NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
563242 |
2m7b   |
19179 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m7b
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 477
_Distance_constraint_stats_list.Viol_count 831
_Distance_constraint_stats_list.Viol_total 1161.982
_Distance_constraint_stats_list.Viol_max 0.523
_Distance_constraint_stats_list.Viol_rms 0.0278
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0061
_Distance_constraint_stats_list.Viol_average_violations_only 0.0699
_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 20 ALA 0.090 0.053 10 0 "[ . 1 . 2]"
1 21 VAL 3.263 0.247 11 0 "[ . 1 . 2]"
1 22 TYR 2.264 0.179 9 0 "[ . 1 . 2]"
1 23 ILE 1.092 0.300 1 0 "[ . 1 . 2]"
1 24 ALA 1.942 0.188 10 0 "[ . 1 . 2]"
1 25 ILE 3.078 0.165 19 0 "[ . 1 . 2]"
1 26 GLU 0.145 0.074 1 0 "[ . 1 . 2]"
1 27 ALA 0.359 0.061 10 0 "[ . 1 . 2]"
1 28 GLY 0.820 0.162 18 0 "[ . 1 . 2]"
1 29 THR 1.324 0.158 18 0 "[ . 1 . 2]"
1 30 LEU 2.587 0.158 18 0 "[ . 1 . 2]"
1 31 ALA 3.479 0.196 19 0 "[ . 1 . 2]"
1 32 GLU 2.281 0.166 13 0 "[ . 1 . 2]"
1 33 CYS 0.189 0.075 7 0 "[ . 1 . 2]"
1 34 GLU 0.311 0.121 14 0 "[ . 1 . 2]"
1 35 VAL 1.858 0.523 9 1 "[ . +1 . 2]"
1 36 HIS 4.043 0.410 20 0 "[ . 1 . 2]"
1 37 GLU 1.541 0.523 9 1 "[ . +1 . 2]"
1 38 GLY 0.504 0.166 13 0 "[ . 1 . 2]"
1 39 THR 0.967 0.157 4 0 "[ . 1 . 2]"
1 40 TYR 5.029 0.196 19 0 "[ . 1 . 2]"
1 41 PHE 5.079 0.407 13 0 "[ . 1 . 2]"
1 42 SER 0.161 0.073 12 0 "[ . 1 . 2]"
1 43 ASP 6.273 0.255 19 0 "[ . 1 . 2]"
1 44 SER 3.455 0.255 19 0 "[ . 1 . 2]"
1 45 GLY 0.335 0.082 20 0 "[ . 1 . 2]"
1 46 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ILE 2.565 0.140 14 0 "[ . 1 . 2]"
1 48 SER 0.388 0.093 15 0 "[ . 1 . 2]"
1 49 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ALA 1.696 0.333 20 0 "[ . 1 . 2]"
1 51 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 LEU 3.039 0.333 20 0 "[ . 1 . 2]"
1 54 ALA 3.446 0.255 10 0 "[ . 1 . 2]"
1 55 ARG 0.543 0.111 12 0 "[ . 1 . 2]"
1 56 GLU 0.814 0.125 11 0 "[ . 1 . 2]"
1 57 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 PHE 3.478 0.249 6 0 "[ . 1 . 2]"
1 59 GLU 0.001 0.001 18 0 "[ . 1 . 2]"
1 60 LYS 0.400 0.123 1 0 "[ . 1 . 2]"
1 61 GLY 0.810 0.250 17 0 "[ . 1 . 2]"
1 62 GLU 0.810 0.250 17 0 "[ . 1 . 2]"
1 63 VAL 1.938 0.286 6 0 "[ . 1 . 2]"
1 64 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 ASN 0.039 0.018 11 0 "[ . 1 . 2]"
1 66 PHE 0.255 0.071 9 0 "[ . 1 . 2]"
1 67 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 VAL 0.838 0.141 3 0 "[ . 1 . 2]"
1 70 GLU 0.284 0.141 3 0 "[ . 1 . 2]"
1 71 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 LEU 4.639 0.286 6 0 "[ . 1 . 2]"
1 73 VAL 2.009 0.134 17 0 "[ . 1 . 2]"
1 74 LYS 1.750 0.135 4 0 "[ . 1 . 2]"
1 75 LYS 1.364 0.249 17 0 "[ . 1 . 2]"
1 76 VAL 5.461 0.249 6 0 "[ . 1 . 2]"
1 77 VAL 1.906 0.141 3 0 "[ . 1 . 2]"
1 78 ALA 1.906 0.236 9 0 "[ . 1 . 2]"
1 79 VAL 3.828 0.247 11 0 "[ . 1 . 2]"
1 80 CYS 0.399 0.155 1 0 "[ . 1 . 2]"
1 81 GLU 2.173 0.177 15 0 "[ . 1 . 2]"
1 82 GLU 0.453 0.177 15 0 "[ . 1 . 2]"
1 83 LEU 1.718 0.114 19 0 "[ . 1 . 2]"
1 84 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 ALA 3.668 0.407 13 0 "[ . 1 . 2]"
1 86 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 CYS 3.753 0.410 20 0 "[ . 1 . 2]"
1 89 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 SER 1.456 0.237 17 0 "[ . 1 . 2]"
1 91 CYS 0.051 0.051 16 0 "[ . 1 . 2]"
1 92 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 PHE 1.456 0.237 17 0 "[ . 1 . 2]"
1 94 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 47 ILE HA 1 49 GLU H . . 5.500 3.899 3.608 4.072 . 0 0 "[ . 1 . 2]" 1
2 1 79 VAL H 1 79 VAL MG2 . . 4.000 2.717 1.869 3.707 . 0 0 "[ . 1 . 2]" 1
3 1 30 LEU HG 1 31 ALA H . . 4.800 4.445 3.454 4.958 0.158 18 0 "[ . 1 . 2]" 1
4 1 69 VAL H 1 70 GLU H . . 4.100 2.735 2.563 2.895 . 0 0 "[ . 1 . 2]" 1
5 1 88 CYS QB 1 89 PHE H . . 5.000 3.928 3.249 4.126 . 0 0 "[ . 1 . 2]" 1
6 1 79 VAL MG2 1 80 CYS H . . 4.300 3.821 1.841 4.291 . 0 0 "[ . 1 . 2]" 1
7 1 50 ALA HA 1 53 LEU H . . 4.100 3.641 3.285 3.937 . 0 0 "[ . 1 . 2]" 1
8 1 71 GLU H 1 71 GLU QB . . 3.600 2.217 2.098 2.401 . 0 0 "[ . 1 . 2]" 1
9 1 43 ASP QB 1 44 SER H . . 3.700 3.872 3.694 3.955 0.255 19 0 "[ . 1 . 2]" 1
10 1 30 LEU MD2 1 43 ASP H . . 4.600 4.229 2.453 4.734 0.134 12 0 "[ . 1 . 2]" 1
11 1 73 VAL HA 1 74 LYS H . . 4.800 3.611 3.586 3.633 . 0 0 "[ . 1 . 2]" 1
12 1 48 SER H 1 48 SER QB . . 3.500 2.406 2.109 2.761 . 0 0 "[ . 1 . 2]" 1
13 1 57 LYS H 1 58 PHE H . . 4.100 2.790 2.502 2.953 . 0 0 "[ . 1 . 2]" 1
14 1 31 ALA HA 1 41 PHE H . . 5.500 5.056 4.871 5.223 . 0 0 "[ . 1 . 2]" 1
15 1 29 THR H 1 29 THR HB . . 3.600 2.253 1.952 3.548 . 0 0 "[ . 1 . 2]" 1
16 1 49 GLU HA 1 50 ALA H . . 4.700 3.539 3.510 3.583 . 0 0 "[ . 1 . 2]" 1
17 1 23 ILE MG 1 26 GLU H . . 5.400 4.411 4.107 4.677 . 0 0 "[ . 1 . 2]" 1
18 1 53 LEU H 1 54 ALA H . . 3.700 2.656 2.461 2.810 . 0 0 "[ . 1 . 2]" 1
19 1 56 GLU H 1 57 LYS H . . 4.000 2.583 2.415 2.800 . 0 0 "[ . 1 . 2]" 1
20 1 56 GLU H 1 56 GLU QB . . 3.200 2.206 2.054 2.515 . 0 0 "[ . 1 . 2]" 1
21 1 22 TYR H 1 22 TYR QB . . 3.800 1.970 1.845 2.090 . 0 0 "[ . 1 . 2]" 1
22 1 48 SER H 1 49 GLU H . . 3.800 2.533 2.476 2.673 . 0 0 "[ . 1 . 2]" 1
