" 1
563 1 60 ARG H 1 60 ARG QG 1.800 . 6.000 2.676 1.683 4.114 0.117 20 0 "[ . 1 . 2]" 1
564 1 60 ARG H 1 61 ILE MG 1.800 . 6.000 4.737 2.696 6.051 0.051 18 0 "[ . 1 . 2]" 1
565 1 60 ARG HA 1 61 ILE H 1.800 . 3.500 3.211 2.176 3.554 0.054 20 0 "[ . 1 . 2]" 1
566 1 60 ARG QG 1 61 ILE QG 1.800 . 6.000 4.520 2.051 6.062 0.062 19 0 "[ . 1 . 2]" 1
567 1 59 ILE H 1 60 ARG QD 1.800 . 6.000 5.734 4.768 6.131 0.131 9 0 "[ . 1 . 2]" 1
568 1 61 ILE HB 1 61 ILE MD 1.800 . 3.500 2.460 2.116 3.220 . 0 0 "[ . 1 . 2]" 1
569 1 61 ILE H 1 61 ILE MD 1.800 . 6.000 2.550 1.706 3.722 0.094 20 0 "[ . 1 . 2]" 1
570 1 61 ILE H 1 61 ILE MG 1.800 . 6.000 3.182 1.834 3.894 . 0 0 "[ . 1 . 2]" 1
571 1 61 ILE QG 1 61 ILE MG 1.800 . 2.900 2.217 2.030 2.530 . 0 0 "[ . 1 . 2]" 1
572 1 61 ILE H 1 61 ILE QG 1.800 . 6.000 2.344 1.718 3.406 0.082 15 0 "[ . 1 . 2]" 1
573 1 61 ILE HA 1 61 ILE MG 1.800 . 3.500 2.314 2.149 2.605 . 0 0 "[ . 1 . 2]" 1
574 1 61 ILE HA 1 61 ILE QG 1.800 . 6.000 3.014 2.247 3.485 . 0 0 "[ . 1 . 2]" 1
575 1 61 ILE HA 1 62 PRO QG 1.800 . 6.000 4.021 3.963 4.074 . 0 0 "[ . 1 . 2]" 1
576 1 61 ILE HB 1 62 PRO HA 1.800 . 6.000 5.095 4.795 5.774 . 0 0 "[ . 1 . 2]" 1
577 1 61 ILE HB 1 62 PRO QB 1.800 . 6.000 5.320 4.619 6.248 0.248 5 0 "[ . 1 . 2]" 1
578 1 60 ARG QD 1 61 ILE HB 1.800 . 6.000 6.022 5.658 6.216 0.216 18 0 "[ . 1 . 2]" 1
579 1 59 ILE H 1 61 ILE MD 1.800 . 6.000 5.660 4.177 6.140 0.140 9 0 "[ . 1 . 2]" 1
580 1 60 ARG H 1 61 ILE MD 1.800 . 6.000 3.694 2.056 5.269 . 0 0 "[ . 1 . 2]" 1
581 1 60 ARG QD 1 61 ILE QG 1.800 . 6.000 4.687 3.241 5.804 . 0 0 "[ . 1 . 2]" 1
582 1 61 ILE QG 1 65 CYS H 1.800 . 6.000 5.061 2.544 6.049 0.049 3 0 "[ . 1 . 2]" 1
583 1 59 ILE H 1 61 ILE H 1.800 . 6.000 5.473 4.376 6.149 0.149 2 0 "[ . 1 . 2]" 1
584 1 61 ILE QG 1 63 GLY QA 1.800 . 6.000 4.541 2.566 6.019 0.019 18 0 "[ . 1 . 2]" 1
585 1 62 PRO QG 1 64 LYS QE 1.800 . 6.000 4.600 2.999 6.089 0.089 18 0 "[ . 1 . 2]" 1
586 1 62 PRO QG 1 63 GLY QA 1.800 . 6.000 4.784 4.297 5.432 . 0 0 "[ . 1 . 2]" 1
587 1 62 PRO QG 1 64 LYS QG 1.800 . 5.000 3.974 2.463 4.983 . 0 0 "[ . 1 . 2]" 1
588 1 63 GLY H 1 63 GLY HA3 1.800 . 2.900 2.931 2.346 2.975 0.075 10 0 "[ . 1 . 2]" 1
589 1 63 GLY H 1 63 GLY HA2 1.800 . 2.900 2.518 2.387 2.868 . 0 0 "[ . 1 . 2]" 1
590 1 63 GLY QA 1 64 LYS H 1.800 . 3.500 2.910 2.842 2.937 . 0 0 "[ . 1 . 2]" 1
591 1 63 GLY QA 1 65 CYS H 1.800 . 6.000 4.316 3.343 5.734 . 0 0 "[ . 1 . 2]" 1
592 1 64 LYS H 1 64 LYS HA 1.800 . 2.900 2.884 2.825 2.983 0.083 5 0 "[ . 1 . 2]" 1
593 1 64 LYS H 1 64 LYS QB 1.800 . 3.500 2.375 2.248 2.598 . 0 0 "[ . 1 . 2]" 1