23 1 32 GLU HA 1 33 CYS H . . 4.200 2.301 2.239 2.357 . 0 0 "[ . 1 . 2]" 1
24 1 25 ILE H 1 25 ILE MG . . 4.400 2.054 1.717 2.519 . 0 0 "[ . 1 . 2]" 1
25 1 34 GLU HA 1 35 VAL H . . 4.900 3.257 3.080 3.363 . 0 0 "[ . 1 . 2]" 1
26 1 63 VAL MG1 1 66 PHE H . . 5.500 4.143 2.100 5.571 0.071 9 0 "[ . 1 . 2]" 1
27 1 36 HIS H 1 37 GLU H . . 5.300 3.960 3.814 4.128 . 0 0 "[ . 1 . 2]" 1
28 1 57 LYS HA 1 60 LYS H . . 4.400 3.603 3.288 3.887 . 0 0 "[ . 1 . 2]" 1
29 1 87 GLU H 1 88 CYS H . . 5.500 4.215 4.032 4.287 . 0 0 "[ . 1 . 2]" 1
30 1 33 CYS H 1 41 PHE QD . . 4.900 3.372 2.924 4.201 . 0 0 "[ . 1 . 2]" 1
31 1 83 LEU H 1 84 GLY H . . 4.000 2.337 2.272 2.611 . 0 0 "[ . 1 . 2]" 1
32 1 58 PHE H 1 58 PHE QB . . 3.600 2.030 1.899 2.098 . 0 0 "[ . 1 . 2]" 1
33 1 31 ALA H 1 40 TYR HA . . 5.500 5.583 5.504 5.696 0.196 19 0 "[ . 1 . 2]" 1
34 1 39 THR MG 1 90 SER H . . 4.400 2.328 1.864 4.109 . 0 0 "[ . 1 . 2]" 1
35 1 24 ALA MB 1 25 ILE H . . 4.100 2.645 2.272 2.883 . 0 0 "[ . 1 . 2]" 1
36 1 72 LEU H 1 73 VAL H . . 4.200 2.738 2.567 2.851 . 0 0 "[ . 1 . 2]" 1
37 1 62 GLU H 1 62 GLU QB . . 3.600 2.527 2.168 2.999 . 0 0 "[ . 1 . 2]" 1
38 1 55 ARG H 1 58 PHE QB . . 5.300 4.766 4.004 5.411 0.111 12 0 "[ . 1 . 2]" 1
39 1 22 TYR H 1 22 TYR QD . . 4.600 2.846 2.594 3.333 . 0 0 "[ . 1 . 2]" 1
40 1 34 GLU H 1 34 GLU QB . . 3.700 2.390 2.184 2.715 . 0 0 "[ . 1 . 2]" 1
41 1 80 CYS QB 1 81 GLU H . . 4.300 2.841 2.408 3.461 . 0 0 "[ . 1 . 2]" 1
42 1 73 VAL H 1 75 LYS H . . 5.500 4.075 3.879 4.303 . 0 0 "[ . 1 . 2]" 1
43 1 38 GLY H 1 39 THR H . . 4.100 2.642 2.272 2.819 . 0 0 "[ . 1 . 2]" 1
44 1 75 LYS H 1 75 LYS QG . . 3.800 3.210 2.341 3.909 0.109 6 0 "[ . 1 . 2]" 1
45 1 42 SER H 1 87 GLU H . . 5.500 4.785 4.502 5.310 . 0 0 "[ . 1 . 2]" 1
46 1 43 ASP H 1 44 SER H . . 4.700 4.266 4.228 4.289 . 0 0 "[ . 1 . 2]" 1
47 1 78 ALA HA 1 81 GLU H . . 4.600 3.520 3.354 3.691 . 0 0 "[ . 1 . 2]" 1
48 1 85 ALA HA 1 87 GLU H . . 5.000 3.670 3.529 4.032 . 0 0 "[ . 1 . 2]" 1
49 1 32 GLU H 1 32 GLU QB . . 3.600 3.184 3.001 3.306 . 0 0 "[ . 1 . 2]" 1
50 1 81 GLU H 1 81 GLU QB . . 3.600 2.202 2.023 2.722 . 0 0 "[ . 1 . 2]" 1
51 1 32 GLU QB 1 33 CYS H . . 4.700 2.942 2.755 3.150 . 0 0 "[ . 1 . 2]" 1
52 1 33 CYS QB 1 35 VAL H . . 4.900 2.669 2.339 2.833 . 0 0 "[ . 1 . 2]" 1
53 1 60 LYS H 1 60 LYS QB . . 3.500 2.275 2.081 2.506 . 0 0 "[ . 1 . 2]" 1
54 1 77 VAL H 1 77 VAL HB . . 3.600 2.335 1.964 3.512 . 0 0 "[ . 1 . 2]" 1
55 1 76 VAL H 1 76 VAL MG1 . . 4.100 3.693 3.647 3.716 . 0 0 "[ . 1 . 2]" 1
56 1 65 ASN H 1 65 ASN HD21 . . 4.300 3.315 2.066 4.277 . 0 0 "[ . 1 . 2]" 1
57 1 54 ALA H 1 55 ARG H . . 3.700 2.576 2.484 2.741 . 0 0 "[ . 1 . 2]" 1
58 1 33 CYS HA 1 35 VAL H . . 5.400 3.512 3.363 3.764 . 0 0 "[ . 1 . 2]" 1
59 1 87 GLU HA 1 88 CYS H . . 3.800 2.410 2.255 2.484 . 0 0 "[ . 1 . 2]" 1
60 1 54 ALA H 1 54 ALA MB . . 3.400 2.069 1.956 2.151 . 0 0 "[ . 1 . 2]" 1
61 1 65 ASN H 1 65 ASN HD22 . . 4.300 4.009 3.515 4.308 0.008 13 0 "[ . 1 . 2]" 1
62 1 54 ALA MB 1 56 GLU H . . 4.600 4.550 4.338 4.725 0.125 11 0 "[ . 1 . 2]" 1
63 1 72 LEU HA 1 73 VAL H . . 4.600 3.633 3.626 3.636 . 0 0 "[ . 1 . 2]" 1
64 1 62 GLU HA 1 63 VAL H . . 4.200 2.442 2.205 2.793 . 0 0 "[ . 1 . 2]" 1
65 1 89 PHE H 1 89 PHE QB . . 3.800 2.187 2.003 2.438 . 0 0 "[ . 1 . 2]" 1
66 1 72 LEU H 1 72 LEU QB . . 3.700 2.084 2.015 2.169 . 0 0 "[ . 1 . 2]" 1
67 1 75 LYS H 1 76 VAL H . . 3.700 2.492 2.408 2.715 . 0 0 "[ . 1 . 2]" 1
68 1 49 GLU H 1 49 GLU QB . . 3.500 2.147 1.999 2.205 . 0 0 "[ . 1 . 2]" 1
69 1 41 PHE QB 1 87 GLU H . . 4.600 2.176 1.877 2.989 . 0 0 "[ . 1 . 2]" 1
70 1 57 LYS H 1 58 PHE QB . . 5.200 4.428 4.084 4.683 . 0 0 "[ . 1 . 2]" 1
71 1 35 VAL MG2 1 36 HIS H . . 5.000 3.192 2.053 3.542 . 0 0 "[ . 1 . 2]" 1
72 1 50 ALA H 1 51 GLU H . . 3.700 2.609 2.471 2.715 . 0 0 "[ . 1 . 2]" 1
73 1 40 TYR QB 1 41 PHE H . . 4.100 2.323 2.205 2.541 . 0 0 "[ . 1 . 2]" 1
74 1 27 ALA H 1 27 ALA MB . . 3.500 2.113 1.988 2.167 . 0 0 "[ . 1 . 2]" 1
75 1 68 ASP H 1 69 VAL H . . 5.500 4.035 2.259 4.667 . 0 0 "[ . 1 . 2]" 1
76 1 75 LYS H 1 75 LYS QD . . 4.300 3.852 2.354 4.348 0.048 6 0 "[ . 1 . 2]" 1
77 1 86 GLU QB 1 87 GLU H . . 4.300 3.852 3.321 4.111 . 0 0 "[ . 1 . 2]" 1
78 1 37 GLU H 1 38 GLY H . . 5.500 4.569 4.512 4.655 . 0 0 "[ . 1 . 2]" 1
79 1 30 LEU H 1 30 LEU MD1 . . 4.700 3.569 2.696 4.365 . 0 0 "[ . 1 . 2]" 1
80 1 22 TYR QB 1 23 ILE H . . 4.600 2.710 2.440 2.857 . 0 0 "[ . 1 . 2]" 1
81 1 70 GLU H 1 72 LEU H . . 4.900 4.188 3.817 4.573 . 0 0 "[ . 1 . 2]" 1
82 1 57 LYS QB 1 58 PHE H . . 3.800 2.592 2.433 2.946 . 0 0 "[ . 1 . 2]" 1
83 1 58 PHE QB 1 59 GLU H . . 4.100 2.859 2.264 3.329 . 0 0 "[ . 1 . 2]" 1
84 1 72 LEU HA 1 75 LYS H . . 4.800 3.292 3.169 3.497 . 0 0 "[ . 1 . 2]" 1
85 1 85 ALA HA 1 86 GLU H . . 3.700 2.222 2.204 2.244 . 0 0 "[ . 1 . 2]" 1
86 1 30 LEU H 1 31 ALA H . . 5.500 4.438 4.397 4.485 . 0 0 "[ . 1 . 2]" 1
87 1 83 LEU HA 1 84 GLY H . . 4.700 3.442 3.208 3.478 . 0 0 "[ . 1 . 2]" 1
88 1 60 LYS HA 1 61 GLY H . . 4.600 3.281 3.102 3.448 . 0 0 "[ . 1 . 2]" 1
89 1 39 THR H 1 39 THR HB . . 3.700 3.136 2.270 3.591 . 0 0 "[ . 1 . 2]" 1
90 1 74 LYS HA 1 76 VAL H . . 4.000 4.067 3.986 4.135 0.135 4 0 "[ . 1 . 2]" 1
91 1 29 THR HB 1 30 LEU H . . 4.000 3.010 2.530 4.082 0.082 9 0 "[ . 1 . 2]" 1
92 1 78 ALA HA 1 80 CYS H . . 5.500 4.543 4.268 4.757 . 0 0 "[ . 1 . 2]" 1
93 1 37 GLU QB 1 38 GLY H . . 4.400 3.399 2.850 3.900 . 0 0 "[ . 1 . 2]" 1
94 1 79 VAL MG1 1 80 CYS H . . 3.800 2.895 1.906 3.955 0.155 1 0 "[ . 1 . 2]" 1
95 1 62 GLU QB 1 63 VAL H . . 4.600 2.974 1.921 4.077 . 0 0 "[ . 1 . 2]" 1
96 1 50 ALA H 1 52 GLU H . . 5.300 4.045 3.763 4.421 . 0 0 "[ . 1 . 2]" 1
97 1 78 ALA MB 1 81 GLU H . . 5.500 4.629 4.451 4.825 . 0 0 "[ . 1 . 2]" 1
98 1 78 ALA H 1 78 ALA MB . . 3.100 2.080 1.933 2.164 . 0 0 "[ . 1 . 2]" 1
99 1 89 PHE H 1 90 SER H . . 4.600 2.661 2.287 3.058 . 0 0 "[ . 1 . 2]" 1
100 1 42 SER QB 1 43 ASP H . . 4.700 2.933 2.702 3.612 . 0 0 "[ . 1 . 2]" 1
101 1 52 GLU HA 1 55 ARG H . . 4.700 3.303 3.130 3.728 . 0 0 "[ . 1 . 2]" 1
102 1 45 GLY QA 1 46 ASP H . . 4.200 2.886 2.866 2.905 . 0 0 "[ . 1 . 2]" 1
103 1 71 GLU HA 1 72 LEU H . . 4.800 3.593 3.542 3.630 . 0 0 "[ . 1 . 2]" 1
104 1 31 ALA H 1 32 GLU H . . 5.500 4.417 4.267 4.460 . 0 0 "[ . 1 . 2]" 1
105 1 41 PHE QD 1 87 GLU H . . 5.500 4.288 4.023 5.101 . 0 0 "[ . 1 . 2]" 1
106 1 49 GLU QB 1 50 ALA H . . 3.800 2.994 2.824 3.541 . 0 0 "[ . 1 . 2]" 1
107 1 21 VAL HB 1 22 TYR H . . 3.800 3.831 3.513 3.979 0.179 9 0 "[ . 1 . 2]" 1
108 1 73 VAL H 1 74 LYS H . . 4.100 2.782 2.636 2.898 . 0 0 "[ . 1 . 2]" 1
109 1 24 ALA H 1 26 GLU H . . 5.400 3.760 3.577 3.966 . 0 0 "[ . 1 . 2]" 1
110 1 36 HIS H 1 39 THR HB . . 5.500 5.186 4.388 5.657 0.157 4 0 "[ . 1 . 2]" 1
111 1 31 ALA H 1 43 ASP QB . . 5.500 5.562 5.522 5.605 0.105 13 0 "[ . 1 . 2]" 1
112 1 78 ALA MB 1 79 VAL H . . 3.800 2.488 2.295 2.779 . 0 0 "[ . 1 . 2]" 1
113 1 70 GLU H 1 70 GLU QB . . 3.500 2.195 2.046 2.409 . 0 0 "[ . 1 . 2]" 1
114 1 66 PHE H 1 66 PHE QD . . 4.200 3.149 1.940 4.196 . 0 0 "[ . 1 . 2]" 1
115 1 39 THR H 1 40 TYR H . . 5.000 4.496 4.389 4.587 . 0 0 "[ . 1 . 2]" 1
116 1 24 ALA H 1 58 PHE QB . . 5.500 5.544 5.274 5.688 0.188 10 0 "[ . 1 . 2]" 1
117 1 52 GLU H 1 52 GLU QB . . 3.100 2.199 2.071 2.396 . 0 0 "[ . 1 . 2]" 1
118 1 34 GLU QB 1 35 VAL H . . 4.700 3.712 3.375 4.076 . 0 0 "[ . 1 . 2]" 1
119 1 55 ARG H 1 56 GLU H . . 4.100 2.687 2.498 2.881 . 0 0 "[ . 1 . 2]" 1
120 1 32 GLU H 1 40 TYR QD . . 5.400 5.107 4.748 5.412 0.012 6 0 "[ . 1 . 2]" 1
121 1 90 SER H 1 91 CYS H . . 3.700 2.704 2.609 2.850 . 0 0 "[ . 1 . 2]" 1
122 1 80 CYS H 1 81 GLU H . . 4.000 2.778 2.668 2.847 . 0 0 "[ . 1 . 2]" 1
123 1 57 LYS H 1 57 LYS QG . . 4.300 3.411 2.334 4.020 . 0 0 "[ . 1 . 2]" 1
124 1 25 ILE H 1 76 VAL MG1 . . 4.200 3.805 3.140 4.222 0.022 18 0 "[ . 1 . 2]" 1
125 1 85 ALA H 1 85 ALA MB . . 3.400 2.439 2.098 2.626 . 0 0 "[ . 1 . 2]" 1
126 1 23 ILE H 1 24 ALA H . . 3.800 2.527 2.418 2.722 . 0 0 "[ . 1 . 2]" 1
127 1 69 VAL H 1 71 GLU H . . 5.000 3.963 3.722 4.382 . 0 0 "[ . 1 . 2]" 1
128 1 42 SER H 1 85 ALA MB . . 5.000 3.452 1.879 3.955 . 0 0 "[ . 1 . 2]" 1
129 1 56 GLU HA 1 59 GLU H . . 4.000 3.332 3.138 3.831 . 0 0 "[ . 1 . 2]" 1
130 1 47 ILE H 1 47 ILE HB . . 3.600 2.391 2.055 3.561 . 0 0 "[ . 1 . 2]" 1
131 1 52 GLU QB 1 53 LEU H . . 3.400 2.624 2.221 3.352 . 0 0 "[ . 1 . 2]" 1
132 1 22 TYR H 1 79 VAL MG2 . . 5.400 4.411 3.965 5.071 . 0 0 "[ . 1 . 2]" 1
133 1 46 ASP QB 1 49 GLU H . . 5.000 2.809 2.408 3.383 . 0 0 "[ . 1 . 2]" 1
134 1 78 ALA HA 1 79 VAL H . . 4.700 3.622 3.561 3.637 . 0 0 "[ . 1 . 2]" 1
135 1 38 GLY H 1 40 TYR QE . . 5.500 2.563 1.945 3.578 . 0 0 "[ . 1 . 2]" 1
136 1 73 VAL HB 1 74 LYS H . . 3.700 3.623 3.369 3.758 0.058 14 0 "[ . 1 . 2]" 1
137 1 73 VAL HA 1 75 LYS H . . 5.400 4.265 4.078 4.796 . 0 0 "[ . 1 . 2]" 1
138 1 37 GLU HA 1 38 GLY H . . 3.400 2.233 2.203 2.327 . 0 0 "[ . 1 . 2]" 1
139 1 31 ALA H 1 41 PHE H . . 4.200 3.518 3.434 3.623 . 0 0 "[ . 1 . 2]" 1
140 1 48 SER HA 1 52 GLU H . . 5.000 4.427 4.167 4.546 . 0 0 "[ . 1 . 2]" 1
141 1 50 ALA MB 1 51 GLU H . . 3.700 2.684 2.412 2.922 . 0 0 "[ . 1 . 2]" 1
142 1 38 GLY QA 1 39 THR H . . 4.200 2.898 2.850 2.980 . 0 0 "[ . 1 . 2]" 1
143 1 72 LEU MD2 1 75 LYS H . . 5.500 4.219 3.677 4.899 . 0 0 "[ . 1 . 2]" 1
144 1 84 GLY QA 1 85 ALA H . . 4.000 2.726 2.608 2.834 . 0 0 "[ . 1 . 2]" 1
145 1 63 VAL H 1 63 VAL HB . . 3.600 3.397 2.206 3.791 0.191 17 0 "[ . 1 . 2]" 1
146 1 47 ILE MG 1 49 GLU H . . 5.500 4.746 4.463 5.279 . 0 0 "[ . 1 . 2]" 1
147 1 81 GLU QB 1 82 GLU H . . 3.200 3.012 2.756 3.377 0.177 15 0 "[ . 1 . 2]" 1
148 1 70 GLU QB 1 71 GLU H . . 4.000 2.960 2.451 3.570 . 0 0 "[ . 1 . 2]" 1
149 1 25 ILE H 1 76 VAL MG2 . . 4.200 3.729 3.135 4.196 . 0 0 "[ . 1 . 2]" 1
150 1 63 VAL HB 1 65 ASN H . . 5.500 3.780 2.479 5.016 . 0 0 "[ . 1 . 2]" 1
151 1 58 PHE QD 1 59 GLU H . . 4.700 3.476 2.674 4.701 0.001 18 0 "[ . 1 . 2]" 1
152 1 41 PHE HA 1 85 ALA H . . 4.200 4.383 4.303 4.607 0.407 13 0 "[ . 1 . 2]" 1
153 1 53 LEU HA 1 56 GLU H . . 4.400 3.381 3.083 3.659 . 0 0 "[ . 1 . 2]" 1
154 1 44 SER H 1 44 SER QB . . 3.800 2.397 2.104 2.785 . 0 0 "[ . 1 . 2]" 1
155 1 79 VAL HB 1 80 CYS H . . 4.800 3.093 2.511 4.031 . 0 0 "[ . 1 . 2]" 1
156 1 77 VAL HA 1 81 GLU H . . 4.800 3.900 3.509 4.231 . 0 0 "[ . 1 . 2]" 1
157 1 40 TYR HA 1 41 PHE H . . 3.700 2.574 2.469 2.618 . 0 0 "[ . 1 . 2]" 1
158 1 41 PHE HA 1 42 SER H . . 4.000 2.196 2.193 2.200 . 0 0 "[ . 1 . 2]" 1