594 1 64 LYS H 1 64 LYS QD 1.800 . 6.000 4.307 3.629 4.724 . 0 0 "[ . 1 . 2]" 1
595 1 64 LYS QE 1 64 LYS QG 1.800 . 3.500 2.177 2.094 2.273 . 0 0 "[ . 1 . 2]" 1
596 1 64 LYS H 1 64 LYS QG 1.800 . 6.000 3.192 2.057 4.007 . 0 0 "[ . 1 . 2]" 1
597 1 64 LYS H 1 64 LYS QE 1.800 . 6.000 4.758 3.360 5.999 . 0 0 "[ . 1 . 2]" 1
598 1 64 LYS H 1 65 CYS H 1.800 . 6.000 3.439 2.693 4.609 . 0 0 "[ . 1 . 2]" 1
599 1 64 LYS HA 1 65 CYS H 1.800 . 3.500 3.017 2.179 3.547 0.047 18 0 "[ . 1 . 2]" 1
600 1 64 LYS QB 1 65 CYS H 1.800 . 6.000 2.890 2.522 3.742 . 0 0 "[ . 1 . 2]" 1
601 1 64 LYS QD 1 65 CYS H 1.800 . 6.000 4.874 3.634 5.731 . 0 0 "[ . 1 . 2]" 1
602 1 64 LYS QG 1 65 CYS H 1.800 . 6.000 3.708 2.131 4.638 . 0 0 "[ . 1 . 2]" 1
603 1 61 ILE HA 1 64 LYS QB 1.800 . 6.000 5.246 2.698 6.052 0.052 11 0 "[ . 1 . 2]" 1
604 1 64 LYS QB 1 65 CYS HA 1.800 . 6.000 4.398 3.928 5.141 . 0 0 "[ . 1 . 2]" 1
605 1 11 ASN QB 1 65 CYS HA 1.800 . 6.000 5.794 4.679 6.059 0.059 14 0 "[ . 1 . 2]" 1
606 1 11 ASN HA 1 65 CYS QB 1.800 . 6.000 4.560 3.090 5.776 . 0 0 "[ . 1 . 2]" 1
607 1 64 LYS QE 1 65 CYS QB 1.800 . 6.000 5.779 4.747 6.106 0.106 18 0 "[ . 1 . 2]" 1
608 1 64 LYS H 1 65 CYS QB 1.800 . 6.000 5.318 4.450 6.169 0.169 8 0 "[ . 1 . 2]" 1
609 1 65 CYS QB 1 66 HIS HA 1.800 . 6.000 4.288 3.830 4.779 . 0 0 "[ . 1 . 2]" 1
610 1 65 CYS QB 1 66 HIS HD1 1.800 . 6.000 5.160 1.909 6.075 0.075 20 0 "[ . 1 . 2]" 1
611 1 66 HIS HA 1 66 HIS HE1 1.800 . 6.000 5.005 4.522 6.062 0.062 10 0 "[ . 1 . 2]" 1
612 1 66 HIS QB 1 66 HIS HD1 1.800 . 3.500 2.677 2.493 2.836 . 0 0 "[ . 1 . 2]" 1
613 1 65 CYS H 1 66 HIS HA 1.800 . 6.000 5.400 4.985 6.063 0.063 13 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 26
_Distance_constraint_stats_list.Viol_count 168
_Distance_constraint_stats_list.Viol_total 158.340
_Distance_constraint_stats_list.Viol_max 0.138
_Distance_constraint_stats_list.Viol_rms 0.0287
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0152
_Distance_constraint_stats_list.Viol_average_violations_only 0.0471
_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 3 ASP 1.625 0.109 19 0 "[ . 1 . 2]"
1 5 TYR 1.463 0.103 19 0 "[ . 1 . 2]"
1 22 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 TYR 0.784 0.092 1 0 "[ . 1 . 2]"
1 24 CYS 0.810 0.087 14 0 "[ . 1 . 2]"
1 25 ASN 0.030 0.019 2 0 "[ . 1 . 2]"
1 26 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 VAL 0.784 0.092 1 0 "[ . 1 . 2]"
1 28 CYS 0.810 0.087 14 0 "[ . 1 . 2]"
1 29 THR 0.030 0.019 2 0 "[ . 1 . 2]"
1 35 SER 1.731 0.138 1 0 "[ . 1 . 2]"