159 1 75 LYS H 1 75 LYS QB . . 3.700 2.166 2.055 2.336 . 0 0 "[ . 1 . 2]" 1
160 1 55 ARG H 1 55 ARG QB . . 3.400 2.102 2.013 2.204 . 0 0 "[ . 1 . 2]" 1
161 1 71 GLU H 1 72 LEU H . . 4.000 2.532 2.429 2.584 . 0 0 "[ . 1 . 2]" 1
162 1 42 SER HA 1 43 ASP H . . 3.700 2.367 2.324 2.403 . 0 0 "[ . 1 . 2]" 1
163 1 63 VAL MG2 1 65 ASN H . . 4.300 3.016 1.766 4.318 0.018 11 0 "[ . 1 . 2]" 1
164 1 51 GLU HA 1 54 ALA H . . 4.700 3.458 3.150 3.700 . 0 0 "[ . 1 . 2]" 1
165 1 34 GLU H 1 35 VAL HB . . 5.500 5.222 4.412 5.621 0.121 14 0 "[ . 1 . 2]" 1
166 1 33 CYS QB 1 34 GLU H . . 5.300 3.562 3.015 3.787 . 0 0 "[ . 1 . 2]" 1
167 1 51 GLU H 1 51 GLU QB . . 3.200 2.245 2.038 2.671 . 0 0 "[ . 1 . 2]" 1
168 1 29 THR MG 1 30 LEU H . . 4.700 2.988 1.976 3.849 . 0 0 "[ . 1 . 2]" 1
169 1 63 VAL MG2 1 66 PHE H . . 3.800 3.252 1.879 3.861 0.061 17 0 "[ . 1 . 2]" 1
170 1 24 ALA HA 1 27 ALA H . . 4.200 3.454 3.069 3.927 . 0 0 "[ . 1 . 2]" 1
171 1 41 PHE H 1 83 LEU MD1 . . 4.600 4.569 4.263 4.645 0.045 18 0 "[ . 1 . 2]" 1
172 1 39 THR MG 1 40 TYR H . . 4.000 3.452 2.961 4.134 0.134 4 0 "[ . 1 . 2]" 1
173 1 35 VAL MG2 1 37 GLU H . . 5.500 5.320 4.654 6.023 0.523 9 1 "[ . +1 . 2]" 1
174 1 89 PHE HA 1 90 SER H . . 4.800 3.528 3.413 3.630 . 0 0 "[ . 1 . 2]" 1
175 1 29 THR HA 1 30 LEU H . . 4.600 3.600 3.532 3.619 . 0 0 "[ . 1 . 2]" 1
176 1 77 VAL MG1 1 78 ALA H . . 3.700 2.404 1.917 3.767 0.067 18 0 "[ . 1 . 2]" 1
177 1 24 ALA H 1 24 ALA MB . . 3.500 2.100 1.939 2.168 . 0 0 "[ . 1 . 2]" 1
178 1 31 ALA H 1 43 ASP H . . 5.500 4.069 3.858 4.234 . 0 0 "[ . 1 . 2]" 1
179 1 77 VAL H 1 77 VAL MG1 . . 3.400 2.499 1.885 3.379 . 0 0 "[ . 1 . 2]" 1
180 1 68 ASP QB 1 71 GLU H . . 4.400 2.507 1.919 4.257 . 0 0 "[ . 1 . 2]" 1
181 1 77 VAL H 1 78 ALA H . . 3.800 2.609 2.434 2.768 . 0 0 "[ . 1 . 2]" 1
182 1 40 TYR H 1 40 TYR QD . . 4.200 3.096 2.596 3.436 . 0 0 "[ . 1 . 2]" 1
183 1 40 TYR H 1 40 TYR QE . . 5.500 5.413 4.974 5.565 0.065 15 0 "[ . 1 . 2]" 1
184 1 26 GLU H 1 26 GLU QB . . 3.400 2.297 2.193 2.375 . 0 0 "[ . 1 . 2]" 1
185 1 68 ASP QB 1 69 VAL H . . 4.800 3.275 2.651 4.022 . 0 0 "[ . 1 . 2]" 1
186 1 22 TYR H 1 25 ILE MD . . 5.400 5.093 4.728 5.461 0.061 11 0 "[ . 1 . 2]" 1
187 1 47 ILE H 1 49 GLU H . . 5.500 3.937 3.801 4.106 . 0 0 "[ . 1 . 2]" 1
188 1 35 VAL HA 1 36 HIS H . . 5.300 3.455 3.388 3.576 . 0 0 "[ . 1 . 2]" 1
189 1 60 LYS QB 1 61 GLY H . . 4.400 3.567 3.237 3.945 . 0 0 "[ . 1 . 2]" 1
190 1 47 ILE HA 1 48 SER H . . 4.200 3.546 3.505 3.589 . 0 0 "[ . 1 . 2]" 1
191 1 41 PHE H 1 42 SER H . . 5.500 3.849 3.732 4.016 . 0 0 "[ . 1 . 2]" 1
192 1 79 VAL H 1 79 VAL HB . . 4.200 2.341 1.967 3.530 . 0 0 "[ . 1 . 2]" 1
193 1 46 ASP HA 1 47 ILE H . . 3.600 2.400 2.384 2.414 . 0 0 "[ . 1 . 2]" 1
194 1 27 ALA MB 1 28 GLY H . . 4.400 3.160 2.879 3.434 . 0 0 "[ . 1 . 2]" 1
195 1 21 VAL MG2 1 24 ALA H . . 5.500 4.605 4.177 4.997 . 0 0 "[ . 1 . 2]" 1
196 1 61 GLY H 1 62 GLU H . . 3.500 3.285 2.375 3.750 0.250 17 0 "[ . 1 . 2]" 1
197 1 74 LYS H 1 76 VAL H . . 5.400 3.890 3.756 4.016 . 0 0 "[ . 1 . 2]" 1
198 1 32 GLU H 1 40 TYR QE . . 5.500 5.495 5.331 5.601 0.101 18 0 "[ . 1 . 2]" 1
199 1 26 GLU QB 1 27 ALA H . . 4.400 3.453 3.079 3.873 . 0 0 "[ . 1 . 2]" 1
200 1 23 ILE MG 1 24 ALA H . . 4.100 2.374 2.022 3.086 . 0 0 "[ . 1 . 2]" 1
201 1 76 VAL H 1 76 VAL MG2 . . 3.400 2.260 2.051 2.568 . 0 0 "[ . 1 . 2]" 1
202 1 41 PHE H 1 83 LEU QB . . 5.500 5.207 5.022 5.534 0.034 18 0 "[ . 1 . 2]" 1
203 1 28 GLY H 1 30 LEU H . . 5.400 3.623 2.795 4.219 . 0 0 "[ . 1 . 2]" 1
204 1 30 LEU QB 1 31 ALA H . . 4.100 2.344 2.182 3.316 . 0 0 "[ . 1 . 2]" 1
205 1 45 GLY H 1 46 ASP H . . 4.300 2.684 2.622 2.746 . 0 0 "[ . 1 . 2]" 1
206 1 20 ALA MB 1 22 TYR H . . 5.400 4.722 4.603 4.869 . 0 0 "[ . 1 . 2]" 1
207 1 54 ALA MB 1 55 ARG H . . 3.600 2.686 2.319 2.819 . 0 0 "[ . 1 . 2]" 1
208 1 29 THR H 1 30 LEU H . . 3.700 2.491 2.122 2.832 . 0 0 "[ . 1 . 2]" 1
209 1 33 CYS HA 1 34 GLU H . . 3.500 2.242 2.220 2.292 . 0 0 "[ . 1 . 2]" 1
210 1 39 THR MG 1 89 PHE H . . 4.300 2.702 2.201 4.294 . 0 0 "[ . 1 . 2]" 1
211 1 72 LEU MD2 1 73 VAL H . . 5.500 3.944 2.462 4.621 . 0 0 "[ . 1 . 2]" 1
212 1 29 THR H 1 53 LEU MD1 . . 4.400 3.732 2.463 4.515 0.115 14 0 "[ . 1 . 2]" 1
213 1 89 PHE HA 1 91 CYS H . . 5.400 3.648 3.278 4.296 . 0 0 "[ . 1 . 2]" 1
214 1 73 VAL MG2 1 74 LYS H . . 4.100 1.921 1.831 2.063 . 0 0 "[ . 1 . 2]" 1
215 1 39 THR H 1 39 THR MG . . 4.400 3.240 2.433 3.604 . 0 0 "[ . 1 . 2]" 1
216 1 91 CYS QB 1 92 ASP H . . 4.300 3.047 2.786 3.227 . 0 0 "[ . 1 . 2]" 1
217 1 25 ILE HA 1 26 GLU H . . 4.700 3.513 3.408 3.570 . 0 0 "[ . 1 . 2]" 1
218 1 55 ARG QB 1 56 GLU H . . 3.700 2.965 2.420 3.498 . 0 0 "[ . 1 . 2]" 1
219 1 48 SER H 1 50 ALA H . . 4.200 4.185 4.100 4.272 0.072 11 0 "[ . 1 . 2]" 1
220 1 33 CYS HA 1 36 HIS H . . 5.500 4.435 4.078 5.018 . 0 0 "[ . 1 . 2]" 1
221 1 55 ARG H 1 76 VAL MG1 . . 4.800 4.664 4.203 4.897 0.097 17 0 "[ . 1 . 2]" 1
222 1 69 VAL MG2 1 70 GLU H . . 3.600 3.443 1.896 3.646 0.046 11 0 "[ . 1 . 2]" 1
223 1 28 GLY QA 1 29 THR H . . 4.600 2.869 2.670 2.989 . 0 0 "[ . 1 . 2]" 1
224 1 23 ILE MG 1 27 ALA H . . 5.200 4.355 4.043 4.777 . 0 0 "[ . 1 . 2]" 1
225 1 47 ILE HB 1 48 SER H . . 4.000 3.316 2.932 4.093 0.093 15 0 "[ . 1 . 2]" 1