1 37 TYR 0.467 0.110 17 0 "[ . 1 . 2]"
1 39 GLN 1.006 0.110 9 0 "[ . 1 . 2]"
1 47 GLY 1.006 0.110 9 0 "[ . 1 . 2]"
1 48 CYS 1.463 0.103 19 0 "[ . 1 . 2]"
1 49 TRP 0.467 0.110 17 0 "[ . 1 . 2]"
1 50 CYS 1.625 0.109 19 0 "[ . 1 . 2]"
1 51 ILE 1.731 0.138 1 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 5 TYR O 1 48 CYS H 2.000 . 2.200 2.262 2.119 2.303 0.103 19 0 "[ . 1 . 2]" 2
2 1 5 TYR O 1 48 CYS N 3.000 2.200 3.200 3.157 2.974 3.240 0.040 12 0 "[ . 1 . 2]" 2
3 1 3 ASP O 1 50 CYS H 2.000 . 2.200 2.262 2.216 2.306 0.106 2 0 "[ . 1 . 2]" 2
4 1 3 ASP O 1 50 CYS N 3.000 2.200 3.200 3.130 2.995 3.250 0.050 5 0 "[ . 1 . 2]" 2
5 1 3 ASP H 1 50 CYS O 2.000 . 2.200 2.083 1.638 2.309 0.109 19 0 "[ . 1 . 2]" 2
6 1 3 ASP N 1 50 CYS O 3.000 2.200 3.200 2.969 2.583 3.197 . 0 0 "[ . 1 . 2]" 2
7 1 35 SER H 1 51 ILE O 2.000 . 2.500 2.553 2.100 2.638 0.138 1 0 "[ . 1 . 2]" 2
8 1 35 SER N 1 51 ILE O 3.000 2.200 3.500 3.441 2.933 3.541 0.041 1 0 "[ . 1 . 2]" 2
9 1 35 SER O 1 51 ILE H 2.000 . 2.500 1.977 1.659 2.545 0.045 10 0 "[ . 1 . 2]" 2
10 1 35 SER O 1 51 ILE N 3.000 2.200 3.200 2.892 2.612 3.279 0.079 10 0 "[ . 1 . 2]" 2
11 1 37 TYR H 1 49 TRP O 2.000 . 2.200 1.967 1.619 2.237 0.037 10 0 "[ . 1 . 2]" 2
12 1 37 TYR N 1 49 TRP O 3.000 2.200 3.200 2.770 2.413 3.119 . 0 0 "[ . 1 . 2]" 2
13 1 37 TYR O 1 49 TRP H 2.000 . 2.200 1.905 1.616 2.310 0.110 17 0 "[ . 1 . 2]" 2
14 1 37 TYR O 1 49 TRP N 3.000 2.200 3.200 2.701 2.344 3.163 . 0 0 "[ . 1 . 2]" 2
15 1 39 GLN H 1 47 GLY O 2.000 . 2.200 2.132 1.766 2.265 0.065 12 0 "[ . 1 . 2]" 2
16 1 39 GLN N 1 47 GLY O 3.000 2.200 3.200 2.986 2.698 3.228 0.028 12 0 "[ . 1 . 2]" 2
17 1 39 GLN O 1 47 GLY H 2.000 . 2.200 2.117 1.792 2.310 0.110 9 0 "[ . 1 . 2]" 2
18 1 39 GLN O 1 47 GLY N 3.000 2.200 3.200 3.066 2.673 3.257 0.057 1 0 "[ . 1 . 2]" 2
19 1 25 ASN O 1 29 THR H 2.000 . 2.200 1.916 1.683 2.219 0.019 2 0 "[ . 1 . 2]" 2
20 1 25 ASN O 1 29 THR N 3.000 2.200 3.200 2.763 2.465 3.145 . 0 0 "[ . 1 . 2]" 2
21 1 24 CYS O 1 28 CYS H 2.000 . 2.200 2.159 1.711 2.287 0.087 14 0 "[ . 1 . 2]" 2
22 1 24 CYS O 1 28 CYS N 3.000 2.200 3.200 3.112 2.672 3.241 0.041 14 0 "[ . 1 . 2]" 2
23 1 23 TYR O 1 27 VAL H 2.000 . 2.200 2.238 2.185 2.292 0.092 1 0 "[ . 1 . 2]" 2
24 1 23 TYR O 1 27 VAL N 3.000 2.200 3.200 3.138 3.081 3.198 . 0 0 "[ . 1 . 2]" 2
25 1 22 SER O 1 26 GLY H 2.000 . 2.200 1.673 1.624 1.849 . 0 0 "[ . 1 . 2]" 2
26 1 22 SER O 1 26 GLY N 3.000 2.200 3.200 2.476 2.360 2.740 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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