226 1 34 GLU H 1 35 VAL MG1 . . 5.300 3.294 2.633 5.127 . 0 0 "[ . 1 . 2]" 1
227 1 63 VAL H 1 63 VAL MG1 . . 3.700 2.695 1.843 3.797 0.097 2 0 "[ . 1 . 2]" 1
228 1 34 GLU H 1 35 VAL H . . 4.000 2.556 2.371 2.633 . 0 0 "[ . 1 . 2]" 1
229 1 65 ASN H 1 66 PHE H . . 4.200 2.731 1.896 4.046 . 0 0 "[ . 1 . 2]" 1
230 1 50 ALA HA 1 51 GLU H . . 4.400 3.602 3.553 3.630 . 0 0 "[ . 1 . 2]" 1
231 1 43 ASP QB 1 45 GLY H . . 5.500 5.473 5.312 5.582 0.082 20 0 "[ . 1 . 2]" 1
232 1 23 ILE H 1 25 ILE H . . 5.500 3.952 3.728 4.348 . 0 0 "[ . 1 . 2]" 1
233 1 25 ILE MD 1 26 GLU H . . 5.200 3.298 2.480 4.147 . 0 0 "[ . 1 . 2]" 1
234 1 74 LYS H 1 74 LYS QD . . 4.700 4.115 2.338 4.508 . 0 0 "[ . 1 . 2]" 1
235 1 41 PHE QE 1 43 ASP H . . 5.500 5.294 4.101 5.571 0.071 7 0 "[ . 1 . 2]" 1
236 1 79 VAL H 1 79 VAL MG1 . . 3.700 3.162 1.905 3.709 0.009 4 0 "[ . 1 . 2]" 1
237 1 30 LEU QB 1 41 PHE H . . 5.000 3.723 3.370 4.664 . 0 0 "[ . 1 . 2]" 1
238 1 56 GLU HA 1 57 LYS H . . 4.900 3.614 3.561 3.641 . 0 0 "[ . 1 . 2]" 1
239 1 59 GLU HA 1 60 LYS H . . 4.200 3.516 3.389 3.598 . 0 0 "[ . 1 . 2]" 1
240 1 51 GLU H 1 52 GLU H . . 3.800 2.617 2.472 2.862 . 0 0 "[ . 1 . 2]" 1
241 1 71 GLU QB 1 72 LEU H . . 4.300 2.674 2.451 2.934 . 0 0 "[ . 1 . 2]" 1
242 1 67 ASP QB 1 68 ASP H . . 4.100 2.747 1.927 3.948 . 0 0 "[ . 1 . 2]" 1
243 1 59 GLU H 1 60 LYS H . . 4.100 2.622 2.489 2.780 . 0 0 "[ . 1 . 2]" 1
244 1 57 LYS H 1 59 GLU H . . 4.800 4.011 3.844 4.308 . 0 0 "[ . 1 . 2]" 1
245 1 21 VAL MG2 1 22 TYR H . . 4.900 2.813 1.763 3.687 . 0 0 "[ . 1 . 2]" 1
246 1 85 ALA H 1 86 GLU H . . 5.400 4.371 4.235 4.473 . 0 0 "[ . 1 . 2]" 1
247 1 33 CYS QB 1 36 HIS H . . 4.000 2.321 1.873 2.801 . 0 0 "[ . 1 . 2]" 1
248 1 52 GLU H 1 53 LEU H . . 4.100 2.727 2.504 2.940 . 0 0 "[ . 1 . 2]" 1
249 1 77 VAL HA 1 80 CYS H . . 3.700 3.309 3.042 3.599 . 0 0 "[ . 1 . 2]" 1
250 1 41 PHE QE 1 88 CYS H . . 5.500 5.526 5.429 5.671 0.171 13 0 "[ . 1 . 2]" 1
251 1 30 LEU H 1 43 ASP H . . 5.500 5.362 4.875 5.622 0.122 16 0 "[ . 1 . 2]" 1
252 1 85 ALA MB 1 86 GLU H . . 4.200 3.172 3.060 3.546 . 0 0 "[ . 1 . 2]" 1
253 1 48 SER HA 1 51 GLU H . . 4.000 3.184 3.037 3.315 . 0 0 "[ . 1 . 2]" 1
254 1 68 ASP HA 1 69 VAL H . . 3.400 2.496 2.253 3.170 . 0 0 "[ . 1 . 2]" 1
255 1 23 ILE H 1 23 ILE MD . . 4.100 4.086 3.601 4.400 0.300 1 0 "[ . 1 . 2]" 1
256 1 59 GLU QB 1 60 LYS H . . 3.800 3.107 2.724 3.744 . 0 0 "[ . 1 . 2]" 1
257 1 58 PHE QD 1 60 LYS H . . 5.500 4.870 4.423 5.589 0.089 18 0 "[ . 1 . 2]" 1
258 1 23 ILE HA 1 24 ALA H . . 5.300 3.601 3.559 3.632 . 0 0 "[ . 1 . 2]" 1
259 1 31 ALA HA 1 32 GLU H . . 3.600 2.337 2.224 2.484 . 0 0 "[ . 1 . 2]" 1
260 1 30 LEU HA 1 31 ALA H . . 3.700 2.557 2.271 2.609 . 0 0 "[ . 1 . 2]" 1
261 1 53 LEU HA 1 54 ALA H . . 4.600 3.576 3.522 3.630 . 0 0 "[ . 1 . 2]" 1
262 1 30 LEU MD2 1 42 SER H . . 5.300 4.519 2.822 5.373 0.073 12 0 "[ . 1 . 2]" 1
263 1 83 LEU QB 1 84 GLY H . . 4.900 3.225 3.137 3.626 . 0 0 "[ . 1 . 2]" 1
264 1 24 ALA HA 1 25 ILE H . . 4.800 3.596 3.565 3.638 . 0 0 "[ . 1 . 2]" 1
265 1 74 LYS HA 1 77 VAL H . . 4.400 3.446 3.155 3.639 . 0 0 "[ . 1 . 2]" 1
266 1 93 PHE HA 1 94 ASP H . . 5.000 2.238 2.193 2.388 . 0 0 "[ . 1 . 2]" 1
267 1 68 ASP HA 1 71 GLU H . . 5.500 4.089 3.036 4.541 . 0 0 "[ . 1 . 2]" 1
268 1 60 LYS H 1 60 LYS QD . . 4.200 4.024 3.548 4.323 0.123 1 0 "[ . 1 . 2]" 1
269 1 36 HIS HA 1 37 GLU H . . 3.400 2.231 2.186 2.272 . 0 0 "[ . 1 . 2]" 1
270 1 91 CYS HA 1 92 ASP H . . 4.100 3.526 3.465 3.605 . 0 0 "[ . 1 . 2]" 1
271 1 73 VAL H 1 73 VAL MG1 . . 3.400 2.199 1.910 2.446 . 0 0 "[ . 1 . 2]" 1
272 1 28 GLY H 1 53 LEU MD1 . . 5.000 4.704 3.346 5.162 0.162 18 0 "[ . 1 . 2]" 1
273 1 72 LEU QB 1 73 VAL H . . 3.800 2.459 2.359 2.625 . 0 0 "[ . 1 . 2]" 1
274 1 70 GLU H 1 71 GLU H . . 3.700 2.682 2.513 2.945 . 0 0 "[ . 1 . 2]" 1
275 1 50 ALA H 1 53 LEU MD1 . . 4.700 4.582 3.959 5.033 0.333 20 0 "[ . 1 . 2]" 1
276 1 70 GLU HA 1 74 LYS H . . 4.700 3.863 3.667 4.214 . 0 0 "[ . 1 . 2]" 1
277 1 41 PHE QD 1 88 CYS H . . 5.500 4.188 3.876 4.418 . 0 0 "[ . 1 . 2]" 1
278 1 31 ALA H 1 40 TYR QD . . 5.400 5.029 4.749 5.428 0.028 13 0 "[ . 1 . 2]" 1
279 1 33 CYS QB 1 39 THR H . . 5.000 4.689 4.187 5.075 0.075 7 0 "[ . 1 . 2]" 1
280 1 37 GLU H 1 37 GLU QB . . 3.400 2.285 2.145 2.668 . 0 0 "[ . 1 . 2]" 1
281 1 30 LEU QB 1 43 ASP H . . 5.500 3.472 2.957 5.146 . 0 0 "[ . 1 . 2]" 1
282 1 79 VAL H 1 80 CYS H . . 3.800 2.657 2.460 2.800 . 0 0 "[ . 1 . 2]" 1
283 1 47 ILE H 1 48 SER H . . 4.100 2.470 2.444 2.500 . 0 0 "[ . 1 . 2]" 1
284 1 76 VAL HA 1 79 VAL H . . 4.800 3.486 3.169 3.694 . 0 0 "[ . 1 . 2]" 1
285 1 87 GLU QB 1 88 CYS H . . 4.300 2.882 2.507 3.510 . 0 0 "[ . 1 . 2]" 1
286 1 86 GLU HA 1 87 GLU H . . 4.400 3.112 2.953 3.632 . 0 0 "[ . 1 . 2]" 1
287 1 81 GLU HA 1 82 GLU H . . 3.600 3.552 3.531 3.600 . 0 0 "[ . 1 . 2]" 1
288 1 22 TYR HA 1 25 ILE H . . 4.400 3.479 3.331 3.594 . 0 0 "[ . 1 . 2]" 1
289 1 51 GLU HA 1 52 GLU H . . 4.800 3.598 3.543 3.638 . 0 0 "[ . 1 . 2]" 1
290 1 63 VAL HA 1 65 ASN H . . 5.200 4.148 2.892 5.128 . 0 0 "[ . 1 . 2]" 1
291 1 55 ARG H 1 73 VAL MG1 . . 4.400 2.804 2.451 3.127 . 0 0 "[ . 1 . 2]" 1
292 1 43 ASP HA 1 44 SER H . . 4.700 2.307 2.296 2.324 . 0 0 "[ . 1 . 2]" 1
293 1 31 ALA MB 1 32 GLU H . . 3.600 2.784 2.454 3.073 . 0 0 "[ . 1 . 2]" 1
294 1 74 LYS H 1 74 LYS QB . . 3.400 2.146 2.021 2.276 . 0 0 "[ . 1 . 2]" 1
295 1 41 PHE HA 1 87 GLU H . . 5.500 2.791 2.494 3.392 . 0 0 "[ . 1 . 2]" 1
296 1 74 LYS H 1 74 LYS QG . . 4.000 3.535 2.398 4.006 0.006 9 0 "[ . 1 . 2]" 1
297 1 92 ASP H 1 93 PHE H . . 4.800 2.261 1.903 2.753 . 0 0 "[ . 1 . 2]" 1
298 1 30 LEU H 1 30 LEU HG . . 4.200 2.401 1.902 4.289 0.089 5 0 "[ . 1 . 2]" 1
299 1 72 LEU H 1 74 LYS H . . 5.500 4.014 3.725 4.232 . 0 0 "[ . 1 . 2]" 1
300 1 49 GLU H 1 50 ALA H . . 3.800 2.684 2.566 2.714 . 0 0 "[ . 1 . 2]" 1
301 1 32 GLU QB 1 38 GLY H . . 4.900 4.859 4.573 5.066 0.166 13 0 "[ . 1 . 2]" 1
302 1 74 LYS HA 1 75 LYS H . . 4.600 3.585 3.552 3.630 . 0 0 "[ . 1 . 2]" 1
303 1 88 CYS H 1 89 PHE H . . 5.500 4.059 3.798 4.444 . 0 0 "[ . 1 . 2]" 1
304 1 56 GLU QB 1 57 LYS H . . 3.800 2.617 2.301 3.588 . 0 0 "[ . 1 . 2]" 1
305 1 39 THR HA 1 40 TYR H . . 3.500 2.163 2.149 2.197 . 0 0 "[ . 1 . 2]" 1
306 1 22 TYR HA 1 26 GLU H . . 4.800 3.981 3.830 4.191 . 0 0 "[ . 1 . 2]" 1
307 1 63 VAL HB 1 66 PHE H . . 5.500 4.281 2.213 5.546 0.046 15 0 "[ . 1 . 2]" 1
308 1 61 GLY QA 1 62 GLU H . . 4.100 2.305 2.169 2.524 . 0 0 "[ . 1 . 2]" 1
309 1 57 LYS H 1 57 LYS QB . . 3.400 2.145 2.042 2.294 . 0 0 "[ . 1 . 2]" 1
310 1 48 SER HA 1 49 GLU H . . 4.900 3.529 3.512 3.577 . 0 0 "[ . 1 . 2]" 1
311 1 28 GLY H 1 29 THR H . . 4.000 1.861 1.768 2.062 . 0 0 "[ . 1 . 2]" 1
312 1 25 ILE MD 1 29 THR H . . 5.200 5.066 4.571 5.358 0.158 18 0 "[ . 1 . 2]" 1
313 1 79 VAL H 1 81 GLU H . . 5.500 4.169 3.912 4.363 . 0 0 "[ . 1 . 2]" 1
314 1 72 LEU HA 1 74 LYS H . . 5.200 4.471 4.292 4.714 . 0 0 "[ . 1 . 2]" 1
315 1 22 TYR QD 1 23 ILE H . . 5.500 4.567 4.451 4.670 . 0 0 "[ . 1 . 2]" 1
316 1 25 ILE MG 1 26 GLU H . . 4.200 3.430 2.278 4.062 . 0 0 "[ . 1 . 2]" 1
317 1 35 VAL H 1 35 VAL HB . . 3.700 3.369 3.100 3.668 . 0 0 "[ . 1 . 2]" 1
318 1 92 ASP HA 1 93 PHE H . . 4.100 3.328 3.060 3.430 . 0 0 "[ . 1 . 2]" 1
319 1 90 SER QB 1 93 PHE H . . 4.100 4.137 3.891 4.337 0.237 17 0 "[ . 1 . 2]" 1
320 1 23 ILE H 1 23 ILE HB . . 3.700 2.102 2.002 2.275 . 0 0 "[ . 1 . 2]" 1
321 1 51 GLU H 1 76 VAL MG1 . . 4.700 3.757 2.761 4.420 . 0 0 "[ . 1 . 2]" 1
322 1 25 ILE MD 1 30 LEU H . . 4.700 4.209 3.779 4.690 . 0 0 "[ . 1 . 2]" 1
323 1 58 PHE H 1 60 LYS H . . 5.500 3.965 3.721 4.245 . 0 0 "[ . 1 . 2]" 1
324 1 50 ALA H 1 50 ALA MB . . 3.500 2.018 1.944 2.173 . 0 0 "[ . 1 . 2]" 1
325 1 23 ILE HB 1 24 ALA H . . 4.000 3.302 2.913 3.863 . 0 0 "[ . 1 . 2]" 1
326 1 30 LEU MD1 1 31 ALA H . . 4.900 3.777 2.931 4.684 . 0 0 "[ . 1 . 2]" 1
327 1 35 VAL H 1 35 VAL MG1 . . 4.000 2.151 1.766 3.604 . 0 0 "[ . 1 . 2]" 1
328 1 78 ALA H 1 79 VAL H . . 4.000 2.716 2.573 2.877 . 0 0 "[ . 1 . 2]" 1
329 1 63 VAL H 1 63 VAL MG2 . . 4.400 2.811 1.935 4.009 . 0 0 "[ . 1 . 2]" 1
330 1 42 SER H 1 42 SER QB . . 3.700 2.533 2.239 2.875 . 0 0 "[ . 1 . 2]" 1
331 1 53 LEU HA 1 57 LYS H . . 5.200 3.855 3.492 4.219 . 0 0 "[ . 1 . 2]" 1
332 1 33 CYS H 1 41 PHE QE . . 5.200 3.633 2.982 5.191 . 0 0 "[ . 1 . 2]" 1
333 1 35 VAL H 1 35 VAL MG2 . . 4.800 3.040 1.807 3.691 . 0 0 "[ . 1 . 2]" 1
334 1 89 PHE H 1 91 CYS H . . 5.500 4.238 3.859 4.728 . 0 0 "[ . 1 . 2]" 1
335 1 65 ASN HA 1 66 PHE H . . 4.400 3.238 2.272 3.652 . 0 0 "[ . 1 . 2]" 1
336 1 21 VAL MG1 1 22 TYR H . . 4.100 2.415 1.771 3.818 . 0 0 "[ . 1 . 2]" 1
337 1 33 CYS H 1 40 TYR HA . . 4.700 3.367 3.189 3.640 . 0 0 "[ . 1 . 2]" 1
338 1 58 PHE H 1 58 PHE QD . . 4.600 3.568 2.826 4.069 . 0 0 "[ . 1 . 2]" 1
339 1 86 GLU H 1 87 GLU H . . 4.300 2.038 1.832 2.300 . 0 0 "[ . 1 . 2]" 1
340 1 74 LYS QD 1 75 LYS H . . 4.600 4.076 2.684 4.692 0.092 5 0 "[ . 1 . 2]" 1
341 1 91 CYS H 1 91 CYS QB . . 3.600 2.125 2.043 2.218 . 0 0 "[ . 1 . 2]" 1
342 1 22 TYR HA 1 23 ILE H . . 4.400 3.574 3.534 3.623 . 0 0 "[ . 1 . 2]" 1
343 1 23 ILE H 1 23 ILE MG . . 3.800 3.004 2.381 3.517 . 0 0 "[ . 1 . 2]" 1
344 1 58 PHE H 1 59 GLU H . . 3.800 2.596 2.459 2.876 . 0 0 "[ . 1 . 2]" 1
345 1 89 PHE QB 1 90 SER H . . 4.600 2.997 2.286 3.739 . 0 0 "[ . 1 . 2]" 1
346 1 72 LEU MD2 1 76 VAL H . . 5.500 4.240 3.315 5.505 0.005 9 0 "[ . 1 . 2]" 1
347 1 81 GLU HA 1 83 LEU H . . 4.300 3.760 3.663 3.874 . 0 0 "[ . 1 . 2]" 1
348 1 31 ALA H 1 40 TYR QB . . 5.500 5.153 4.739 5.506 0.006 4 0 "[ . 1 . 2]" 1
349 1 22 TYR HA 1 24 ALA H . . 5.500 4.527 4.220 4.782 . 0 0 "[ . 1 . 2]" 1
350 1 53 LEU QB 1 54 ALA H . . 4.200 3.012 2.557 3.675 . 0 0 "[ . 1 . 2]" 1
351 1 58 PHE QD 1 63 VAL H . . 5.400 4.638 3.381 5.422 0.022 17 0 "[ . 1 . 2]" 1
352 1 22 TYR H 1 79 VAL MG1 . . 5.200 4.592 3.922 4.971 . 0 0 "[ . 1 . 2]" 1
353 1 24 ALA H 1 25 ILE H . . 4.000 2.672 2.548 2.884 . 0 0 "[ . 1 . 2]" 1
354 1 33 CYS H 1 39 THR HB . . 4.900 3.849 3.535 4.947 0.047 16 0 "[ . 1 . 2]" 1
355 1 25 ILE H 1 25 ILE HB . . 3.700 3.386 2.819 3.620 . 0 0 "[ . 1 . 2]" 1
356 1 88 CYS HA 1 89 PHE H . . 3.500 2.316 2.221 2.408 . 0 0 "[ . 1 . 2]" 1
357 1 76 VAL MG1 1 77 VAL H . . 4.600 3.299 2.993 3.709 . 0 0 "[ . 1 . 2]" 1
358 1 36 HIS QB 1 37 GLU H . . 4.700 3.667 3.424 3.768 . 0 0 "[ . 1 . 2]" 1
359 1 26 GLU H 1 27 ALA MB . . 4.800 3.881 3.680 4.128 . 0 0 "[ . 1 . 2]" 1
360 1 75 LYS HA 1 77 VAL H . . 5.200 4.669 4.288 4.936 . 0 0 "[ . 1 . 2]" 1
361 1 64 SER QB 1 65 ASN H . . 4.200 3.195 2.083 4.090 . 0 0 "[ . 1 . 2]" 1
362 1 40 TYR QD 1 41 PHE H . . 4.300 3.432 3.182 3.791 . 0 0 "[ . 1 . 2]" 1
363 1 46 ASP HA 1 48 SER H . . 4.700 3.365 3.225 3.545 . 0 0 "[ . 1 . 2]" 1
364 1 77 VAL HA 1 78 ALA H . . 4.700 3.576 3.563 3.608 . 0 0 "[ . 1 . 2]" 1
365 1 73 VAL HA 1 77 VAL H . . 4.400 4.060 3.783 4.234 . 0 0 "[ . 1 . 2]" 1
366 1 27 ALA H 1 29 THR H . . 5.200 3.578 3.066 4.336 . 0 0 "[ . 1 . 2]" 1
367 1 55 ARG HA 1 56 GLU H . . 4.600 3.597 3.531 3.628 . 0 0 "[ . 1 . 2]" 1
368 1 50 ALA H 1 76 VAL MG1 . . 5.500 5.015 4.169 5.468 . 0 0 "[ . 1 . 2]" 1
369 1 41 PHE QD 1 42 SER H . . 4.800 4.169 3.303 4.411 . 0 0 "[ . 1 . 2]" 1
370 1 84 GLY H 1 85 ALA H . . 4.400 3.128 3.014 3.259 . 0 0 "[ . 1 . 2]" 1
371 1 47 ILE HA 1 50 ALA H . . 4.400 3.578 3.283 3.715 . 0 0 "[ . 1 . 2]" 1
372 1 72 LEU H 1 72 LEU MD2 . . 5.000 3.593 2.224 4.090 . 0 0 "[ . 1 . 2]" 1
373 1 42 SER H 1 85 ALA H . . 4.800 4.289 4.158 4.423 . 0 0 "[ . 1 . 2]" 1
374 1 21 VAL MG2 1 25 ILE H . . 5.500 4.177 3.631 4.973 . 0 0 "[ . 1 . 2]" 1
375 1 63 VAL MG1 1 65 ASN H . . 5.500 3.995 1.906 5.493 . 0 0 "[ . 1 . 2]" 1
376 1 35 VAL MG1 1 36 HIS H . . 5.000 3.201 2.096 4.478 . 0 0 "[ . 1 . 2]" 1
377 1 90 SER QB 1 91 CYS H . . 4.700 3.102 2.574 3.799 . 0 0 "[ . 1 . 2]" 1
378 1 23 ILE HA 1 26 GLU H . . 4.700 3.065 2.732 3.347 . 0 0 "[ . 1 . 2]" 1
379 1 26 GLU HA 1 28 GLY H . . 4.800 3.216 2.968 3.653 . 0 0 "[ . 1 . 2]" 1
380 1 41 PHE QB 1 42 SER H . . 3.600 3.546 3.453 3.623 0.023 1 0 "[ . 1 . 2]" 1
381 1 70 GLU HA 1 73 VAL H . . 4.000 3.678 3.520 3.835 . 0 0 "[ . 1 . 2]" 1
382 1 23 ILE HA 1 26 GLU QB . . 4.100 2.268 1.919 3.409 . 0 0 "[ . 1 . 2]" 1
383 1 83 LEU H 1 83 LEU MD1 . . 5.300 4.136 3.988 4.424 . 0 0 "[ . 1 . 2]" 1
384 1 50 ALA HA 1 53 LEU MD1 . . 4.900 2.585 1.757 3.417 . 0 0 "[ . 1 . 2]" 1
385 1 23 ILE HB 1 23 ILE MD . . 3.500 3.021 2.266 3.211 . 0 0 "[ . 1 . 2]" 1
386 1 47 ILE H 1 47 ILE MG . . 4.700 3.309 2.273 3.610 . 0 0 "[ . 1 . 2]" 1
387 1 30 LEU MD2 1 42 SER QB . . 4.800 2.279 1.749 3.388 . 0 0 "[ . 1 . 2]" 1
388 1 69 VAL MG1 1 70 GLU QB . . 4.400 3.497 2.748 4.541 0.141 3 0 "[ . 1 . 2]" 1
389 1 54 ALA MB 1 73 VAL MG1 . . 4.800 3.189 2.528 3.672 . 0 0 "[ . 1 . 2]" 1
390 1 23 ILE MG 1 27 ALA MB . . 3.400 3.281 2.710 3.438 0.038 11 0 "[ . 1 . 2]" 1
391 1 26 GLU HA 1 29 THR H . . 5.500 3.922 3.542 4.450 . 0 0 "[ . 1 . 2]" 1
392 1 54 ALA H 1 73 VAL MG1 . . 4.400 4.438 4.134 4.534 0.134 17 0 "[ . 1 . 2]" 1
393 1 47 ILE MD 1 77 VAL HA . . 4.400 4.422 4.297 4.468 0.068 20 0 "[ . 1 . 2]" 1
394 1 23 ILE MG 1 24 ALA HA . . 3.700 2.947 2.832 3.198 . 0 0 "[ . 1 . 2]" 1
395 1 69 VAL HA 1 73 VAL MG1 . . 3.800 3.784 3.429 3.889 0.089 14 0 "[ . 1 . 2]" 1
396 1 54 ALA MB 1 72 LEU MD1 . . 3.800 3.634 2.839 4.055 0.255 10 0 "[ . 1 . 2]" 1
397 1 21 VAL MG2 1 25 ILE MD . . 4.300 4.324 4.029 4.465 0.165 19 0 "[ . 1 . 2]" 1
398 1 50 ALA MB 1 77 VAL HA . . 5.200 3.527 2.284 4.332 . 0 0 "[ . 1 . 2]" 1
399 1 25 ILE MD 1 40 TYR QE . . 4.300 4.011 3.692 4.317 0.017 8 0 "[ . 1 . 2]" 1
400 1 47 ILE H 1 47 ILE MD . . 4.700 4.072 3.731 4.272 . 0 0 "[ . 1 . 2]" 1
401 1 20 ALA MB 1 72 LEU MD2 . . 5.000 3.707 2.218 5.053 0.053 10 0 "[ . 1 . 2]" 1
402 1 25 ILE MD 1 79 VAL MG1 . . 3.700 2.459 1.751 3.732 0.032 1 0 "[ . 1 . 2]" 1
403 1 47 ILE MG 1 80 CYS QB . . 4.600 3.863 3.134 4.585 . 0 0 "[ . 1 . 2]" 1
404 1 23 ILE HA 1 27 ALA MB . . 5.400 4.433 3.969 4.871 . 0 0 "[ . 1 . 2]" 1
405 1 47 ILE MD 1 80 CYS QB . . 4.200 3.375 2.664 4.263 0.063 7 0 "[ . 1 . 2]" 1
406 1 50 ALA MB 1 76 VAL MG1 . . 3.700 2.601 1.907 2.889 . 0 0 "[ . 1 . 2]" 1
407 1 41 PHE HA 1 85 ALA MB . . 5.200 2.542 2.216 2.862 . 0 0 "[ . 1 . 2]" 1
408 1 23 ILE HA 1 23 ILE MG . . 3.700 2.965 2.689 3.182 . 0 0 "[ . 1 . 2]" 1
409 1 29 THR MG 1 30 LEU MD1 . . 3.800 3.545 1.711 3.916 0.116 4 0 "[ . 1 . 2]" 1
410 1 72 LEU MD1 1 75 LYS QB . . 4.700 4.375 3.581 4.949 0.249 17 0 "[ . 1 . 2]" 1
411 1 39 THR MG 1 88 CYS HA . . 5.000 2.127 1.770 3.117 . 0 0 "[ . 1 . 2]" 1
412 1 21 VAL MG1 1 24 ALA MB . . 5.200 4.515 3.907 4.959 . 0 0 "[ . 1 . 2]" 1
413 1 47 ILE MG 1 81 GLU HA . . 4.700 4.776 4.704 4.840 0.140 14 0 "[ . 1 . 2]" 1
414 1 78 ALA MB 1 79 VAL MG1 . . 4.700 4.539 2.797 4.936 0.236 9 0 "[ . 1 . 2]" 1
415 1 73 VAL HA 1 73 VAL MG2 . . 3.600 3.206 3.181 3.220 . 0 0 "[ . 1 . 2]" 1
416 1 58 PHE HA 1 72 LEU MD1 . . 4.600 4.424 3.712 4.717 0.117 6 0 "[ . 1 . 2]" 1
417 1 50 ALA MB 1 76 VAL HB . . 4.800 4.559 4.041 4.825 0.025 1 0 "[ . 1 . 2]" 1
418 1 21 VAL MG1 1 79 VAL MG1 . . 4.600 3.958 2.379 4.686 0.086 17 0 "[ . 1 . 2]" 1
419 1 72 LEU QB 1 76 VAL MG2 . . 4.200 3.642 3.169 4.214 0.014 3 0 "[ . 1 . 2]" 1
420 1 53 LEU MD1 1 54 ALA H . . 4.400 3.529 1.995 4.562 0.162 5 0 "[ . 1 . 2]" 1
421 1 23 ILE MD 1 24 ALA H . . 5.400 4.463 3.938 4.945 . 0 0 "[ . 1 . 2]" 1
422 1 25 ILE MD 1 83 LEU MD2 . . 4.200 4.075 3.387 4.247 0.047 14 0 "[ . 1 . 2]" 1
423 1 76 VAL MG2 1 77 VAL H . . 3.800 3.859 3.783 3.941 0.141 3 0 "[ . 1 . 2]" 1
424 1 29 THR MG 1 50 ALA MB . . 4.100 1.846 1.650 3.262 . 0 0 "[ . 1 . 2]" 1
425 1 47 ILE MD 1 81 GLU HA . . 4.700 3.887 3.267 4.792 0.092 11 0 "[ . 1 . 2]" 1
426 1 48 SER HA 1 51 GLU QB . . 4.700 3.190 2.472 4.211 . 0 0 "[ . 1 . 2]" 1
427 1 76 VAL HA 1 79 VAL MG1 . . 4.100 3.554 1.921 4.228 0.128 12 0 "[ . 1 . 2]" 1
428 1 69 VAL MG1 1 70 GLU H . . 4.100 2.271 1.785 3.449 . 0 0 "[ . 1 . 2]" 1
429 1 30 LEU MD2 1 80 CYS HA . . 4.100 2.727 2.026 3.729 . 0 0 "[ . 1 . 2]" 1
430 1 36 HIS HE1 1 91 CYS HA . . 4.100 3.678 2.621 4.151 0.051 16 0 "[ . 1 . 2]" 1
431 1 51 GLU QB 1 73 VAL MG1 . . 4.300 3.292 2.189 4.251 . 0 0 "[ . 1 . 2]" 1
432 1 63 VAL MG1 1 72 LEU MD1 . . 3.000 2.962 1.885 3.286 0.286 6 0 "[ . 1 . 2]" 1
433 1 25 ILE H 1 25 ILE MD . . 4.800 3.674 3.008 3.998 . 0 0 "[ . 1 . 2]" 1
434 1 23 ILE QG 1 23 ILE MG . . 2.800 2.330 2.149 2.656 . 0 0 "[ . 1 . 2]" 1
435 1 39 THR MG 1 40 TYR QB . . 5.500 5.140 4.620 5.580 0.080 4 0 "[ . 1 . 2]" 1
436 1 72 LEU HA 1 72 LEU MD1 . . 4.000 3.312 2.521 3.803 . 0 0 "[ . 1 . 2]" 1
437 1 36 HIS HA 1 39 THR H . . 5.400 4.988 4.419 5.511 0.111 20 0 "[ . 1 . 2]" 1
438 1 78 ALA MB 1 79 VAL MG2 . . 5.200 3.585 2.730 4.825 . 0 0 "[ . 1 . 2]" 1
439 1 39 THR MG 1 40 TYR QD . . 5.500 4.834 4.295 5.183 . 0 0 "[ . 1 . 2]" 1
440 1 72 LEU H 1 72 LEU MD1 . . 4.200 4.262 3.999 4.357 0.157 5 0 "[ . 1 . 2]" 1
441 1 54 ALA MB 1 76 VAL MG2 . . 3.500 1.902 1.600 2.263 . 0 0 "[ . 1 . 2]" 1
442 1 23 ILE MD 1 27 ALA MB . . 4.100 3.763 2.352 4.161 0.061 10 0 "[ . 1 . 2]" 1
443 1 21 VAL MG1 1 79 VAL MG2 . . 3.600 3.084 2.064 3.847 0.247 11 0 "[ . 1 . 2]" 1
444 1 58 PHE QE 1 72 LEU MD1 . . 4.200 2.911 1.931 4.191 . 0 0 "[ . 1 . 2]" 1
445 1 30 LEU MD1 1 83 LEU HG . . 4.300 3.860 2.935 4.402 0.102 18 0 "[ . 1 . 2]" 1
446 1 24 ALA H 1 76 VAL MG2 . . 4.400 4.371 3.599 4.496 0.096 1 0 "[ . 1 . 2]" 1
447 1 30 LEU HA 1 31 ALA MB . . 4.800 3.823 3.752 3.858 . 0 0 "[ . 1 . 2]" 1
448 1 30 LEU MD2 1 42 SER HA . . 4.100 3.325 1.910 3.915 . 0 0 "[ . 1 . 2]" 1
449 1 29 THR MG 1 80 CYS QB . . 4.700 3.443 2.092 4.726 0.026 9 0 "[ . 1 . 2]" 1
450 1 47 ILE HA 1 47 ILE MD . . 4.300 2.801 2.340 4.063 . 0 0 "[ . 1 . 2]" 1
451 1 47 ILE MG 1 48 SER H . . 4.800 3.426 3.102 4.170 . 0 0 "[ . 1 . 2]" 1
452 1 20 ALA MB 1 21 VAL MG1 . . 5.300 3.554 2.722 4.167 . 0 0 "[ . 1 . 2]" 1
453 1 30 LEU MD2 1 83 LEU QB . . 4.900 3.870 2.591 4.916 0.016 17 0 "[ . 1 . 2]" 1
454 1 41 PHE QB 1 85 ALA MB . . 4.900 3.648 3.562 3.763 . 0 0 "[ . 1 . 2]" 1
455 1 25 ILE MD 1 40 TYR QD . . 4.400 4.343 4.016 4.483 0.083 20 0 "[ . 1 . 2]" 1
456 1 30 LEU MD1 1 80 CYS HA . . 4.400 3.060 1.855 4.442 0.042 3 0 "[ . 1 . 2]" 1
457 1 69 VAL HA 1 72 LEU H . . 4.400 3.264 3.135 3.513 . 0 0 "[ . 1 . 2]" 1
458 1 24 ALA MB 1 26 GLU H . . 4.400 4.315 3.974 4.474 0.074 1 0 "[ . 1 . 2]" 1
459 1 22 TYR QE 1 79 VAL MG2 . . 4.800 2.952 1.774 4.564 . 0 0 "[ . 1 . 2]" 1
460 1 35 VAL HB 1 36 HIS HE1 . . 5.400 4.318 2.730 5.310 . 0 0 "[ . 1 . 2]" 1
461 1 36 HIS HE1 1 88 CYS QB . . 5.000 5.124 4.659 5.410 0.410 20 0 "[ . 1 . 2]" 1
462 1 36 HIS HA 1 36 HIS HD2 . . 4.600 4.248 3.533 4.725 0.125 7 0 "[ . 1 . 2]" 1
463 1 35 VAL MG2 1 36 HIS HD2 . . 5.400 3.737 1.911 5.406 0.006 7 0 "[ . 1 . 2]" 1
464 1 40 TYR QE 1 83 LEU MD1 . . 4.400 3.096 2.496 3.498 . 0 0 "[ . 1 . 2]" 1
465 1 24 ALA MB 1 58 PHE QD . . 4.800 3.186 1.764 4.214 . 0 0 "[ . 1 . 2]" 1
466 1 36 HIS HD2 1 88 CYS QB . . 5.500 4.571 1.933 5.536 0.036 20 0 "[ . 1 . 2]" 1
467 1 58 PHE QD 1 76 VAL MG2 . . 4.100 4.112 3.472 4.349 0.249 6 0 "[ . 1 . 2]" 1
468 1 22 TYR QE 1 79 VAL HA . . 4.700 4.733 4.700 4.769 0.069 11 0 "[ . 1 . 2]" 1
469 1 22 TYR QE 1 25 ILE MD . . 4.600 4.190 3.682 4.607 0.007 11 0 "[ . 1 . 2]" 1
470 1 22 TYR QD 1 25 ILE MD . . 4.700 3.392 2.690 3.950 . 0 0 "[ . 1 . 2]" 1
471 1 22 TYR QE 1 83 LEU MD1 . . 4.600 4.602 4.425 4.645 0.045 3 0 "[ . 1 . 2]" 1
472 1 22 TYR QE 1 79 VAL MG1 . . 4.700 3.124 2.179 4.582 . 0 0 "[ . 1 . 2]" 1
473 1 22 TYR QD 1 79 VAL MG1 . . 4.800 2.814 2.042 3.970 . 0 0 "[ . 1 . 2]" 1
474 1 32 GLU HA 1 40 TYR QD . . 4.200 4.237 3.980 4.347 0.147 8 0 "[ . 1 . 2]" 1
475 1 40 TYR QD 1 83 LEU MD1 . . 3.800 2.406 1.950 2.873 . 0 0 "[ . 1 . 2]" 1
476 1 39 THR HA 1 40 TYR QD . . 4.300 3.394 2.997 3.717 . 0 0 "[ . 1 . 2]" 1
477 1 40 TYR QD 1 83 LEU MD2 . . 4.400 3.960 2.422 4.514 0.114 19 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 6
_Distance_constraint_stats_list.Viol_count 1
_Distance_constraint_stats_list.Viol_total 0.118
_Distance_constraint_stats_list.Viol_max 0.006
_Distance_constraint_stats_list.Viol_rms 0.0005
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0059
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 33 CYS 0.006 0.006 17 0 "[ . 1 . 2]"
1 36 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 CYS 0.006 0.006 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 33 CYS SG 1 88 CYS SG . . 3.950 3.830 3.814 3.872 . 0 0 "[ . 1 . 2]" 2
2 1 33 CYS SG 1 91 CYS SG . . 3.950 3.842 3.820 3.956 0.006 17 0 "[ . 1 . 2]" 2
3 1 88 CYS SG 1 91 CYS SG . . 3.950 3.829 3.818 3.836 . 0 0 "[ . 1 . 2]" 2
4 1 33 CYS SG 1 36 HIS NE2 . . 3.950 3.843 3.787 3.896 . 0 0 "[ . 1 . 2]" 2
5 1 36 HIS NE2 1 88 CYS SG . . 3.950 3.839 3.805 3.948 . 0 0 "[ . 1 . 2]" 2
6 1 36 HIS NE2 1 91 CYS SG . . 3.950 3.819 3.798 3.838 . 0 0 "[ . 1 . 2]" 2
stop_
save_
Contact the webmaster for help, if required. Monday, May 20, 2024 12:08:50 PM GMT (wattos1)